#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqj n GLU 22 N 0.00 -0.55 -1.31 5.55 4.07 -1.26 -4.34 120.64 122.80 1aqj n GLU 22 Ca 0.00 0.57 -0.61 0.00 -0.06 0.00 0.00 57.16 57.07 1aqj n GLU 22 Cb 0.00 -0.42 -0.12 0.00 -0.06 0.00 0.00 31.44 30.84 1aqj n GLU 22 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1aqj n THR 23 N 1.60 0.00 -1.70 6.31 -1.04 -1.26 -4.87 114.28 113.32 1aqj n THR 23 Ca 0.00 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1aqj n THR 23 Cb 0.05 -0.52 0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1aqj n THR 23 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1aqj n PRO 24 N 7.12 1.61 -0.30 -2.82 -0.02 -1.26 -4.74 135.00 134.59 1aqj n PRO 24 Ca 0.52 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.71 1aqj n PRO 24 Cb -0.04 -2.41 0.29 0.00 -0.02 0.00 0.00 33.50 31.32 1aqj n PRO 24 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1aqj h PRO 25 N 1.48 0.37 0.00 0.52 0.13 -1.99 0.78 132.00 133.28 1aqj h PRO 25 Ca -0.49 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1aqj h PRO 25 Cb 1.31 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1aqj h PRO 25 CO 0.57 0.24 -0.20 1.05 -0.23 0.00 0.00 178.00 179.43 1aqj h GLU 26 N 0.38 0.00 -0.03 0.86 9.09 -1.95 0.27 114.58 123.20 1aqj h GLU 26 Ca 0.54 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.88 1aqj h GLU 26 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 1aqj h GLU 26 CO -0.53 0.20 -0.27 0.28 0.05 0.00 0.00 179.01 178.74 1aqj h VAL 27 N 0.00 1.48 -0.99 -1.06 2.07 -1.21 -1.95 116.25 114.59 1aqj h VAL 27 Ca -0.00 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 65.77 1aqj h VAL 27 Cb 0.46 2.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 1aqj h VAL 27 CO 0.03 0.50 0.65 0.58 0.02 0.00 0.00 177.57 179.34 1aqj h VAL 28 N -0.34 1.16 -0.66 2.57 2.07 -0.94 -0.64 116.25 119.47 1aqj h VAL 28 Ca -0.02 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1aqj h VAL 28 Cb 0.96 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1aqj h VAL 28 CO 0.05 0.23 0.28 0.44 0.02 0.00 0.00 177.57 178.59 1aqj h ASP 29 N 1.24 0.89 -0.17 0.57 3.32 -0.95 -1.49 116.42 119.82 1aqj h ASP 29 Ca 0.40 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1aqj h ASP 29 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1aqj h ASP 29 CO -0.13 0.80 0.09 0.15 -1.72 0.00 0.00 179.24 178.43 1aqj h PHE 30 N 0.92 0.23 -0.16 4.55 3.57 -0.43 -2.46 116.94 123.17 1aqj h PHE 30 Ca 0.22 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1aqj h PHE 30 Cb 0.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1aqj h PHE 30 CO 0.01 0.23 -0.20 0.52 -2.23 0.00 0.00 178.31 176.64 1aqj h MET 31 N 0.17 0.27 0.00 1.11 2.86 -1.03 -2.67 114.93 115.65 1aqj h MET 31 Ca 0.06 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1aqj h MET 31 Cb 0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1aqj h MET 31 CO -0.01 0.46 -0.52 0.28 1.06 0.00 0.00 176.91 178.19 1aqj h VAL 32 N 0.25 1.21 0.00 -2.22 2.07 -1.11 -2.07 116.25 114.38 1aqj h VAL 32 Ca 0.05 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1aqj h VAL 32 Cb 0.49 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1aqj h VAL 32 CO 0.03 0.51 0.00 -1.54 0.02 0.00 0.00 177.57 176.59 1aqj n SER 33 N -3.70 0.34 -0.06 0.57 3.41 -0.94 -2.44 113.62 110.80 1aqj n SER 33 Ca -0.01 0.55 -0.02 0.00 -0.26 0.00 0.00 58.87 59.14 1aqj n SER 33 Cb 0.57 -0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 63.73 1aqj n SER 33 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1aqj n LEU 34 N -1.84 0.00 -4.75 1.04 4.77 -1.09 -4.98 117.00 110.15 1aqj n LEU 34 Ca 0.05 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.67 1aqj n LEU 34 Cb 0.29 0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1aqj n LEU 34 CO 0.23 0.30 0.83 0.00 -1.33 0.00 0.00 177.39 177.41 1aqj s ALA 35 N -2.85 2.50 -0.10 -1.18 0.00 -0.80 -5.04 121.76 114.29 1aqj s ALA 35 Ca -0.09 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1aqj s ALA 35 Cb 0.09 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.85 1aqj s ALA 35 CO 0.82 -1.23 0.74 -2.00 0.00 0.00 0.00 175.76 174.09 1aqj s GLU 36 N -3.44 0.95 -0.22 0.00 2.12 -1.26 -4.98 118.70 111.86 1aqj s GLU 36 Ca 0.76 0.36 -0.27 0.00 0.36 0.00 0.00 54.97 56.18 1aqj s GLU 36 Cb -0.29 0.45 0.10 0.00 0.26 0.00 0.00 34.13 34.64 1aqj s GLU 36 CO 0.35 -0.27 0.86 0.00 -0.54 0.00 0.00 175.26 175.66 1aqj s ALA 37 N -0.91 -1.87 0.75 6.30 0.00 -1.26 -4.67 121.76 120.10 1aqj s ALA 37 Ca -0.08 1.80 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 1aqj s ALA 37 Cb -0.01 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.15 1aqj s ALA 37 CO 0.07 -0.30 1.11 -1.25 0.00 0.00 0.00 175.76 175.39 1aqj s PRO 38 N -0.14 2.26 0.06 0.00 0.04 -1.26 -4.88 135.00 131.08 1aqj s PRO 38 Ca -0.01 1.30 -0.36 0.00 0.04 0.00 0.00 61.00 61.97 1aqj s PRO 38 Cb -0.04 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.46 1aqj s PRO 38 CO 0.00 -1.65 1.53 -2.13 0.04 0.00 0.00 177.00 174.78 1aqj n ARG 39 N -3.26 1.62 -0.94 4.56 3.00 -1.26 -0.11 116.66 120.27 1aqj n ARG 39 Ca 0.10 0.59 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 1aqj n ARG 39 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.68 1aqj n ARG 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aqj n GLY 40 N 3.22 0.60 3.75 5.14 0.00 0.40 -4.99 105.19 113.31 1aqj n GLY 40 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1aqj n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqj s GLY 41 N -2.00 1.82 -0.18 -0.02 0.00 0.85 -4.11 107.32 103.68 1aqj s GLY 41 Ca 0.00 0.41 -0.25 0.00 0.00 0.00 0.00 44.72 44.88 1aqj s GLY 41 CO 0.00 0.78 0.83 0.50 0.00 0.00 0.00 173.10 175.21 1aqj s ARG 42 N -4.63 4.28 -0.13 2.90 0.52 -1.26 -0.34 118.95 120.29 1aqj s ARG 42 Ca 0.64 1.01 -0.00 0.00 -0.52 0.00 0.00 55.73 56.86 1aqj s ARG 42 Cb -0.19 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 1aqj s ARG 42 CO 0.53 -0.35 -0.12 0.08 0.02 0.00 0.00 175.30 175.45 1aqj s VAL 43 N 2.25 3.17 -0.00 3.52 1.01 0.24 -2.23 120.40 128.35 1aqj s VAL 43 Ca 0.38 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1aqj s VAL 43 Cb -0.16 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1aqj s VAL 43 CO 0.12 0.53 -0.15 -0.22 0.00 0.00 0.00 175.10 175.38 1aqj s LEU 44 N 0.26 2.06 -0.29 3.92 2.96 -0.66 -0.63 118.68 126.29 1aqj s LEU 44 Ca -0.08 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1aqj s LEU 44 Cb -0.15 -0.73 0.09 0.00 0.50 0.00 0.00 46.19 45.89 1aqj s LEU 44 CO 0.05 0.15 0.03 -0.70 -1.32 0.00 0.00 176.35 174.57 1aqj s GLU 45 N -0.50 1.25 0.36 1.98 2.12 -0.72 -1.39 118.70 121.80 1aqj s GLU 45 Ca 0.05 -1.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.83 1aqj s GLU 45 Cb -0.06 -2.58 -0.09 0.00 0.26 0.00 0.00 34.13 31.66 1aqj s GLU 45 CO -0.00 -0.84 1.04 -1.25 -0.54 0.00 0.00 175.26 173.66 1aqj s PRO 46 N 1.32 4.34 -1.45 4.30 0.04 -1.24 -2.42 135.00 139.89 1aqj s PRO 46 Ca 0.05 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1aqj s PRO 46 Cb -0.18 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.66 1aqj s PRO 46 CO -0.13 0.01 0.95 0.00 0.04 0.00 0.00 177.00 177.87 1aqj n ALA 47 N 0.30 -1.19 -0.07 8.56 0.00 0.94 -4.59 120.51 124.46 1aqj n ALA 47 Ca 0.03 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1aqj n ALA 47 Cb 0.49 -4.78 -0.02 0.00 0.00 0.00 0.00 19.45 15.13 1aqj n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqj n ALA 49 N -2.19 0.00 -0.62 0.00 0.00 -1.26 -1.80 120.51 114.64 1aqj n ALA 49 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1aqj n ALA 49 Cb 0.04 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.85 1aqj n ALA 49 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1aqj n HIS 50 N 0.00 1.67 -3.43 0.00 -0.00 -1.24 -1.30 115.22 110.91 1aqj n HIS 50 Ca 0.00 -0.62 -0.18 0.00 -0.00 0.00 0.00 57.72 56.93 1aqj n HIS 50 Cb 0.00 -0.35 0.08 0.00 -0.00 0.00 0.00 29.99 29.72 1aqj n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1aqj n GLY 51 N 0.88 -0.57 0.28 -1.39 0.00 -0.74 -4.64 105.19 99.00 1aqj n GLY 51 Ca 0.25 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.62 1aqj n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqj h PRO 52 N -1.69 0.00 0.08 1.61 0.13 -1.94 -2.29 132.00 127.90 1aqj h PRO 52 Ca -0.60 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.23 1aqj h PRO 52 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1aqj h PRO 52 CO 0.49 0.00 -1.56 0.74 -0.23 0.00 0.00 178.00 177.45 1aqj h PHE 53 N 0.00 0.31 -0.33 1.56 -1.00 -1.92 -2.96 116.94 112.60 1aqj h PHE 53 Ca 0.01 -0.23 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 1aqj h PHE 53 Cb 0.07 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 1aqj h PHE 53 CO 0.00 1.30 0.18 -0.07 -1.61 0.00 0.00 178.31 178.11 1aqj h LEU 54 N 0.05 0.42 0.82 1.54 4.07 -1.87 0.11 115.31 120.43 1aqj h LEU 54 Ca -0.24 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 1aqj h LEU 54 Cb 1.99 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 43.63 1aqj h LEU 54 CO 0.13 0.38 -0.39 0.03 -1.08 0.00 0.00 178.44 177.51 1aqj h ARG 55 N 0.42 -1.06 -0.69 1.13 3.08 -1.55 -1.44 114.38 114.28 1aqj h ARG 55 Ca 0.12 0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.38 1aqj h ARG 55 Cb 0.06 0.24 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 1aqj h ARG 55 CO -0.02 -0.70 0.13 0.00 -1.07 0.00 0.00 179.97 178.31 1aqj h ALA 56 N -1.45 0.83 0.54 0.04 0.00 -1.48 0.30 119.26 118.05 1aqj h ALA 56 Ca -0.11 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1aqj h ALA 56 Cb 0.84 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1aqj h ALA 56 CO 0.18 -0.34 -0.29 0.35 0.00 0.00 0.00 179.25 179.16 1aqj h PHE 57 N 0.24 -0.75 -0.77 0.00 3.57 -0.75 -2.32 116.94 116.17 1aqj h PHE 57 Ca 0.38 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.97 1aqj h PHE 57 Cb 0.62 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 39.54 1aqj h PHE 57 CO -0.28 -0.45 0.39 -0.09 -2.23 0.00 0.00 178.31 175.65 1aqj h ARG 58 N -0.76 0.61 0.00 1.11 2.43 -0.53 0.74 114.38 117.97 1aqj h ARG 58 Ca -0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1aqj h ARG 58 Cb 0.60 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1aqj h ARG 58 CO 0.10 0.40 0.00 -1.91 -1.51 0.00 0.00 179.97 177.05 1aqj n GLU 59 N -4.85 0.59 0.00 0.20 2.13 0.97 -1.49 120.64 118.19 1aqj n GLU 59 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1aqj n GLU 59 Cb 0.32 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1aqj n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1aqj n ALA 60 N -0.71 0.96 0.53 4.31 0.00 -0.09 -4.89 120.51 120.62 1aqj n ALA 60 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1aqj n ALA 60 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 1aqj n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aqj n HIS 61 N -0.53 0.00 0.00 0.00 8.25 0.24 -5.09 115.22 118.09 1aqj n HIS 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1aqj n HIS 61 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1aqj n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aqj n GLY 62 N 1.03 1.16 0.07 -1.41 0.00 -0.55 -4.81 105.19 100.68 1aqj n GLY 62 Ca 0.04 -2.22 0.09 0.00 0.00 0.00 0.00 46.02 43.93 1aqj n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aqj n THR 63 N -0.56 0.00 -1.01 2.61 -2.24 -1.26 -4.21 114.28 107.62 1aqj n THR 63 Ca 0.00 -0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 1aqj n THR 63 Cb 0.00 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1aqj n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqj n GLY 64 N 1.41 3.53 3.40 3.38 0.00 -1.26 -4.82 105.19 110.83 1aqj n GLY 64 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1aqj n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqj s TYR 65 N 2.46 0.91 -0.31 1.61 2.02 -1.26 0.15 117.35 122.93 1aqj s TYR 65 Ca 0.56 -1.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.03 1aqj s TYR 65 Cb 0.17 -0.21 0.01 0.00 -0.40 0.00 0.00 41.96 41.53 1aqj s TYR 65 CO -0.04 -0.88 0.10 0.50 -1.57 0.00 0.00 175.55 173.66 1aqj s ARG 66 N -3.83 3.05 -0.20 -0.62 3.00 0.54 -4.91 118.95 115.97 1aqj s ARG 66 Ca 0.32 -0.90 -0.10 0.00 -1.00 0.00 0.00 55.73 54.05 1aqj s ARG 66 Cb 0.02 -3.43 -0.05 0.00 0.00 0.00 0.00 34.95 31.49 1aqj s ARG 66 CO 0.14 -0.49 0.12 -0.06 0.00 0.00 0.00 175.30 175.02 1aqj s PHE 67 N 1.51 3.39 -0.01 5.12 0.08 -1.26 0.81 117.98 127.62 1aqj s PHE 67 Ca 0.02 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.39 1aqj s PHE 67 Cb -0.18 -2.15 -0.00 0.00 -0.57 0.00 0.00 43.02 40.12 1aqj s PHE 67 CO 0.03 0.27 -0.08 0.08 -0.10 0.00 0.00 175.22 175.43 1aqj s VAL 68 N 0.38 0.61 -0.05 -0.44 1.01 0.19 -0.67 120.40 121.44 1aqj s VAL 68 Ca 0.07 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1aqj s VAL 68 Cb -0.11 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1aqj s VAL 68 CO -0.02 0.18 -0.11 -0.83 0.00 0.00 0.00 175.10 174.32 1aqj s GLY 69 N -0.10 0.70 -0.22 4.51 0.00 0.08 -1.76 107.32 110.53 1aqj s GLY 69 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 44.72 44.32 1aqj s GLY 69 CO -0.00 0.05 -0.02 0.14 0.00 0.00 0.00 173.10 173.26 1aqj s VAL 70 N 0.49 3.60 -0.00 1.40 1.01 -1.02 0.18 120.40 126.06 1aqj s VAL 70 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1aqj s VAL 70 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1aqj s VAL 70 CO 0.02 0.41 -0.01 -0.70 0.00 0.00 0.00 175.10 174.83 1aqj s GLU 71 N 1.39 0.10 0.01 2.72 2.56 0.10 -0.04 118.70 125.55 1aqj s GLU 71 Ca 0.05 -0.03 0.19 0.00 0.00 0.00 0.00 54.97 55.17 1aqj s GLU 71 Cb -0.14 -0.11 -0.18 0.00 2.00 0.00 0.00 34.13 35.69 1aqj s GLU 71 CO -0.01 0.02 0.65 1.51 -0.56 0.00 0.00 175.26 176.86 1aqj n ILE 72 N 3.11 0.91 -3.13 -3.70 3.06 -1.14 -0.47 119.36 118.01 1aqj n ILE 72 Ca -0.13 -0.66 -0.43 0.00 -2.50 0.00 0.00 62.75 59.02 1aqj n ILE 72 Cb 0.59 -0.49 -0.07 0.00 0.54 0.00 0.00 39.64 40.21 1aqj n ILE 72 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1aqj s ASP 73 N -5.42 6.28 0.44 9.51 -1.08 -1.26 -4.76 116.67 120.39 1aqj s ASP 73 Ca -0.05 -0.54 0.13 0.00 -0.52 0.00 0.00 52.55 51.57 1aqj s ASP 73 Cb 0.09 -2.31 1.04 0.00 -1.46 0.00 0.00 42.92 40.29 1aqj s ASP 73 CO 0.83 -0.82 2.02 -0.65 0.52 0.00 0.00 175.17 177.07 1aqj h PRO 74 N 8.92 0.36 0.00 4.34 0.11 -1.95 0.18 132.00 143.96 1aqj h PRO 74 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1aqj h PRO 74 Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1aqj h PRO 74 CO 0.92 0.24 0.00 0.87 -0.21 0.00 0.00 178.00 179.81 1aqj h LYS 75 N 0.37 0.00 0.00 1.05 1.79 -2.00 -3.28 116.57 114.50 1aqj h LYS 75 Ca 0.22 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.40 1aqj h LYS 75 Cb 0.38 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 1aqj h LYS 75 CO -0.05 0.00 -1.86 0.00 -1.08 0.00 0.00 179.45 176.46 1aqj n ALA 76 N -2.02 1.62 -1.94 3.86 0.00 -0.00 -4.86 120.51 117.17 1aqj n ALA 76 Ca 0.03 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 1aqj n ALA 76 Cb 0.42 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1aqj n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1aqj s LEU 77 N -5.81 3.48 -0.45 0.00 2.96 -0.89 -3.71 118.68 114.26 1aqj s LEU 77 Ca -0.06 1.28 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1aqj s LEU 77 Cb 0.08 -3.39 0.21 0.00 0.50 0.00 0.00 46.19 43.58 1aqj s LEU 77 CO 0.83 -1.83 0.46 -0.67 -1.32 0.00 0.00 176.35 173.81 1aqj n ASP 78 N 10.84 0.42 -4.86 3.68 2.03 -0.42 -4.95 116.55 123.29 1aqj n ASP 78 Ca 0.24 -2.66 -0.32 0.00 0.52 0.00 0.00 54.79 52.57 1aqj n ASP 78 Cb 0.47 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.21 1aqj n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1aqj s LEU 79 N -0.77 4.16 0.65 -2.67 1.43 -1.26 -4.26 118.68 115.96 1aqj s LEU 79 Ca 0.34 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 1aqj s LEU 79 Cb 0.09 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 1aqj s LEU 79 CO -0.15 0.21 1.10 -2.84 0.23 0.00 0.00 176.35 174.91 1aqj s PRO 80 N -2.21 2.86 0.62 1.29 0.02 -1.26 -4.92 135.00 131.40 1aqj s PRO 80 Ca 0.30 1.37 0.27 0.00 0.02 0.00 0.00 61.00 62.96 1aqj s PRO 80 Cb -0.13 -1.96 1.41 0.00 0.02 0.00 0.00 34.50 33.84 1aqj s PRO 80 CO 0.22 -1.20 1.81 -1.35 -0.33 0.00 0.00 177.00 176.15 1aqj h PRO 81 N 0.07 0.00 -0.00 5.54 0.11 -2.04 0.17 132.00 135.84 1aqj h PRO 81 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aqj h PRO 81 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aqj h PRO 81 CO 0.54 0.00 -0.04 -2.67 -0.21 0.00 0.00 178.00 175.63 1aqj n TRP 82 N -3.30 0.00 -4.32 0.65 4.27 -1.26 -4.82 117.44 108.66 1aqj n TRP 82 Ca 0.05 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.33 1aqj n TRP 82 Cb 0.63 -0.45 -0.09 0.00 -1.36 0.00 0.00 31.31 30.05 1aqj n TRP 82 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1aqj s ALA 83 N -2.93 3.24 -0.45 -1.67 0.00 0.04 -4.54 121.76 115.45 1aqj s ALA 83 Ca 0.16 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1aqj s ALA 83 Cb 0.19 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 22.03 1aqj s ALA 83 CO 0.53 0.64 0.51 -2.00 0.00 0.00 0.00 175.76 175.44 1aqj s GLU 84 N -1.50 3.11 -0.15 0.00 2.12 0.15 -4.81 118.70 117.63 1aqj s GLU 84 Ca 0.19 -0.81 -0.21 0.00 0.36 0.00 0.00 54.97 54.50 1aqj s GLU 84 Cb -0.11 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.23 1aqj s GLU 84 CO 0.09 -0.99 0.61 0.20 -0.54 0.00 0.00 175.26 174.64 1aqj s GLY 85 N 2.15 2.27 -0.21 -1.50 0.00 -1.26 -0.74 107.32 108.03 1aqj s GLY 85 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 1aqj s GLY 85 CO 0.13 1.15 -0.08 -0.42 0.00 0.00 0.00 173.10 173.88 1aqj s ILE 86 N 1.33 3.07 -0.63 0.90 1.01 0.48 -4.91 121.20 122.46 1aqj s ILE 86 Ca 0.30 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 60.14 1aqj s ILE 86 Cb -0.16 -2.38 0.08 0.00 0.01 0.00 0.00 42.46 40.01 1aqj s ILE 86 CO 0.12 0.45 0.86 -0.22 0.00 0.00 0.00 174.94 176.15 1aqj s LEU 87 N 1.41 4.74 0.21 2.97 2.96 -1.25 -0.72 118.68 129.00 1aqj s LEU 87 Ca 0.05 -1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 52.63 1aqj s LEU 87 Cb -0.14 -2.40 0.06 0.00 0.50 0.00 0.00 46.19 44.21 1aqj s LEU 87 CO -0.05 -1.30 0.94 0.00 -1.32 0.00 0.00 176.35 174.61 1aqj s ALA 88 N 3.53 -1.46 -0.55 5.97 0.00 0.38 -4.93 121.76 124.70 1aqj s ALA 88 Ca 0.19 -0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 1aqj s ALA 88 Cb -0.19 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1aqj s ALA 88 CO 0.09 -1.04 0.80 0.34 0.00 0.00 0.00 175.76 175.95 1aqj s ASP 89 N -3.10 6.26 0.32 0.00 2.15 -1.26 -2.86 116.67 118.18 1aqj s ASP 89 Ca 0.16 -0.71 0.09 0.00 0.43 0.00 0.00 52.55 52.52 1aqj s ASP 89 Cb -0.03 -2.37 0.91 0.00 -0.30 0.00 0.00 42.92 41.14 1aqj s ASP 89 CO 0.05 -1.11 1.66 0.15 -0.17 0.00 0.00 175.17 175.76 1aqj h PHE 90 N 9.20 0.70 0.00 -5.34 3.57 -1.94 0.12 116.94 123.25 1aqj h PHE 90 Ca -0.27 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 1aqj h PHE 90 Cb 1.08 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1aqj h PHE 90 CO 0.85 -0.16 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.65 1aqj h LEU 91 N 0.31 0.00 -1.14 0.59 3.38 -1.95 -2.83 115.31 113.66 1aqj h LEU 91 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1aqj h LEU 91 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1aqj h LEU 91 CO -0.61 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.14 1aqj n LEU 92 N -3.24 1.19 -4.75 1.67 4.77 -0.15 -5.03 117.00 111.46 1aqj n LEU 92 Ca -0.01 -1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 54.58 1aqj n LEU 92 Cb 0.23 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1aqj n LEU 92 CO 0.26 0.28 0.81 0.86 -1.33 0.00 0.00 177.39 178.27 1aqj s TRP 93 N -0.18 2.40 -0.38 -1.77 -0.00 0.22 -4.98 118.94 114.25 1aqj s TRP 93 Ca 0.02 1.54 0.03 0.00 -0.00 0.00 0.00 56.10 57.69 1aqj s TRP 93 Cb 0.02 -3.41 0.16 0.00 -0.00 0.00 0.00 33.47 30.23 1aqj s TRP 93 CO 0.02 -2.13 0.38 -2.00 -0.00 0.00 0.00 176.95 173.22 1aqj s GLU 94 N -3.53 0.69 0.77 5.86 2.56 -1.26 -5.00 118.70 118.78 1aqj s GLU 94 Ca 0.75 -1.07 -0.11 0.00 0.00 0.00 0.00 54.97 54.54 1aqj s GLU 94 Cb -0.28 -0.82 0.06 0.00 2.00 0.00 0.00 34.13 35.09 1aqj s GLU 94 CO 0.35 -1.23 1.14 -1.25 -0.56 0.00 0.00 175.26 173.71 1aqj s PRO 95 N 1.20 2.18 0.00 4.30 0.04 -1.26 -4.96 135.00 136.49 1aqj s PRO 95 Ca 0.20 0.13 0.22 0.00 0.04 0.00 0.00 61.00 61.58 1aqj s PRO 95 Cb -0.13 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1aqj s PRO 95 CO -0.04 -1.43 1.06 0.41 0.04 0.00 0.00 177.00 177.04 1aqj n GLY 96 N -3.20 -0.94 3.89 0.56 0.00 -1.26 -4.93 105.19 99.31 1aqj n GLY 96 Ca 0.08 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1aqj n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqj s GLU 97 N -2.93 3.56 0.01 1.61 -1.05 -1.26 -5.10 118.70 113.53 1aqj s GLU 97 Ca 0.10 -0.13 -0.01 0.00 -0.15 0.00 0.00 54.97 54.78 1aqj s GLU 97 Cb 0.17 -3.06 -0.04 0.00 -0.44 0.00 0.00 34.13 30.76 1aqj s GLU 97 CO 0.79 0.63 0.14 0.00 0.95 0.00 0.00 175.26 177.77 1aqj s ALA 98 N -1.35 3.79 0.23 -0.84 0.00 -1.26 -5.01 121.76 117.32 1aqj s ALA 98 Ca 0.29 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1aqj s ALA 98 Cb -0.13 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1aqj s ALA 98 CO 0.18 0.73 0.27 -0.06 0.00 0.00 0.00 175.76 176.88 1aqj s PHE 99 N -1.30 3.30 -0.15 0.00 0.40 0.51 -4.78 117.98 115.96 1aqj s PHE 99 Ca 0.26 -0.04 -0.08 0.00 -0.60 0.00 0.00 56.93 56.47 1aqj s PHE 99 Cb -0.12 -1.51 -0.24 0.00 0.51 0.00 0.00 43.02 41.66 1aqj s PHE 99 CO 0.18 0.49 0.27 -0.25 0.70 0.00 0.00 175.22 176.61 1aqj n ASP 100 N -1.15 2.07 -3.83 1.36 9.92 -0.95 -1.09 116.55 122.88 1aqj n ASP 100 Ca -0.08 0.22 -0.16 0.00 -0.53 0.00 0.00 54.79 54.23 1aqj n ASP 100 Cb 0.57 -0.84 -0.16 0.00 -0.64 0.00 0.00 41.12 40.05 1aqj n ASP 100 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1aqj s LEU 101 N -7.14 1.28 -0.18 0.64 2.96 -0.98 -0.55 118.68 114.71 1aqj s LEU 101 Ca -0.25 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1aqj s LEU 101 Cb 0.07 -0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.59 1aqj s LEU 101 CO 0.72 -0.08 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.90 1aqj s ILE 102 N 0.87 1.72 0.11 6.68 1.01 0.19 -1.65 121.20 130.13 1aqj s ILE 102 Ca -0.09 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.76 1aqj s ILE 102 Cb -0.12 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1aqj s ILE 102 CO -0.02 0.34 -0.14 -0.76 0.00 0.00 0.00 174.94 174.37 1aqj s LEU 103 N 1.40 2.87 0.00 2.97 1.43 -0.48 -0.49 118.68 126.37 1aqj s LEU 103 Ca 0.02 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1aqj s LEU 103 Cb -0.14 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1aqj s LEU 103 CO -0.10 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1aqj n GLY 104 N 0.78 1.25 2.69 -3.19 0.00 -0.89 -3.71 105.19 102.13 1aqj n GLY 104 Ca -0.15 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1aqj n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aqj s ASN 105 N 0.00 3.80 0.74 1.61 3.04 -1.26 -2.62 114.94 120.25 1aqj s ASN 105 Ca 0.00 -1.94 -0.11 0.00 0.04 0.00 0.00 52.86 50.86 1aqj s ASN 105 Cb 0.00 -0.84 0.04 0.00 -1.54 0.00 0.00 41.25 38.91 1aqj s ASN 105 CO 0.00 -0.37 1.08 -2.16 -3.04 0.00 0.00 177.10 172.61 1aqj s PRO 106 N 1.25 2.52 0.31 0.43 0.04 -1.26 -4.93 135.00 133.36 1aqj s PRO 106 Ca 0.13 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1aqj s PRO 106 Cb -0.20 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1aqj s PRO 106 CO -0.16 -1.43 1.38 -2.14 0.04 0.00 0.00 177.00 174.69 1aqj s PRO 107 N -4.97 4.29 -0.13 0.56 0.02 -1.26 -4.93 135.00 128.58 1aqj s PRO 107 Ca 0.60 2.29 -0.04 0.00 0.02 0.00 0.00 61.00 63.86 1aqj s PRO 107 Cb -0.16 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1aqj s PRO 107 CO 0.56 -0.31 0.02 0.71 -0.33 0.00 0.00 177.00 177.64 1aqj s TYR 108 N -0.72 3.19 0.00 6.54 2.02 -1.26 -2.56 117.35 124.56 1aqj s TYR 108 Ca 0.53 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 1aqj s TYR 108 Cb -0.41 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1aqj s TYR 108 CO 0.51 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 175.18 1aqj n GLY 109 N 2.88 4.01 3.84 0.71 0.00 -1.26 -4.92 105.19 110.45 1aqj n GLY 109 Ca -0.18 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1aqj n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aqj s ILE 110 N -2.00 4.58 0.00 -0.61 -1.09 -1.26 0.42 121.20 121.24 1aqj s ILE 110 Ca 0.00 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1aqj s ILE 110 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1aqj s ILE 110 CO 0.00 -0.23 0.00 0.52 -1.23 0.00 0.00 174.94 174.00 1aqj n VAL 111 N -0.46 0.00 0.00 2.92 0.31 -1.26 -4.92 118.33 114.92 1aqj n VAL 111 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1aqj n VAL 111 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1aqj n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aqj n ALA 124 N -3.00 0.00 0.30 3.52 0.00 -1.26 -5.03 120.51 115.04 1aqj n ALA 124 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1aqj n ALA 124 Cb 0.00 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.36 1aqj n ALA 124 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1aqj h VAL 125 N 0.00 0.17 -0.00 0.00 3.04 -2.05 -2.17 116.25 115.23 1aqj h VAL 125 Ca 0.00 -0.31 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1aqj h VAL 125 Cb 0.00 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1aqj h VAL 125 CO 0.00 0.03 0.00 0.50 -1.01 0.00 0.00 177.57 177.10 1aqj h LYS 126 N 0.00 0.00 -0.39 4.17 3.64 -1.98 0.43 116.57 122.44 1aqj h LYS 126 Ca -0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1aqj h LYS 126 Cb 0.26 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1aqj h LYS 126 CO 0.00 0.05 0.26 -0.44 -2.27 0.00 0.00 179.45 177.06 1aqj h ASP 127 N -0.04 0.38 -0.18 4.20 3.32 -1.82 0.68 116.42 122.95 1aqj h ASP 127 Ca 0.00 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1aqj h ASP 127 Cb 0.05 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1aqj h ASP 127 CO -0.00 0.26 -0.69 0.25 -1.72 0.00 0.00 179.24 177.35 1aqj h LEU 128 N 0.44 0.94 -0.25 1.55 5.85 -1.35 -2.69 115.31 119.80 1aqj h LEU 128 Ca 0.16 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1aqj h LEU 128 Cb 0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1aqj h LEU 128 CO -0.04 1.37 -0.10 1.88 -0.34 0.00 0.00 178.44 181.21 1aqj h TYR 129 N 0.58 0.57 -0.88 1.25 0.05 0.65 -2.22 116.97 116.97 1aqj h TYR 129 Ca -0.03 -0.14 0.16 0.00 0.05 0.00 0.00 58.73 58.78 1aqj h TYR 129 Cb 1.30 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 38.84 1aqj h TYR 129 CO 0.08 0.75 0.57 0.87 -1.05 0.00 0.00 178.16 179.38 1aqj h LYS 130 N 0.23 0.59 0.00 4.88 1.57 0.33 0.13 116.57 124.29 1aqj h LYS 130 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1aqj h LYS 130 Cb 0.59 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1aqj h LYS 130 CO 0.03 0.39 -0.48 1.17 -0.57 0.00 0.00 179.45 179.99 1aqj n LYS 131 N -4.55 0.12 -0.01 3.15 0.00 -1.02 -4.00 118.16 111.84 1aqj n LYS 131 Ca 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 58.31 58.47 1aqj n LYS 131 Cb 0.53 -1.58 -0.12 0.00 0.00 0.00 0.00 35.03 33.85 1aqj n LYS 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aqj n ALA 132 N -1.63 1.68 -3.54 3.14 0.00 0.33 -4.86 120.51 115.63 1aqj n ALA 132 Ca 0.05 -0.76 -0.35 0.00 0.00 0.00 0.00 53.44 52.38 1aqj n ALA 132 Cb 0.38 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 1aqj n ALA 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1aqj s PHE 133 N -2.72 2.93 0.44 0.00 0.08 -0.51 -5.00 117.98 113.20 1aqj s PHE 133 Ca -0.05 -0.99 0.21 0.00 0.12 0.00 0.00 56.93 56.22 1aqj s PHE 133 Cb 0.08 -2.07 1.22 0.00 -0.57 0.00 0.00 43.02 41.68 1aqj s PHE 133 CO 0.82 -0.55 2.03 0.66 -0.10 0.00 0.00 175.22 178.08 1aqj h SER 134 N 8.01 0.00 -0.09 1.36 4.64 -1.89 -2.33 113.55 123.25 1aqj h SER 134 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1aqj h SER 134 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1aqj h SER 134 CO 0.61 0.16 0.00 0.35 -0.87 0.00 0.00 176.83 177.07 1aqj n THR 135 N -3.99 0.10 -2.20 2.95 -2.24 -1.26 -4.86 114.28 102.79 1aqj n THR 135 Ca -0.02 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 1aqj n THR 135 Cb 0.24 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1aqj n THR 135 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aqj s TRP 136 N -1.90 2.33 -0.01 4.78 -0.11 -0.88 -4.38 118.94 118.78 1aqj s TRP 136 Ca 0.35 0.59 0.00 0.00 1.22 0.00 0.00 56.10 58.26 1aqj s TRP 136 Cb 0.19 -3.80 0.01 0.00 -1.50 0.00 0.00 33.47 28.37 1aqj s TRP 136 CO 0.29 -2.79 0.00 0.21 -4.62 0.00 0.00 176.95 170.05 1aqj s LYS 137 N 4.03 0.07 4.89 5.86 2.20 -1.26 -5.06 119.74 130.47 1aqj s LYS 137 Ca 0.66 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1aqj s LYS 137 Cb -0.26 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1aqj s LYS 137 CO 0.24 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 1aqj n GLY 138 N 3.50 1.77 0.17 5.54 0.00 -1.26 -2.16 105.19 112.74 1aqj n GLY 138 Ca -0.18 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.31 1aqj n GLY 138 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aqj h LYS 139 N 0.00 0.00 0.00 1.61 2.10 -1.98 -3.49 116.57 114.81 1aqj h LYS 139 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1aqj h LYS 139 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1aqj h LYS 139 CO 0.00 0.40 0.00 0.98 -2.00 0.00 0.00 179.45 178.83 1aqj n TYR 140 N -3.30 0.00 -3.64 0.07 9.36 -0.92 -4.74 117.16 114.00 1aqj n TYR 140 Ca 0.01 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.14 1aqj n TYR 140 Cb 0.63 0.08 -0.07 0.00 -0.63 0.00 0.00 39.34 39.35 1aqj n TYR 140 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1aqj s ASN 141 N -4.00 -0.46 0.52 2.98 3.84 -1.26 -4.73 114.94 111.82 1aqj s ASN 141 Ca 0.00 0.89 0.28 0.00 0.21 0.00 0.00 52.86 54.23 1aqj s ASN 141 Cb 0.00 0.91 1.40 0.00 -0.55 0.00 0.00 41.25 43.01 1aqj s ASN 141 CO 0.00 -0.15 1.92 -0.07 -2.79 0.00 0.00 177.10 176.01 1aqj h LEU 142 N 4.29 0.05 -1.44 3.21 3.38 -0.28 -0.32 115.31 124.20 1aqj h LEU 142 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1aqj h LEU 142 Cb 1.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1aqj h LEU 142 CO 0.11 0.02 -0.17 0.10 0.09 0.00 0.00 178.44 178.59 1aqj h TYR 143 N 0.05 0.00 -0.27 1.13 -0.00 -1.74 -2.01 116.97 114.13 1aqj h TYR 143 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.95 1aqj h TYR 143 Cb 1.39 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.12 1aqj h TYR 143 CO -0.00 0.17 -0.42 0.78 -0.00 0.00 0.00 178.16 178.69 1aqj h GLY 144 N 1.63 0.82 0.98 0.10 0.00 -1.38 -2.52 103.07 102.69 1aqj h GLY 144 Ca -0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.36 1aqj h GLY 144 CO 0.02 0.83 0.16 0.00 0.00 0.00 0.00 176.54 177.55 1aqj h ALA 145 N 0.67 0.68 -0.93 3.60 0.00 -1.45 -1.74 119.26 120.10 1aqj h ALA 145 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1aqj h ALA 145 Cb 1.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1aqj h ALA 145 CO 0.10 0.35 0.54 0.74 0.00 0.00 0.00 179.25 180.98 1aqj h PHE 146 N 0.72 1.24 0.46 0.00 -1.00 -1.38 -0.61 116.94 116.37 1aqj h PHE 146 Ca 0.17 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 1aqj h PHE 146 Cb 0.29 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1aqj h PHE 146 CO 0.02 0.84 -0.22 -0.07 -1.61 0.00 0.00 178.31 177.26 1aqj h LEU 147 N 1.29 -0.52 -0.35 1.54 3.38 -1.04 0.66 115.31 120.26 1aqj h LEU 147 Ca 0.33 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.33 1aqj h LEU 147 Cb -0.02 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1aqj h LEU 147 CO -0.06 -0.34 0.12 -0.08 0.09 0.00 0.00 178.44 178.18 1aqj h GLU 148 N -0.67 0.26 0.20 1.13 4.81 -1.16 0.14 114.58 119.30 1aqj h GLU 148 Ca -0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1aqj h GLU 148 Cb 0.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1aqj h GLU 148 CO 0.10 0.17 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.24 1aqj h LYS 149 N 0.27 -0.26 -0.64 1.92 1.63 -0.99 -2.29 116.57 116.21 1aqj h LYS 149 Ca 0.16 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.11 1aqj h LYS 149 Cb 0.13 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.71 1aqj h LYS 149 CO -0.16 -0.14 0.01 0.00 -3.45 0.00 0.00 179.45 175.71 1aqj h ALA 150 N 0.50 0.64 0.00 5.00 0.00 0.93 0.26 119.26 126.60 1aqj h ALA 150 Ca -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1aqj h ALA 150 Cb 0.23 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1aqj h ALA 150 CO 0.04 -0.39 -0.13 0.28 0.00 0.00 0.00 179.25 179.05 1aqj h VAL 151 N 0.12 1.05 0.00 0.00 2.07 -0.53 -2.18 116.25 116.78 1aqj h VAL 151 Ca 0.34 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1aqj h VAL 151 Cb 0.55 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1aqj h VAL 151 CO -0.54 0.13 0.00 0.54 0.02 0.00 0.00 177.57 177.72 1aqj n ARG 152 N -4.32 0.26 -0.11 1.57 1.74 0.88 -2.89 116.66 113.79 1aqj n ARG 152 Ca -0.03 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1aqj n ARG 152 Cb 0.20 -1.81 0.22 0.00 -1.02 0.00 0.00 32.46 30.05 1aqj n ARG 152 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1aqj n LEU 153 N -2.27 3.00 -4.75 0.55 4.77 -0.83 -4.90 117.00 112.57 1aqj n LEU 153 Ca 0.05 -1.19 -0.39 0.00 -0.03 0.00 0.00 56.01 54.46 1aqj n LEU 153 Cb 0.42 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1aqj n LEU 153 CO 0.30 0.60 0.29 -0.76 -1.33 0.00 0.00 177.39 176.48 1aqj s LEU 154 N -1.69 4.37 0.56 2.23 1.02 -1.14 0.19 118.68 124.23 1aqj s LEU 154 Ca 0.35 1.10 -0.06 0.00 0.02 0.00 0.00 54.13 55.53 1aqj s LEU 154 Cb 0.21 -2.90 -0.01 0.00 0.02 0.00 0.00 46.19 43.51 1aqj s LEU 154 CO 0.31 0.05 0.88 -1.59 0.02 0.00 0.00 176.35 176.01 1aqj s LYS 155 N 0.13 3.19 -0.01 1.70 -2.85 -0.25 -4.79 119.74 116.86 1aqj s LYS 155 Ca 0.31 0.15 -0.37 0.00 -1.00 0.00 0.00 55.97 55.06 1aqj s LYS 155 Cb -0.17 -2.28 -0.16 0.00 -2.06 0.00 0.00 37.83 33.16 1aqj s LYS 155 CO 0.16 -0.53 1.51 -2.30 0.10 0.00 0.00 175.35 174.29 1aqj n PRO 156 N -2.51 1.36 -0.62 1.78 -0.02 -1.26 0.99 135.00 134.73 1aqj n PRO 156 Ca 0.03 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1aqj n PRO 156 Cb 0.56 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1aqj n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqj n GLY 157 N 3.20 1.01 3.73 -1.23 0.00 -0.41 -5.01 105.19 106.49 1aqj n GLY 157 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1aqj n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqj s GLY 158 N -1.74 2.05 0.01 -0.02 0.00 0.28 -4.59 107.32 103.30 1aqj s GLY 158 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.43 1aqj s GLY 158 CO 0.00 1.01 -0.26 0.14 0.00 0.00 0.00 173.10 173.99 1aqj s VAL 159 N -2.37 2.08 -0.03 1.40 1.01 0.29 -0.55 120.40 122.23 1aqj s VAL 159 Ca 0.69 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1aqj s VAL 159 Cb -0.23 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1aqj s VAL 159 CO 0.49 0.49 -0.14 -0.22 0.00 0.00 0.00 175.10 175.71 1aqj s LEU 160 N -0.86 1.90 -0.19 3.92 0.20 0.96 -0.63 118.68 123.98 1aqj s LEU 160 Ca 0.11 -0.29 -0.03 0.00 0.69 0.00 0.00 54.13 54.60 1aqj s LEU 160 Cb -0.10 -0.81 0.06 0.00 -0.43 0.00 0.00 46.19 44.91 1aqj s LEU 160 CO 0.00 0.14 0.05 -0.69 -0.29 0.00 0.00 176.35 175.56 1aqj s VAL 161 N -0.00 0.36 0.14 1.68 1.01 0.35 -0.40 120.40 123.55 1aqj s VAL 161 Ca -0.02 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1aqj s VAL 161 Cb -0.09 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1aqj s VAL 161 CO 0.01 -0.23 -0.17 -0.36 0.00 0.00 0.00 175.10 174.35 1aqj s PHE 162 N 1.93 1.67 -0.23 5.22 0.40 -0.85 -2.09 117.98 124.03 1aqj s PHE 162 Ca -0.00 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1aqj s PHE 162 Cb -0.17 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.53 1aqj s PHE 162 CO -0.08 0.25 -0.07 0.54 0.70 0.00 0.00 175.22 176.55 1aqj s VAL 163 N -2.00 2.92 0.22 -0.44 0.11 -1.08 -1.12 120.40 119.01 1aqj s VAL 163 Ca 0.12 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1aqj s VAL 163 Cb -0.06 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 1aqj s VAL 163 CO 0.05 0.32 0.13 0.68 -3.33 0.00 0.00 175.10 172.95 1aqj s VAL 164 N 1.37 0.07 0.76 2.04 -7.23 -0.39 -4.33 120.40 112.70 1aqj s VAL 164 Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1aqj s VAL 164 Cb -0.15 -2.52 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1aqj s VAL 164 CO -0.05 0.00 1.09 -2.84 -0.31 0.00 0.00 175.10 172.98 1aqj s PRO 165 N -4.10 2.33 0.00 4.82 0.02 -1.26 -0.72 135.00 136.09 1aqj s PRO 165 Ca 0.39 1.14 0.20 0.00 0.02 0.00 0.00 61.00 62.75 1aqj s PRO 165 Cb 0.07 -1.91 0.86 0.00 0.02 0.00 0.00 34.50 33.54 1aqj s PRO 165 CO 0.13 -1.58 1.60 0.00 -0.33 0.00 0.00 177.00 176.82 1aqj n ALA 166 N -3.48 2.55 -0.26 -1.55 0.00 -0.51 -4.24 120.51 113.02 1aqj n ALA 166 Ca 0.09 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.15 1aqj n ALA 166 Cb 0.53 -1.16 0.22 0.00 0.00 0.00 0.00 19.45 19.05 1aqj n ALA 166 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aqj h THR 167 N 1.49 1.17 0.00 0.00 1.35 -1.84 -1.82 112.91 113.26 1aqj h THR 167 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1aqj h THR 167 Cb 0.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1aqj h THR 167 CO 0.00 0.20 0.00 -2.67 -0.25 0.00 0.00 175.52 172.80 1aqj n TRP 168 N -4.43 0.31 -0.01 4.73 4.27 -1.26 -1.45 117.44 119.59 1aqj n TRP 168 Ca 0.10 0.15 -0.15 0.00 -3.89 0.00 0.00 57.50 53.71 1aqj n TRP 168 Cb 0.07 -0.74 -0.04 0.00 -1.36 0.00 0.00 31.31 29.24 1aqj n TRP 168 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1aqj h LEU 169 N 0.00 0.84 0.00 5.67 3.38 -1.65 -3.40 115.31 120.15 1aqj h LEU 169 Ca 0.00 -0.53 -0.15 0.00 0.09 0.00 0.00 57.88 57.30 1aqj h LEU 169 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1aqj h LEU 169 CO 0.00 1.31 -1.55 1.33 0.09 0.00 0.00 178.44 179.62 1aqj n VAL 170 N -3.93 0.56 -1.67 1.22 0.24 -0.91 -1.94 118.33 111.89 1aqj n VAL 170 Ca -0.06 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.34 61.59 1aqj n VAL 170 Cb 0.71 -0.83 0.04 0.00 -1.47 0.00 0.00 33.84 32.29 1aqj n VAL 170 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1aqj n LEU 171 N -2.59 4.29 0.02 1.34 4.77 -0.53 -4.95 117.00 119.34 1aqj n LEU 171 Ca -0.16 0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 56.66 1aqj n LEU 171 Cb 0.71 -1.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.38 1aqj n LEU 171 CO 0.13 -1.18 0.44 -0.08 -1.33 0.00 0.00 177.39 175.36 1aqj h GLU 172 N 1.17 0.53 0.00 3.23 4.57 -1.94 -3.10 114.58 119.03 1aqj h GLU 172 Ca -0.49 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.33 1aqj h GLU 172 Cb 1.33 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 1aqj h GLU 172 CO 0.55 0.98 0.00 -0.25 -1.18 0.00 0.00 179.01 179.11 1aqj n ASP 173 N -3.93 0.63 -1.32 1.04 8.00 -1.26 -1.54 116.55 118.17 1aqj n ASP 173 Ca -0.04 0.74 0.10 0.00 0.71 0.00 0.00 54.79 56.30 1aqj n ASP 173 Cb 0.64 -0.84 0.31 0.00 -0.02 0.00 0.00 41.12 41.20 1aqj n ASP 173 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1aqj n PHE 174 N -2.29 1.13 -0.14 1.24 3.72 -1.17 -4.18 117.46 115.76 1aqj n PHE 174 Ca -0.00 -0.57 -0.05 0.00 -0.05 0.00 0.00 57.45 56.77 1aqj n PHE 174 Cb 0.10 -0.13 0.13 0.00 -0.94 0.00 0.00 39.48 38.63 1aqj n PHE 174 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aqj h ALA 175 N 3.69 1.04 -0.33 4.37 0.00 -1.41 -1.22 119.26 125.41 1aqj h ALA 175 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1aqj h ALA 175 Cb 1.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1aqj h ALA 175 CO 0.12 0.60 -0.48 -0.07 0.00 0.00 0.00 179.25 179.42 1aqj h LEU 176 N 0.81 0.99 -0.33 0.00 3.38 -1.81 -2.83 115.31 115.52 1aqj h LEU 176 Ca 0.16 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1aqj h LEU 176 Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1aqj h LEU 176 CO 0.02 1.30 0.20 0.25 0.09 0.00 0.00 178.44 180.30 1aqj h LEU 177 N 0.71 0.40 -1.34 1.67 5.85 -1.69 0.21 115.31 121.12 1aqj h LEU 177 Ca 0.03 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1aqj h LEU 177 Cb 1.08 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1aqj h LEU 177 CO 0.11 0.33 0.50 0.03 -0.34 0.00 0.00 178.44 179.07 1aqj h ARG 178 N 0.43 0.77 -0.03 1.25 3.08 -1.21 0.21 114.38 118.89 1aqj h ARG 178 Ca 0.12 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.88 1aqj h ARG 178 Cb 0.01 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 29.90 1aqj h ARG 178 CO -0.02 0.51 -0.91 0.93 -1.07 0.00 0.00 179.97 179.41 1aqj h GLU 179 N 0.80 0.66 0.25 0.04 5.08 -1.14 -1.89 114.58 118.38 1aqj h GLU 179 Ca 0.33 -0.68 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1aqj h GLU 179 Cb 0.26 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1aqj h GLU 179 CO -0.11 1.27 -0.38 0.35 -1.00 0.00 0.00 179.01 179.14 1aqj h PHE 180 N 0.32 -1.04 -0.54 4.33 3.57 0.28 0.11 116.94 123.97 1aqj h PHE 180 Ca -0.11 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1aqj h PHE 180 Cb 1.57 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 40.69 1aqj h PHE 180 CO 0.11 -0.51 0.27 -0.07 -2.23 0.00 0.00 178.31 175.88 1aqj h LEU 181 N -0.70 0.38 -1.54 0.59 4.07 -0.66 0.13 115.31 117.57 1aqj h LEU 181 Ca -0.00 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1aqj h LEU 181 Cb 0.67 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1aqj h LEU 181 CO -0.14 0.26 -0.23 0.00 -1.08 0.00 0.00 178.44 177.24 1aqj h ALA 182 N 1.30 1.33 0.19 1.53 0.00 -1.05 -2.41 119.26 120.15 1aqj h ALA 182 Ca 0.24 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1aqj h ALA 182 Cb 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1aqj h ALA 182 CO -0.18 0.29 -1.49 -0.09 0.00 0.00 0.00 179.25 177.78 1aqj h ARG 183 N 0.00 0.40 0.00 0.00 2.43 0.17 -3.38 114.38 113.99 1aqj h ARG 183 Ca -0.00 -0.68 -0.16 0.00 -0.81 0.00 0.00 59.98 58.33 1aqj h ARG 183 Cb 0.50 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1aqj h ARG 183 CO 0.03 1.33 -0.75 0.93 -1.51 0.00 0.00 179.97 180.00 1aqj h GLU 184 N -0.02 0.00 0.00 0.20 4.39 -0.67 -3.47 114.58 115.01 1aqj h GLU 184 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1aqj h GLU 184 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1aqj h GLU 184 CO 0.18 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 179.19 1aqj n GLY 185 N 0.71 1.69 3.70 -3.84 0.00 -0.92 -3.98 105.19 102.56 1aqj n GLY 185 Ca -0.01 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1aqj n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aqj s LYS 186 N 1.43 4.19 -0.07 1.61 2.47 -0.76 -3.20 119.74 125.40 1aqj s LYS 186 Ca 0.00 -0.04 0.05 0.00 -1.56 0.00 0.00 55.97 54.42 1aqj s LYS 186 Cb 0.00 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.90 1aqj s LYS 186 CO 0.00 0.17 -0.23 0.99 0.16 0.00 0.00 175.35 176.44 1aqj s THR 187 N 0.71 1.93 -0.11 3.43 2.01 -0.75 -1.55 115.64 121.31 1aqj s THR 187 Ca 0.13 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1aqj s THR 187 Cb -0.13 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.73 1aqj s THR 187 CO 0.03 0.54 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.83 1aqj s SER 188 N 0.05 3.17 -0.21 3.53 0.01 -0.30 -2.01 113.70 117.94 1aqj s SER 188 Ca -0.09 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 1aqj s SER 188 Cb -0.15 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.65 1aqj s SER 188 CO 0.05 0.14 -0.08 -0.69 0.41 0.00 0.00 173.24 173.07 1aqj s VAL 189 N 0.47 2.97 -0.30 3.43 1.01 -0.30 -1.11 120.40 126.56 1aqj s VAL 189 Ca -0.15 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1aqj s VAL 189 Cb -0.17 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1aqj s VAL 189 CO 0.06 0.42 0.10 -0.31 0.00 0.00 0.00 175.10 175.37 1aqj s TYR 190 N 1.41 3.15 -0.25 5.22 1.51 0.54 -0.28 117.35 128.65 1aqj s TYR 190 Ca 0.05 -0.81 -0.29 0.00 -1.01 0.00 0.00 57.07 55.01 1aqj s TYR 190 Cb -0.14 -2.28 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 1aqj s TYR 190 CO -0.06 -0.52 1.19 -0.47 -1.11 0.00 0.00 175.55 174.58 1aqj s TYR 191 N 1.54 2.96 -0.23 2.71 5.04 -0.43 -0.56 117.35 128.38 1aqj s TYR 191 Ca 0.04 1.09 -0.04 0.00 -2.44 0.00 0.00 57.07 55.72 1aqj s TYR 191 Cb -0.17 -3.63 -0.13 0.00 0.35 0.00 0.00 41.96 38.39 1aqj s TYR 191 CO 0.04 -1.27 -0.24 1.28 -1.34 0.00 0.00 175.55 174.02 1aqj n LEU 192 N 6.92 2.47 0.00 6.97 4.77 -0.63 -3.35 117.00 134.14 1aqj n LEU 192 Ca 0.13 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1aqj n LEU 192 Cb 0.46 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1aqj n LEU 192 CO 0.58 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1aqj n GLY 193 N 2.05 -0.89 2.84 -0.72 0.00 0.14 -4.63 105.19 103.97 1aqj n GLY 193 Ca -0.43 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 1aqj n GLY 193 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aqj n GLU 194 N 0.00 3.26 -0.15 1.61 1.02 -1.26 0.20 120.64 125.32 1aqj n GLU 194 Ca 0.00 -3.12 0.09 0.00 -0.02 0.00 0.00 57.16 54.11 1aqj n GLU 194 Cb 0.00 -3.11 0.27 0.00 -0.02 0.00 0.00 31.44 28.58 1aqj n GLU 194 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1aqj n VAL 195 N 4.23 0.41 -3.94 2.62 0.24 -1.26 -4.91 118.33 115.71 1aqj n VAL 195 Ca 0.45 -0.49 -0.28 0.00 -2.04 0.00 0.00 64.34 61.99 1aqj n VAL 195 Cb 0.38 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 1aqj n VAL 195 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1aqj s PHE 196 N -1.59 3.48 0.34 6.34 0.08 -1.26 -4.76 117.98 120.62 1aqj s PHE 196 Ca 0.31 0.15 0.11 0.00 0.12 0.00 0.00 56.93 57.63 1aqj s PHE 196 Cb 0.17 -1.69 0.91 0.00 -0.57 0.00 0.00 43.02 41.84 1aqj s PHE 196 CO 0.23 0.54 1.77 -1.35 -0.10 0.00 0.00 175.22 176.32 1aqj h PRO 197 N 2.45 0.57 -6.50 0.24 0.11 -1.91 -3.32 132.00 123.63 1aqj h PRO 197 Ca -0.47 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 1aqj h PRO 197 Cb 1.18 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 1aqj h PRO 197 CO 0.71 0.38 0.81 -1.14 -0.21 0.00 0.00 178.00 178.54 1aqj s GLN 198 N -5.69 3.63 0.44 1.05 2.00 -1.26 -5.01 119.66 114.82 1aqj s GLN 198 Ca -0.10 0.38 -0.07 0.00 -2.00 0.00 0.00 55.36 53.57 1aqj s GLN 198 Cb 0.25 -3.93 0.10 0.00 0.80 0.00 0.00 33.01 30.24 1aqj s GLN 198 CO 0.80 -1.36 0.54 1.63 -0.50 0.00 0.00 175.29 176.40 1aqj n LYS 199 N 7.66 -0.85 -1.27 1.67 4.76 -1.25 -4.33 118.16 124.54 1aqj n LYS 199 Ca 0.10 -0.84 -0.09 0.00 -2.87 0.00 0.00 58.31 54.60 1aqj n LYS 199 Cb 0.49 -0.61 -0.04 0.00 -1.84 0.00 0.00 35.03 33.03 1aqj n LYS 199 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1aqj n LYS 200 N -2.36 -0.91 -3.53 1.97 4.76 -1.26 -4.96 118.16 111.88 1aqj n LYS 200 Ca 0.07 0.78 -0.29 0.00 -2.87 0.00 0.00 58.31 56.00 1aqj n LYS 200 Cb 0.25 -4.76 -0.13 0.00 -1.84 0.00 0.00 35.03 28.54 1aqj n LYS 200 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1aqj s VAL 201 N -2.22 0.31 -0.06 -0.18 1.01 -1.26 -4.99 120.40 113.01 1aqj s VAL 201 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1aqj s VAL 201 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1aqj s VAL 201 CO 0.00 -0.90 1.31 -0.55 0.00 0.00 0.00 175.10 174.96 1aqj s SER 202 N 1.25 6.94 0.21 3.32 0.15 -1.26 -4.10 113.70 120.21 1aqj s SER 202 Ca 0.15 1.91 0.06 0.00 0.70 0.00 0.00 55.95 58.78 1aqj s SER 202 Cb -0.21 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1aqj s SER 202 CO -0.09 -0.69 0.17 0.00 1.20 0.00 0.00 173.24 173.83 1aqj s ALA 203 N 2.66 3.57 -0.01 5.45 0.00 0.55 -1.43 121.76 132.55 1aqj s ALA 203 Ca 0.59 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1aqj s ALA 203 Cb -0.27 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1aqj s ALA 203 CO 0.22 0.36 0.13 0.54 0.00 0.00 0.00 175.76 177.02 1aqj s VAL 204 N -1.97 0.06 -0.18 0.00 0.11 0.10 0.27 120.40 118.80 1aqj s VAL 204 Ca 0.32 -0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 1aqj s VAL 204 Cb -0.09 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1aqj s VAL 204 CO 0.24 -0.30 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.02 1aqj s VAL 205 N -1.04 4.06 -0.20 2.04 1.01 0.28 -1.26 120.40 125.29 1aqj s VAL 205 Ca -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1aqj s VAL 205 Cb -0.06 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1aqj s VAL 205 CO 0.01 0.46 -0.05 -0.51 0.00 0.00 0.00 175.10 175.01 1aqj s ILE 206 N 0.61 3.42 -0.31 2.22 2.07 -0.27 -0.34 121.20 128.60 1aqj s ILE 206 Ca -0.01 -0.49 -0.07 0.00 -1.41 0.00 0.00 60.65 58.67 1aqj s ILE 206 Cb -0.14 -2.53 0.02 0.00 0.13 0.00 0.00 42.46 39.94 1aqj s ILE 206 CO 0.02 0.44 0.09 -0.60 -1.91 0.00 0.00 174.94 172.99 1aqj s ARG 207 N 1.19 2.92 -0.11 3.50 3.52 -0.27 -2.00 118.95 127.69 1aqj s ARG 207 Ca 0.02 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 54.66 1aqj s ARG 207 Cb -0.14 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 1aqj s ARG 207 CO -0.01 -0.53 -0.15 0.12 -0.81 0.00 0.00 175.30 173.93 1aqj s PHE 208 N 1.47 2.76 -0.18 5.12 5.36 0.47 -1.15 117.98 131.83 1aqj s PHE 208 Ca 0.01 -0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 55.36 1aqj s PHE 208 Cb -0.18 -1.79 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1aqj s PHE 208 CO 0.03 -0.18 -0.16 -1.14 -1.46 0.00 0.00 175.22 172.31 1aqj s GLN 209 N 0.19 3.12 -0.81 10.12 0.74 -0.59 -0.03 119.66 132.40 1aqj s GLN 209 Ca -0.09 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 54.49 1aqj s GLN 209 Cb -0.15 -2.67 -0.09 0.00 1.10 0.00 0.00 33.01 31.20 1aqj s GLN 209 CO 0.05 -0.15 2.35 1.17 -0.55 0.00 0.00 175.29 178.17 1aqj n LYS 210 N 4.50 2.17 -3.17 1.67 4.81 0.28 -1.83 118.16 126.59 1aqj n LYS 210 Ca -0.20 -1.39 -0.14 0.00 -0.87 0.00 0.00 58.31 55.71 1aqj n LYS 210 Cb 0.51 -2.36 -0.05 0.00 0.02 0.00 0.00 35.03 33.15 1aqj n LYS 210 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1aqj s SER 211 N 2.95 0.16 0.00 3.14 1.04 -1.26 -1.29 113.70 118.44 1aqj s SER 211 Ca 0.45 -1.97 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1aqj s SER 211 Cb 0.14 0.84 0.00 0.00 0.10 0.00 0.00 66.02 67.10 1aqj s SER 211 CO -0.03 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1aqj n GLY 212 N 3.46 0.00 0.00 7.32 0.00 -1.26 -3.82 105.19 110.90 1aqj n GLY 212 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1aqj n GLY 212 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aqj n LYS 213 N 0.00 0.00 0.00 1.61 0.00 -1.20 -4.57 118.16 114.01 1aqj n LYS 213 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1aqj n LYS 213 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1aqj n LYS 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aqj n GLY 214 N 0.00 2.92 2.94 3.14 0.00 -1.26 -4.62 105.19 108.31 1aqj n GLY 214 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 1aqj n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aqj s LEU 215 N 0.00 1.81 -0.07 0.99 1.98 0.32 -1.82 118.68 121.89 1aqj s LEU 215 Ca 0.00 -0.10 0.05 0.00 -2.89 0.00 0.00 54.13 51.19 1aqj s LEU 215 Cb 0.00 -0.31 -0.00 0.00 0.66 0.00 0.00 46.19 46.54 1aqj s LEU 215 CO 0.00 0.03 -0.22 -0.44 -1.89 0.00 0.00 176.35 173.83 1aqj s SER 216 N 0.16 2.81 -0.17 3.68 0.01 -0.85 0.94 113.70 120.28 1aqj s SER 216 Ca -0.02 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1aqj s SER 216 Cb -0.05 -1.02 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1aqj s SER 216 CO -0.00 0.18 -0.02 -0.22 0.41 0.00 0.00 173.24 173.58 1aqj s LEU 217 N 0.14 3.25 0.12 2.44 2.96 0.12 -1.15 118.68 126.55 1aqj s LEU 217 Ca -0.11 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1aqj s LEU 217 Cb -0.15 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1aqj s LEU 217 CO 0.05 0.13 -0.21 0.26 -1.32 0.00 0.00 176.35 175.27 1aqj s TRP 218 N 0.61 1.82 0.36 5.38 0.52 0.61 0.26 118.94 128.50 1aqj s TRP 218 Ca -0.02 -0.43 0.08 0.00 0.02 0.00 0.00 56.10 55.75 1aqj s TRP 218 Cb -0.14 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 1aqj s TRP 218 CO 0.02 0.24 0.21 0.34 0.02 0.00 0.00 176.95 177.78 1aqj s ASP 219 N -2.07 4.81 0.15 2.95 -1.08 0.24 -1.32 116.67 120.34 1aqj s ASP 219 Ca 0.09 -0.76 0.05 0.00 -0.52 0.00 0.00 52.55 51.41 1aqj s ASP 219 Cb -0.09 -0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 40.60 1aqj s ASP 219 CO 0.05 -0.39 -0.11 0.42 0.52 0.00 0.00 175.17 175.67 1aqj s THR 220 N -2.43 1.21 -0.15 1.71 -4.23 -1.21 0.25 115.64 110.79 1aqj s THR 220 Ca 0.40 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1aqj s THR 220 Cb -0.02 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1aqj s THR 220 CO 0.24 -0.71 -0.21 -1.58 -0.54 0.00 0.00 174.62 171.81 1aqj s GLN 221 N -3.64 3.00 0.15 3.99 0.74 -0.12 -4.91 119.66 118.86 1aqj s GLN 221 Ca 0.16 -0.84 -0.30 0.00 0.05 0.00 0.00 55.36 54.43 1aqj s GLN 221 Cb 0.02 -2.46 -0.07 0.00 1.10 0.00 0.00 33.01 31.60 1aqj s GLN 221 CO 0.01 -0.06 1.11 -2.00 -0.55 0.00 0.00 175.29 173.80 1aqj s GLU 222 N 0.93 4.57 0.30 1.67 2.56 -1.26 -2.18 118.70 125.29 1aqj s GLU 222 Ca -0.04 1.70 -0.10 0.00 0.00 0.00 0.00 54.97 56.53 1aqj s GLU 222 Cb -0.15 -3.30 0.01 0.00 2.00 0.00 0.00 34.13 32.69 1aqj s GLU 222 CO -0.05 0.01 0.53 0.45 -0.56 0.00 0.00 175.26 175.65 1aqj s SER 223 N 0.15 0.28 0.55 -1.70 0.15 -0.46 -5.01 113.70 107.66 1aqj s SER 223 Ca 0.51 -1.16 0.33 0.00 0.70 0.00 0.00 55.95 56.33 1aqj s SER 223 Cb -0.29 0.66 1.49 0.00 -1.71 0.00 0.00 66.02 66.17 1aqj s SER 223 CO 0.33 -1.29 2.04 -0.33 1.20 0.00 0.00 173.24 175.19 1aqj h GLU 224 N 2.16 0.00 0.09 5.44 3.07 -2.04 -3.06 114.58 120.24 1aqj h GLU 224 Ca -0.28 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.22 1aqj h GLU 224 Cb 1.25 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 1aqj h GLU 224 CO 0.37 0.05 -2.09 -1.13 -1.40 0.00 0.00 179.01 174.81 1aqj n SER 225 N -3.22 2.03 0.00 1.42 3.41 -1.26 -5.10 113.62 110.90 1aqj n SER 225 Ca -0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1aqj n SER 225 Cb 0.28 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1aqj n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqj n GLY 226 N 2.03 -0.56 3.66 5.00 0.00 -1.16 -5.00 105.19 109.16 1aqj n GLY 226 Ca -0.34 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1aqj n GLY 226 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aqj s PHE 227 N -4.00 3.06 -0.19 1.61 0.08 -1.26 -1.36 117.98 115.92 1aqj s PHE 227 Ca 0.00 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.15 1aqj s PHE 227 Cb 0.00 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1aqj s PHE 227 CO 0.00 0.44 -0.19 0.99 -0.10 0.00 0.00 175.22 176.36 1aqj s THR 228 N -0.99 2.09 0.43 0.64 2.01 -0.93 -4.91 115.64 113.99 1aqj s THR 228 Ca 0.17 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 1aqj s THR 228 Cb -0.11 -1.93 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 1aqj s THR 228 CO 0.07 0.46 1.09 -2.84 -0.69 0.00 0.00 174.62 172.71 1aqj s PRO 229 N 1.27 3.97 -0.09 4.92 0.02 -1.26 -0.95 135.00 142.87 1aqj s PRO 229 Ca 0.03 1.60 -0.02 0.00 0.02 0.00 0.00 61.00 62.62 1aqj s PRO 229 Cb -0.14 -2.44 0.04 0.00 0.02 0.00 0.00 34.50 31.98 1aqj s PRO 229 CO -0.12 -0.33 0.04 0.42 -0.33 0.00 0.00 177.00 176.68 1aqj s ILE 230 N -1.65 0.14 0.13 2.83 1.01 0.14 -4.94 121.20 118.86 1aqj s ILE 230 Ca 0.61 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 1aqj s ILE 230 Cb -0.24 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.66 1aqj s ILE 230 CO 0.29 0.07 1.59 -0.22 0.00 0.00 0.00 174.94 176.68 1aqj s LEU 231 N 2.06 4.37 -0.25 2.97 2.96 -1.26 0.80 118.68 130.33 1aqj s LEU 231 Ca 0.04 2.56 -0.16 0.00 -0.22 0.00 0.00 54.13 56.35 1aqj s LEU 231 Cb -0.13 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 1aqj s LEU 231 CO -0.06 -0.84 -0.27 1.87 -1.32 0.00 0.00 176.35 175.73 1aqj n TRP 232 N 4.53 0.18 -3.56 5.38 -0.00 0.14 -4.84 117.44 119.27 1aqj n TRP 232 Ca 0.14 0.08 -0.09 0.00 -0.00 0.00 0.00 57.50 57.63 1aqj n TRP 232 Cb 0.39 -0.91 -0.02 0.00 -0.00 0.00 0.00 31.31 30.78 1aqj n TRP 232 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1aqj s ALA 233 N -2.58 -1.62 -0.04 5.87 0.00 -0.94 -5.00 121.76 117.45 1aqj s ALA 233 Ca -0.35 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1aqj s ALA 233 Cb 0.11 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1aqj s ALA 233 CO 0.48 -0.83 -0.12 -1.21 0.00 0.00 0.00 175.76 174.09 1aqj s GLU 234 N -3.51 1.33 -0.51 0.00 2.02 -1.26 0.16 118.70 116.93 1aqj s GLU 234 Ca 0.05 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.67 1aqj s GLU 234 Cb -0.02 -1.18 0.13 0.00 0.10 0.00 0.00 34.13 33.16 1aqj s GLU 234 CO -0.06 0.13 0.27 0.71 0.02 0.00 0.00 175.26 176.32 1aqj s TYR 235 N 0.25 2.87 0.34 1.61 1.51 0.27 -4.97 117.35 119.23 1aqj s TYR 235 Ca -0.06 -2.98 0.29 0.00 -1.01 0.00 0.00 57.07 53.31 1aqj s TYR 235 Cb -0.11 -2.56 1.40 0.00 -0.11 0.00 0.00 41.96 40.59 1aqj s TYR 235 CO 0.01 -0.74 2.03 -1.35 -1.11 0.00 0.00 175.55 174.40 1aqj h PRO 236 N 6.49 0.00 -0.39 -1.71 0.11 -1.93 0.98 132.00 135.55 1aqj h PRO 236 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1aqj h PRO 236 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1aqj h PRO 236 CO 0.63 0.12 0.02 0.72 -0.21 0.00 0.00 178.00 179.28 1aqj n HIS 237 N -3.49 1.40 -1.69 0.65 8.25 -1.26 -4.09 115.22 115.00 1aqj n HIS 237 Ca -0.01 -0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 56.13 1aqj n HIS 237 Cb 0.27 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 1aqj n HIS 237 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1aqj n TRP 238 N -0.18 2.61 0.08 4.41 -0.00 -1.07 -4.89 117.44 118.40 1aqj n TRP 238 Ca 0.25 -0.16 0.04 0.00 -0.00 0.00 0.00 57.50 57.63 1aqj n TRP 238 Cb 1.03 -2.73 0.07 0.00 -0.00 0.00 0.00 31.31 29.67 1aqj n TRP 238 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1aqj n GLU 239 N 5.76 1.55 0.00 5.87 1.02 -1.26 -4.86 120.64 128.72 1aqj n GLU 239 Ca 0.18 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 1aqj n GLU 239 Cb 0.37 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1aqj n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aqj n GLY 240 N 0.26 1.43 3.83 0.62 0.00 -1.26 -4.35 105.19 105.72 1aqj n GLY 240 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1aqj n GLY 240 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqj s GLU 241 N 0.00 2.28 0.41 1.61 1.03 -1.26 -4.45 118.70 118.31 1aqj s GLU 241 Ca 0.00 0.55 -0.27 0.00 0.03 0.00 0.00 54.97 55.28 1aqj s GLU 241 Cb 0.00 -1.95 -0.10 0.00 -0.80 0.00 0.00 34.13 31.28 1aqj s GLU 241 CO 0.00 -1.46 1.47 0.96 -1.33 0.00 0.00 175.26 174.90 1aqj s ILE 242 N -3.24 2.02 -0.11 1.83 -4.36 -1.26 -4.98 121.20 111.10 1aqj s ILE 242 Ca 0.60 0.02 -0.15 0.00 -0.26 0.00 0.00 60.65 60.86 1aqj s ILE 242 Cb -0.13 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.52 1aqj s ILE 242 CO 0.53 0.00 0.37 -0.63 0.24 0.00 0.00 174.94 175.46 1aqj s ILE 243 N -1.15 5.22 0.05 8.37 1.01 -0.82 -5.03 121.20 128.85 1aqj s ILE 243 Ca 0.56 0.73 -0.03 0.00 0.00 0.00 0.00 60.65 61.91 1aqj s ILE 243 Cb -0.46 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1aqj s ILE 243 CO 0.61 0.42 0.03 -0.13 0.00 0.00 0.00 174.94 175.87 1aqj s ARG 244 N 0.14 0.63 -1.08 2.79 0.52 -1.26 -4.66 118.95 116.03 1aqj s ARG 244 Ca 0.21 -1.05 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 1aqj s ARG 244 Cb -0.14 0.23 0.16 0.00 0.52 0.00 0.00 34.95 35.72 1aqj s ARG 244 CO 0.08 -0.14 1.28 -0.06 0.02 0.00 0.00 175.30 176.48 1aqj s PHE 245 N -3.52 3.38 0.74 -0.53 0.08 -0.57 -5.01 117.98 112.56 1aqj s PHE 245 Ca 0.03 -1.85 -0.12 0.00 0.12 0.00 0.00 56.93 55.11 1aqj s PHE 245 Cb 0.05 -4.27 0.04 0.00 -0.57 0.00 0.00 43.02 38.26 1aqj s PHE 245 CO -0.09 -1.41 1.12 -1.21 -0.10 0.00 0.00 175.22 173.53 1aqj s GLU 246 N 1.89 2.55 0.33 0.44 2.02 -1.26 -3.65 118.70 121.02 1aqj s GLU 246 Ca 0.38 0.40 -0.16 0.00 0.02 0.00 0.00 54.97 55.61 1aqj s GLU 246 Cb -0.04 -1.99 0.03 0.00 0.10 0.00 0.00 34.13 32.23 1aqj s GLU 246 CO -0.04 -1.24 0.71 0.95 0.02 0.00 0.00 175.26 175.65 1aqj s THR 247 N -3.38 0.00 0.11 3.63 -4.23 -1.26 -5.02 115.64 105.49 1aqj s THR 247 Ca 0.59 -1.09 -0.20 0.00 -1.18 0.00 0.00 61.69 59.81 1aqj s THR 247 Cb -0.11 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.14 1aqj s THR 247 CO 0.51 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.28 1aqj h GLU 248 N 2.03 0.22 -0.17 3.99 4.81 -1.99 -1.37 114.58 122.11 1aqj h GLU 248 Ca -0.27 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1aqj h GLU 248 Cb 1.25 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1aqj h GLU 248 CO 0.34 0.16 -0.03 0.93 -0.73 0.00 0.00 179.01 179.68 1aqj h GLU 249 N 0.22 0.02 -0.39 1.92 5.08 -1.99 -1.28 114.58 118.16 1aqj h GLU 249 Ca 0.06 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1aqj h GLU 249 Cb -0.02 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1aqj h GLU 249 CO -0.01 0.01 -0.09 1.15 -1.00 0.00 0.00 179.01 179.06 1aqj h THR 250 N 0.02 0.62 -0.23 1.13 2.02 -1.90 -1.30 112.91 113.27 1aqj h THR 250 Ca 0.08 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1aqj h THR 250 Cb 0.12 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1aqj h THR 250 CO -0.16 0.00 0.07 0.03 0.37 0.00 0.00 175.52 175.83 1aqj h ARG 251 N 0.00 0.35 0.11 6.66 3.08 -0.76 -2.31 114.38 121.51 1aqj h ARG 251 Ca 0.19 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1aqj h ARG 251 Cb 0.28 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1aqj h ARG 251 CO -0.40 0.43 -0.21 0.87 -1.07 0.00 0.00 179.97 179.59 1aqj h LYS 252 N 0.20 -0.39 -0.84 0.04 1.79 -0.97 0.15 116.57 116.55 1aqj h LYS 252 Ca 0.07 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.69 1aqj h LYS 252 Cb 0.23 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 1aqj h LYS 252 CO -0.00 -0.26 0.55 1.25 -1.08 0.00 0.00 179.45 179.91 1aqj h LEU 253 N -0.40 0.65 -0.12 2.94 5.85 -1.18 0.18 115.31 123.23 1aqj h LEU 253 Ca 0.03 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 1aqj h LEU 253 Cb 0.42 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1aqj h LEU 253 CO -0.12 0.36 -0.61 -0.33 -0.34 0.00 0.00 178.44 177.40 1aqj h GLU 254 N 0.71 0.00 -0.09 1.25 5.08 -0.80 -3.27 114.58 117.46 1aqj h GLU 254 Ca 0.41 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.55 1aqj h GLU 254 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1aqj h GLU 254 CO -0.17 0.61 -0.83 0.82 -1.00 0.00 0.00 179.01 178.44 1aqj h ILE 255 N 0.00 1.32 -0.45 3.13 1.08 0.20 -3.30 117.51 119.49 1aqj h ILE 255 Ca -0.01 -2.13 -0.24 0.00 -0.39 0.00 0.00 64.86 62.09 1aqj h ILE 255 Cb 1.42 2.14 -0.14 0.00 -3.07 0.00 0.00 36.82 37.17 1aqj h ILE 255 CO 0.08 0.66 0.31 -1.54 -0.69 0.00 0.00 178.15 176.97 1aqj n SER 256 N -3.87 3.63 -3.32 1.72 3.41 0.13 -4.92 113.62 110.41 1aqj n SER 256 Ca -0.07 -2.76 -0.05 0.00 -0.26 0.00 0.00 58.87 55.73 1aqj n SER 256 Cb 0.77 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1aqj n SER 256 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1aqj s GLY 257 N -0.01 0.12 -0.07 5.00 0.00 -1.24 -4.50 107.32 106.62 1aqj s GLY 257 Ca 0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 1aqj s GLY 257 CO 0.04 0.99 0.02 1.06 0.00 0.00 0.00 173.10 175.21 1aqj s MET 258 N -2.52 3.00 0.22 2.90 1.00 0.45 -4.77 119.30 119.58 1aqj s MET 258 Ca 0.17 -0.41 -0.31 0.00 0.00 0.00 0.00 55.69 55.15 1aqj s MET 258 Cb -0.03 -2.82 -0.10 0.00 0.00 0.00 0.00 34.83 31.87 1aqj s MET 258 CO 0.07 0.70 1.52 -2.14 0.00 0.00 0.00 175.02 175.17 1aqj s PRO 259 N -1.05 4.22 0.33 2.03 0.02 -1.26 -0.36 135.00 138.92 1aqj s PRO 259 Ca 0.15 2.38 0.11 0.00 0.02 0.00 0.00 61.00 63.66 1aqj s PRO 259 Cb -0.11 -3.11 0.97 0.00 0.02 0.00 0.00 34.50 32.27 1aqj s PRO 259 CO 0.04 -0.54 1.66 1.25 -0.33 0.00 0.00 177.00 179.09 1aqj h LEU 260 N 5.74 0.37 -0.16 -5.54 5.85 -0.78 0.18 115.31 120.97 1aqj h LEU 260 Ca -0.45 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1aqj h LEU 260 Cb 1.21 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1aqj h LEU 260 CO 0.84 -0.13 0.00 0.61 -0.34 0.00 0.00 178.44 179.41 1aqj n GLY 261 N -1.32 -0.69 0.25 3.75 0.00 0.71 -1.30 105.19 106.59 1aqj n GLY 261 Ca 0.29 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.43 1aqj n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqj n ASP 262 N -1.60 1.37 -0.02 1.61 9.92 0.63 -4.27 116.55 124.19 1aqj n ASP 262 Ca 0.01 -1.10 0.02 0.00 -0.53 0.00 0.00 54.79 53.18 1aqj n ASP 262 Cb 0.05 0.55 -0.08 0.00 -0.64 0.00 0.00 41.12 41.00 1aqj n ASP 262 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1aqj n LEU 263 N -0.75 0.00 -4.30 0.64 4.32 -0.42 -4.93 117.00 111.56 1aqj n LEU 263 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.90 1aqj n LEU 263 Cb 0.39 0.08 -0.10 0.00 -1.62 0.00 0.00 43.42 42.17 1aqj n LEU 263 CO 0.33 0.08 -0.40 -0.36 -1.22 0.00 0.00 177.39 175.82 1aqj s PHE 264 N -2.54 1.48 -0.24 -1.77 0.40 -0.88 -1.17 117.98 113.27 1aqj s PHE 264 Ca -0.04 -0.73 -0.09 0.00 -0.60 0.00 0.00 56.93 55.47 1aqj s PHE 264 Cb 0.05 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1aqj s PHE 264 CO 0.41 0.15 0.11 -1.01 0.70 0.00 0.00 175.22 175.59 1aqj s HIS 265 N -3.22 3.20 -0.59 0.36 3.76 0.43 -4.72 115.29 114.51 1aqj s HIS 265 Ca 0.21 -0.04 -0.18 0.00 -0.15 0.00 0.00 55.06 54.89 1aqj s HIS 265 Cb 0.02 -2.23 0.11 0.00 1.11 0.00 0.00 32.58 31.59 1aqj s HIS 265 CO 0.04 -0.09 0.68 0.42 -0.85 0.00 0.00 174.74 174.94 1aqj s ILE 266 N 1.19 4.90 0.41 0.60 1.01 -1.26 -1.00 121.20 127.05 1aqj s ILE 266 Ca 0.06 -1.11 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1aqj s ILE 266 Cb -0.14 -4.47 -0.00 0.00 0.01 0.00 0.00 42.46 37.86 1aqj s ILE 266 CO 0.05 -1.09 0.59 -0.13 0.00 0.00 0.00 174.94 174.36 1aqj s ARG 267 N 2.46 3.02 0.08 2.79 1.81 0.67 -4.93 118.95 124.85 1aqj s ARG 267 Ca 0.10 -0.77 0.09 0.00 -1.72 0.00 0.00 55.73 53.43 1aqj s ARG 267 Cb -0.25 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 1aqj s ARG 267 CO 0.05 -0.18 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.22 1aqj s PHE 268 N -2.41 2.48 0.90 -0.53 0.08 -1.26 -2.22 117.98 115.02 1aqj s PHE 268 Ca 0.48 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 57.10 1aqj s PHE 268 Cb -0.10 -1.38 0.14 0.00 -0.57 0.00 0.00 43.02 41.12 1aqj s PHE 268 CO 0.35 0.30 1.20 0.00 -0.10 0.00 0.00 175.22 176.97 1aqj s ALA 269 N -1.01 2.20 0.04 5.36 0.00 -1.26 -5.01 121.76 122.07 1aqj s ALA 269 Ca 0.15 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 1aqj s ALA 269 Cb -0.10 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1aqj s ALA 269 CO 0.07 -2.15 0.41 0.00 0.00 0.00 0.00 175.76 174.09 1aqj s ALA 270 N -3.55 3.71 0.62 0.00 0.00 -1.26 -4.90 121.76 116.37 1aqj s ALA 270 Ca 0.66 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 1aqj s ALA 270 Cb -0.10 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1aqj s ALA 270 CO 0.52 0.52 1.00 1.03 0.00 0.00 0.00 175.76 178.82 1aqj s ARG 271 N -1.46 3.33 0.24 0.00 1.81 -1.26 -4.39 118.95 117.22 1aqj s ARG 271 Ca 0.28 0.52 -0.11 0.00 -1.72 0.00 0.00 55.73 54.70 1aqj s ARG 271 Cb -0.15 -2.13 0.34 0.00 -0.45 0.00 0.00 34.95 32.56 1aqj s ARG 271 CO 0.15 -0.65 1.59 0.77 -0.68 0.00 0.00 175.30 176.48 1aqj h SER 272 N -0.32 -0.81 -0.88 0.23 0.02 -1.98 -0.46 113.55 109.36 1aqj h SER 272 Ca -0.45 0.25 0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1aqj h SER 272 Cb 1.22 0.53 -0.10 0.00 0.14 0.00 0.00 62.40 64.19 1aqj h SER 272 CO 0.62 -0.28 0.46 1.55 -1.14 0.00 0.00 176.83 178.05 1aqj h PRO 273 N -0.01 0.63 -0.81 3.45 0.13 -1.98 0.41 132.00 133.83 1aqj h PRO 273 Ca 0.39 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.47 1aqj h PRO 273 Cb 0.60 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1aqj h PRO 273 CO -0.85 0.41 0.44 0.93 -0.23 0.00 0.00 178.00 178.70 1aqj h GLU 274 N 0.65 1.12 -0.37 0.86 5.08 -1.45 -2.13 114.58 118.35 1aqj h GLU 274 Ca 0.48 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1aqj h GLU 274 Cb 0.70 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1aqj h GLU 274 CO -0.37 0.83 0.03 0.74 -1.00 0.00 0.00 179.01 179.24 1aqj h PHE 275 N 1.12 0.68 0.00 4.33 0.04 -0.91 -2.69 116.94 119.50 1aqj h PHE 275 Ca 0.28 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1aqj h PHE 275 Cb 0.03 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1aqj h PHE 275 CO 0.00 0.71 0.00 1.63 -0.60 0.00 0.00 178.31 180.05 1aqj n LYS 276 N -4.52 0.14 -0.00 1.51 5.02 -0.03 -1.97 118.16 118.31 1aqj n LYS 276 Ca -0.01 0.19 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1aqj n LYS 276 Cb 0.26 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 1aqj n LYS 276 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1aqj n LYS 277 N -1.35 0.64 -2.35 1.97 4.81 -0.83 -4.88 118.16 116.16 1aqj n LYS 277 Ca 0.06 0.15 -0.42 0.00 -0.87 0.00 0.00 58.31 57.22 1aqj n LYS 277 Cb 0.13 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.42 1aqj n LYS 277 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1aqj s HIS 278 N -2.87 3.11 0.37 5.64 2.46 -0.83 -4.93 115.29 118.24 1aqj s HIS 278 Ca -0.05 1.07 0.09 0.00 0.47 0.00 0.00 55.06 56.64 1aqj s HIS 278 Cb 0.09 -3.52 0.83 0.00 -0.13 0.00 0.00 32.58 29.84 1aqj s HIS 278 CO 0.83 -1.78 1.92 -1.35 -2.47 0.00 0.00 174.74 171.89 1aqj h PRO 279 N 7.45 0.65 0.00 2.88 0.11 -1.90 -2.05 132.00 139.14 1aqj h PRO 279 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1aqj h PRO 279 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1aqj h PRO 279 CO 0.88 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 179.09 1aqj n ALA 280 N -2.46 2.38 -2.70 -0.75 0.00 -1.26 -4.79 120.51 110.93 1aqj n ALA 280 Ca 0.14 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1aqj n ALA 280 Cb 0.36 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 1aqj n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aqj s VAL 281 N -2.42 4.92 0.21 0.00 1.01 -0.77 -4.18 120.40 119.16 1aqj s VAL 281 Ca 0.29 1.78 0.10 0.00 0.00 0.00 0.00 61.98 64.16 1aqj s VAL 281 Cb 0.18 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1aqj s VAL 281 CO 0.38 0.15 -0.13 -0.13 0.00 0.00 0.00 175.10 175.37 1aqj s ARG 282 N 1.28 1.91 0.00 2.72 1.81 0.24 -4.95 118.95 121.96 1aqj s ARG 282 Ca 0.44 -1.42 0.25 0.00 -1.72 0.00 0.00 55.73 53.28 1aqj s ARG 282 Cb -0.19 -2.03 0.41 0.00 -0.45 0.00 0.00 34.95 32.69 1aqj s ARG 282 CO 0.21 0.40 1.38 1.63 -0.68 0.00 0.00 175.30 178.23 1aqj n LYS 283 N -0.13 1.91 -4.08 3.54 5.02 -1.26 0.50 118.16 123.65 1aqj n LYS 283 Ca -0.10 -1.47 -0.13 0.00 -2.02 0.00 0.00 58.31 54.60 1aqj n LYS 283 Cb 0.57 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 34.00 1aqj n LYS 283 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1aqj s GLU 284 N -2.10 0.59 0.99 1.97 2.02 -1.26 -4.73 118.70 116.18 1aqj s GLU 284 Ca 0.29 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 1aqj s GLU 284 Cb 0.20 -0.28 0.25 0.00 0.10 0.00 0.00 34.13 34.39 1aqj s GLU 284 CO 0.36 0.04 0.83 -0.35 0.02 0.00 0.00 175.26 176.16 1aqj n PRO 285 N 1.17 -2.93 0.00 0.39 -0.04 -1.26 -4.75 135.00 127.58 1aqj n PRO 285 Ca -0.21 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1aqj n PRO 285 Cb 0.56 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1aqj n PRO 285 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aqj n GLY 286 N -3.38 -0.25 3.77 0.55 0.00 -1.26 -5.04 105.19 99.56 1aqj n GLY 286 Ca 0.12 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1aqj n GLY 286 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aqj s PRO 287 N -2.00 4.13 0.00 1.61 0.04 -1.26 -3.11 135.00 134.42 1aqj s PRO 287 Ca 0.00 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1aqj s PRO 287 Cb 0.00 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1aqj s PRO 287 CO 0.00 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1aqj n GLY 288 N 0.73 2.65 3.79 0.56 0.00 -1.26 -4.98 105.19 106.67 1aqj n GLY 288 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1aqj n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqj s LEU 289 N 0.00 4.06 0.08 0.99 1.43 -1.18 -3.98 118.68 120.08 1aqj s LEU 289 Ca 0.00 1.99 0.08 0.00 -1.03 0.00 0.00 54.13 55.17 1aqj s LEU 289 Cb 0.00 -4.29 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 1aqj s LEU 289 CO 0.00 -0.54 -0.21 0.54 0.23 0.00 0.00 176.35 176.36 1aqj s VAL 290 N -1.76 1.72 0.31 -1.59 0.11 0.30 -4.82 120.40 114.67 1aqj s VAL 290 Ca 0.60 -1.41 -0.28 0.00 -2.93 0.00 0.00 61.98 57.97 1aqj s VAL 290 Cb -0.20 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.03 1aqj s VAL 290 CO 0.25 0.06 1.08 -2.16 -3.33 0.00 0.00 175.10 171.00 1aqj s PRO 291 N -1.60 4.51 -0.54 1.54 0.04 -1.26 -0.40 135.00 137.29 1aqj s PRO 291 Ca 0.07 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1aqj s PRO 291 Cb -0.09 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.46 1aqj s PRO 291 CO 0.03 0.12 1.15 0.08 0.04 0.00 0.00 177.00 178.42 1aqj s VAL 292 N -1.29 4.12 0.60 -0.36 1.01 -0.89 -4.57 120.40 119.01 1aqj s VAL 292 Ca 0.48 0.98 -0.18 0.00 0.00 0.00 0.00 61.98 63.26 1aqj s VAL 292 Cb -0.29 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 1aqj s VAL 292 CO 0.37 -1.20 1.13 -0.76 0.00 0.00 0.00 175.10 174.65 1aqj s LEU 293 N 4.69 3.59 0.00 3.92 1.43 0.25 -4.25 118.68 128.32 1aqj s LEU 293 Ca 0.44 2.15 0.02 0.00 -1.03 0.00 0.00 54.13 55.71 1aqj s LEU 293 Cb -0.08 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 1aqj s LEU 293 CO 0.27 -1.45 0.08 0.35 0.23 0.00 0.00 176.35 175.83 1aqj n THR 294 N -1.79 0.00 -0.05 5.49 -2.24 -1.26 -1.01 114.28 113.42 1aqj n THR 294 Ca 0.11 -0.95 0.14 0.00 -2.27 0.00 0.00 64.05 61.09 1aqj n THR 294 Cb 0.51 0.39 0.56 0.00 -2.10 0.00 0.00 70.33 69.69 1aqj n THR 294 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1aqj h GLY 295 N 0.71 0.41 1.89 3.38 0.00 -1.94 -0.33 103.07 107.19 1aqj h GLY 295 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1aqj h GLY 295 CO 0.17 0.06 0.00 0.54 0.00 0.00 0.00 176.54 177.32 1aqj n ARG 296 N -4.45 0.05 0.00 4.80 1.74 -1.26 -1.45 116.66 116.09 1aqj n ARG 296 Ca 0.10 0.22 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 1aqj n ARG 296 Cb 0.44 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.42 1aqj n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aqj n ASN 297 N -1.45 1.09 -4.57 0.55 4.13 -0.14 -4.84 115.26 110.04 1aqj n ASN 297 Ca 0.04 -0.92 -0.39 0.00 1.68 0.00 0.00 54.58 55.00 1aqj n ASN 297 Cb 0.16 0.62 -0.10 0.00 -1.54 0.00 0.00 39.78 38.92 1aqj n ASN 297 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1aqj s LEU 298 N -2.84 4.20 0.38 3.41 2.96 -0.53 0.53 118.68 126.79 1aqj s LEU 298 Ca 0.13 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1aqj s LEU 298 Cb 0.17 -2.18 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 1aqj s LEU 298 CO 0.73 -0.14 0.01 -0.54 -1.32 0.00 0.00 176.35 175.09 1aqj s LYS 299 N 1.81 1.99 -0.68 1.98 -0.14 0.32 -5.00 119.74 120.02 1aqj s LYS 299 Ca 0.08 -1.96 -0.26 0.00 -1.36 0.00 0.00 55.97 52.48 1aqj s LYS 299 Cb -0.16 -1.77 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1aqj s LYS 299 CO 0.11 0.02 2.04 -2.14 -0.76 0.00 0.00 175.35 174.62 1aqj s PRO 300 N -3.72 2.40 0.00 -1.68 0.02 -1.26 -2.55 135.00 128.21 1aqj s PRO 300 Ca 0.35 0.54 0.00 0.00 0.02 0.00 0.00 61.00 61.91 1aqj s PRO 300 Cb 0.05 -4.63 0.00 0.00 0.02 0.00 0.00 34.50 29.95 1aqj s PRO 300 CO 0.19 -3.17 0.00 0.41 -0.33 0.00 0.00 177.00 174.10 1aqj n GLY 301 N 6.14 0.31 3.78 0.52 0.00 0.62 -4.99 105.19 111.58 1aqj n GLY 301 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1aqj n GLY 301 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aqj s TRP 302 N -2.00 -0.06 -0.01 1.61 1.48 -1.06 -4.66 118.94 114.23 1aqj s TRP 302 Ca 0.00 -0.37 0.07 0.00 -1.06 0.00 0.00 56.10 54.74 1aqj s TRP 302 Cb 0.00 0.57 -0.02 0.00 -1.16 0.00 0.00 33.47 32.87 1aqj s TRP 302 CO 0.00 -1.16 -0.22 0.08 -4.06 0.00 0.00 176.95 171.59 1aqj s VAL 303 N -3.94 1.72 -0.75 -0.66 1.01 -1.26 -0.52 120.40 115.99 1aqj s VAL 303 Ca 0.13 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1aqj s VAL 303 Cb -0.04 -1.43 0.18 0.00 0.00 0.00 0.00 36.38 35.08 1aqj s VAL 303 CO 0.07 0.48 0.75 -0.62 0.00 0.00 0.00 175.10 175.77 1aqj s ASP 304 N -0.54 6.56 0.00 3.32 2.15 0.19 -4.88 116.67 123.47 1aqj s ASP 304 Ca 0.08 -2.29 0.23 0.00 0.43 0.00 0.00 52.55 51.00 1aqj s ASP 304 Cb -0.08 -2.24 1.09 0.00 -0.30 0.00 0.00 42.92 41.39 1aqj s ASP 304 CO -0.01 -0.75 1.74 -1.22 -0.17 0.00 0.00 175.17 174.76 1aqj n TYR 305 N 4.81 0.00 -0.04 -5.34 4.01 -1.26 -3.96 117.16 115.37 1aqj n TYR 305 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 1aqj n TYR 305 Cb 0.45 -0.35 -0.14 0.00 -0.31 0.00 0.00 39.34 38.99 1aqj n TYR 305 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1aqj n GLU 306 N -1.35 0.67 -3.20 -0.72 -0.58 -1.26 -4.81 120.64 109.39 1aqj n GLU 306 Ca 0.09 0.21 -0.41 0.00 -0.42 0.00 0.00 57.16 56.63 1aqj n GLU 306 Cb 0.20 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.31 1aqj n GLU 306 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1aqj s LYS 307 N -2.56 3.80 -0.10 3.49 2.20 -1.25 -5.04 119.74 120.28 1aqj s LYS 307 Ca -0.12 0.08 -0.26 0.00 -0.36 0.00 0.00 55.97 55.32 1aqj s LYS 307 Cb 0.07 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1aqj s LYS 307 CO 0.80 -0.56 0.82 1.21 -0.36 0.00 0.00 175.35 177.26 1aqj s ASN 308 N 1.69 7.06 0.00 1.43 3.84 -1.26 -4.87 114.94 122.83 1aqj s ASN 308 Ca 0.21 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.57 1aqj s ASN 308 Cb -0.15 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 1aqj s ASN 308 CO 0.12 -0.28 0.56 1.41 -2.79 0.00 0.00 177.10 176.12 1aqj n HIS 309 N 4.47 0.00 -0.07 0.43 8.25 -1.26 -4.68 115.22 122.36 1aqj n HIS 309 Ca 0.03 -0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.34 1aqj n HIS 309 Cb 0.50 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.48 1aqj n HIS 309 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1aqj n SER 310 N -0.10 1.23 -0.21 0.41 3.41 -1.26 -5.00 113.62 112.09 1aqj n SER 310 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1aqj n SER 310 Cb 0.09 1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 65.03 1aqj n SER 310 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqj n GLY 311 N 1.98 0.59 3.17 5.00 0.00 -1.26 -5.02 105.19 109.66 1aqj n GLY 311 Ca -0.22 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1aqj n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqj s LEU 312 N -0.63 2.09 0.04 0.99 1.43 -1.26 -4.47 118.68 116.86 1aqj s LEU 312 Ca 0.00 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1aqj s LEU 312 Cb 0.00 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 1aqj s LEU 312 CO 0.00 0.16 -0.07 0.26 0.23 0.00 0.00 176.35 176.93 1aqj s TRP 313 N -0.58 0.59 0.10 0.29 0.52 0.18 -2.10 118.94 117.95 1aqj s TRP 313 Ca 0.06 -0.47 -0.20 0.00 0.02 0.00 0.00 56.10 55.51 1aqj s TRP 313 Cb -0.07 -0.36 0.05 0.00 -1.15 0.00 0.00 33.47 31.93 1aqj s TRP 313 CO 0.00 -0.09 0.48 0.00 0.02 0.00 0.00 176.95 177.36 1aqj s MET 314 N -1.45 1.08 -0.09 4.98 0.23 0.47 0.80 119.30 125.32 1aqj s MET 314 Ca -0.10 -0.48 -0.29 0.00 -1.03 0.00 0.00 55.69 53.78 1aqj s MET 314 Cb -0.09 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 1aqj s MET 314 CO 0.00 -0.42 1.65 -1.25 -2.03 0.00 0.00 175.02 172.97 1aqj s PRO 315 N -3.25 4.10 0.35 3.16 0.04 -1.26 0.11 135.00 138.25 1aqj s PRO 315 Ca -0.01 2.08 0.17 0.00 0.04 0.00 0.00 61.00 63.28 1aqj s PRO 315 Cb 0.00 -3.99 1.19 0.00 0.04 0.00 0.00 34.50 31.74 1aqj s PRO 315 CO -0.08 -0.94 1.62 -0.22 0.04 0.00 0.00 177.00 177.42 1aqj h LYS 316 N 9.80 0.15 0.00 4.56 3.64 -1.89 -0.66 116.57 132.17 1aqj h LYS 316 Ca -0.38 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1aqj h LYS 316 Cb 1.17 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1aqj h LYS 316 CO 0.96 0.10 -0.17 0.93 -2.27 0.00 0.00 179.45 179.00 1aqj h GLU 317 N 0.16 0.00 -0.20 1.90 3.07 -1.91 -2.81 114.58 114.79 1aqj h GLU 317 Ca 0.78 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.64 1aqj h GLU 317 Cb 1.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.83 1aqj h GLU 317 CO -0.70 0.17 0.00 0.54 -1.40 0.00 0.00 179.01 177.63 1aqj n ARG 318 N -4.26 1.60 -0.12 2.33 1.74 -0.25 -4.09 116.66 113.61 1aqj n ARG 318 Ca -0.02 -0.93 -0.06 0.00 -0.77 0.00 0.00 57.85 56.07 1aqj n ARG 318 Cb 0.24 -1.29 0.11 0.00 -1.02 0.00 0.00 32.46 30.50 1aqj n ARG 318 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqj h ALA 319 N 3.73 0.98 -0.78 7.54 0.00 -1.60 -2.71 119.26 126.40 1aqj h ALA 319 Ca 0.00 -0.31 0.23 0.00 0.00 0.00 0.00 54.91 54.83 1aqj h ALA 319 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1aqj h ALA 319 CO 0.00 0.61 0.64 0.87 0.00 0.00 0.00 179.25 181.37 1aqj h LYS 320 N 0.76 0.00 0.00 0.00 1.57 -1.73 0.28 116.57 117.46 1aqj h LYS 320 Ca 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1aqj h LYS 320 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1aqj h LYS 320 CO 0.03 0.00 -0.02 0.93 -0.57 0.00 0.00 179.45 179.83 1aqj h GLU 321 N 0.00 0.00 0.03 3.15 5.08 -1.78 -2.97 114.58 118.08 1aqj h GLU 321 Ca 0.37 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.35 1aqj h GLU 321 Cb 1.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 1aqj h GLU 321 CO -0.00 0.02 -2.18 1.28 -1.00 0.00 0.00 179.01 177.13 1aqj n LEU 322 N -3.14 2.43 -3.49 1.33 4.32 0.97 -4.93 117.00 114.48 1aqj n LEU 322 Ca -0.01 0.17 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 1aqj n LEU 322 Cb 0.23 -0.94 -0.09 0.00 -1.62 0.00 0.00 43.42 41.00 1aqj n LEU 322 CO 0.25 0.70 -0.04 -0.13 -1.22 0.00 0.00 177.39 176.96 1aqj s ARG 323 N -2.50 0.31 0.37 3.23 1.81 -1.07 -5.00 118.95 116.10 1aqj s ARG 323 Ca -0.32 0.71 0.14 0.00 -1.72 0.00 0.00 55.73 54.53 1aqj s ARG 323 Cb 0.10 -0.20 0.97 0.00 -0.45 0.00 0.00 34.95 35.36 1aqj s ARG 323 CO 0.61 -0.48 1.80 0.38 -0.68 0.00 0.00 175.30 176.92 1aqj h ASP 324 N 8.20 0.56 0.17 0.23 3.04 -1.79 -0.38 116.42 126.45 1aqj h ASP 324 Ca -0.18 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 1aqj h ASP 324 Cb 1.14 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.41 1aqj h ASP 324 CO 0.21 0.17 0.00 2.22 -2.04 0.00 0.00 179.24 179.80 1aqj n PHE 325 N -4.65 0.16 0.24 4.15 1.16 -1.26 -1.74 117.46 115.52 1aqj n PHE 325 Ca 0.23 0.08 0.10 0.00 -1.87 0.00 0.00 57.45 55.99 1aqj n PHE 325 Cb 0.72 -0.62 0.59 0.00 -1.61 0.00 0.00 39.48 38.56 1aqj n PHE 325 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1aqj h TYR 326 N 0.00 0.00 -0.00 2.97 0.05 -1.38 -2.35 116.97 116.26 1aqj h TYR 326 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1aqj h TYR 326 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1aqj h TYR 326 CO 0.00 0.19 -0.03 0.00 -1.05 0.00 0.00 178.16 177.27 1aqj n ALA 327 N -2.29 2.48 -3.24 3.88 0.00 -0.71 -4.24 120.51 116.38 1aqj n ALA 327 Ca -0.01 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1aqj n ALA 327 Cb 0.32 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 1aqj n ALA 327 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1aqj s THR 328 N -2.81 3.52 0.19 0.00 2.01 -0.88 -4.95 115.64 112.72 1aqj s THR 328 Ca 0.20 -0.46 -0.32 0.00 0.31 0.00 0.00 61.69 61.42 1aqj s THR 328 Cb 0.19 -2.57 -0.12 0.00 0.01 0.00 0.00 72.50 70.02 1aqj s THR 328 CO 0.51 0.45 1.74 -2.65 -0.69 0.00 0.00 174.62 173.98 1aqj n PRO 329 N 4.23 2.76 -4.12 4.92 -0.02 -1.26 -4.79 135.00 136.72 1aqj n PRO 329 Ca -0.18 1.00 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 1aqj n PRO 329 Cb 0.52 -2.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.09 1aqj n PRO 329 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1aqj s HIS 330 N 1.41 1.03 0.03 6.00 -3.43 -1.13 -4.94 115.29 114.26 1aqj s HIS 330 Ca 0.76 -1.25 -0.27 0.00 -0.80 0.00 0.00 55.06 53.51 1aqj s HIS 330 Cb -0.51 -0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.40 1aqj s HIS 330 CO 0.33 -0.98 0.85 -1.17 -2.00 0.00 0.00 174.74 171.77 1aqj s LEU 331 N -3.20 4.41 -0.17 5.38 2.96 -1.24 0.65 118.68 127.48 1aqj s LEU 331 Ca 0.32 1.52 0.01 0.00 -0.22 0.00 0.00 54.13 55.76 1aqj s LEU 331 Cb 0.01 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.36 1aqj s LEU 331 CO 0.17 -0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.22 1aqj s VAL 332 N 0.40 2.02 -0.08 1.68 1.01 0.21 -1.63 120.40 124.00 1aqj s VAL 332 Ca 0.44 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1aqj s VAL 332 Cb -0.21 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1aqj s VAL 332 CO 0.25 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 175.07 1aqj s VAL 333 N 1.22 3.18 0.54 2.92 1.01 -0.85 -2.21 120.40 126.21 1aqj s VAL 333 Ca 0.03 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1aqj s VAL 333 Cb -0.13 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1aqj s VAL 333 CO -0.11 0.57 1.04 0.00 0.00 0.00 0.00 175.10 176.60 1aqj s ALA 334 N -0.44 2.84 0.00 5.51 0.00 -0.68 -0.53 121.76 128.46 1aqj s ALA 334 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1aqj s ALA 334 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1aqj s ALA 334 CO 0.02 -0.53 0.57 -2.39 0.00 0.00 0.00 175.76 173.43 1aqj n HIS 335 N -1.57 0.00 -0.11 0.00 1.44 -1.26 -4.75 115.22 108.96 1aqj n HIS 335 Ca 0.09 -0.12 -0.22 0.00 -2.01 0.00 0.00 57.72 55.46 1aqj n HIS 335 Cb 0.53 -0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.54 1aqj n HIS 335 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1aqj n THR 336 N -0.12 1.26 0.00 0.61 -2.24 -1.26 -4.30 114.28 108.23 1aqj n THR 336 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1aqj n THR 336 Cb 0.40 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1aqj n THR 336 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1aqj n LYS 337 N -3.73 0.00 0.00 -0.78 4.01 -1.26 -4.84 118.16 111.56 1aqj n LYS 337 Ca -0.43 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 1aqj n LYS 337 Cb 0.85 -0.98 0.00 0.00 -0.51 0.00 0.00 35.03 34.39 1aqj n LYS 337 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aqj n GLY 338 N 0.51 -2.07 2.97 0.72 0.00 -1.25 -4.27 105.19 101.81 1aqj n GLY 338 Ca 0.00 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1aqj n GLY 338 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aqj n THR 339 N -0.06 3.31 -3.90 2.61 -1.04 -1.25 -2.04 114.28 111.91 1aqj n THR 339 Ca 0.00 -3.03 -0.09 0.00 -2.04 0.00 0.00 64.05 58.89 1aqj n THR 339 Cb 0.00 -2.51 -0.08 0.00 -1.82 0.00 0.00 70.33 65.92 1aqj n THR 339 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1aqj s ARG 340 N 3.72 0.70 -0.42 -2.82 3.52 -1.26 -4.72 118.95 117.67 1aqj s ARG 340 Ca 0.50 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 55.24 1aqj s ARG 340 Cb 0.12 0.28 0.11 0.00 -1.56 0.00 0.00 34.95 33.89 1aqj s ARG 340 CO -0.02 -0.19 0.23 0.08 -0.81 0.00 0.00 175.30 174.58 1aqj s VAL 341 N -3.08 3.56 -0.27 7.11 1.01 -1.26 -4.71 120.40 122.75 1aqj s VAL 341 Ca -0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.02 1aqj s VAL 341 Cb 0.01 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1aqj s VAL 341 CO -0.07 -0.67 0.01 -0.69 0.00 0.00 0.00 175.10 173.69 1aqj s VAL 342 N 1.22 3.45 0.10 2.92 1.01 -1.26 -4.40 120.40 123.44 1aqj s VAL 342 Ca 0.07 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1aqj s VAL 342 Cb -0.23 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1aqj s VAL 342 CO -0.03 0.13 -0.19 0.00 0.00 0.00 0.00 175.10 175.02 1aqj s ALA 343 N 1.42 1.63 0.12 5.51 0.00 -1.26 -1.69 121.76 127.49 1aqj s ALA 343 Ca 0.01 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 1aqj s ALA 343 Cb -0.17 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1aqj s ALA 343 CO -0.01 0.29 0.43 0.00 0.00 0.00 0.00 175.76 176.47 1aqj s ALA 344 N -1.29 -1.04 -0.30 0.00 0.00 -0.94 -0.28 121.76 117.91 1aqj s ALA 344 Ca 0.05 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 1aqj s ALA 344 Cb -0.09 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1aqj s ALA 344 CO 0.04 -0.65 0.12 -0.46 0.00 0.00 0.00 175.76 174.80 1aqj s TRP 345 N -3.71 3.16 -1.16 0.00 -0.11 -1.26 -0.62 118.94 115.24 1aqj s TRP 345 Ca 0.02 -0.74 -0.21 0.00 1.22 0.00 0.00 56.10 56.39 1aqj s TRP 345 Cb 0.01 -2.30 0.06 0.00 -1.50 0.00 0.00 33.47 29.74 1aqj s TRP 345 CO -0.12 -0.50 1.60 0.34 -4.62 0.00 0.00 176.95 173.65 1aqj s ASP 346 N 1.56 6.64 0.39 5.86 2.15 0.21 -4.80 116.67 128.69 1aqj s ASP 346 Ca 0.04 -1.95 0.15 0.00 0.43 0.00 0.00 52.55 51.22 1aqj s ASP 346 Cb -0.17 -2.58 0.82 0.00 -0.30 0.00 0.00 42.92 40.69 1aqj s ASP 346 CO 0.04 -1.37 1.85 1.05 -0.17 0.00 0.00 175.17 176.58 1aqj h GLU 347 N 8.69 0.00 0.00 4.34 4.11 -1.93 -2.94 114.58 126.85 1aqj h GLU 347 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1aqj h GLU 347 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1aqj h GLU 347 CO 1.44 0.33 -0.51 0.54 0.07 0.00 0.00 179.01 180.89 1aqj n ARG 348 N -3.98 0.11 -3.06 1.06 1.74 -1.26 -4.74 116.66 106.53 1aqj n ARG 348 Ca -0.02 0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1aqj n ARG 348 Cb 0.39 -1.57 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1aqj n ARG 348 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqj n ALA 349 N -1.62 -2.49 -2.69 7.54 0.00 -1.13 -4.95 120.51 115.18 1aqj n ALA 349 Ca 0.05 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 1aqj n ALA 349 Cb 0.37 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 17.97 1aqj n ALA 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aqj s TYR 350 N -3.03 3.29 0.14 0.00 1.51 -1.26 -4.71 117.35 113.29 1aqj s TYR 350 Ca 0.04 -0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 1aqj s TYR 350 Cb -0.00 -1.82 -0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1aqj s TYR 350 CO 0.74 0.17 0.91 -1.25 -1.11 0.00 0.00 175.55 175.02 1aqj s PRO 351 N -4.12 4.70 0.18 -1.71 0.04 -1.26 -4.92 135.00 127.91 1aqj s PRO 351 Ca 0.40 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.93 1aqj s PRO 351 Cb -0.09 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1aqj s PRO 351 CO 0.31 0.34 -0.17 -1.58 0.04 0.00 0.00 177.00 175.94 1aqj s TRP 352 N -0.43 2.48 -1.56 0.56 0.52 -1.26 -0.58 118.94 118.68 1aqj s TRP 352 Ca 0.43 -0.28 0.19 0.00 0.02 0.00 0.00 56.10 56.45 1aqj s TRP 352 Cb -0.24 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1aqj s TRP 352 CO 0.29 0.49 0.92 -2.13 0.02 0.00 0.00 176.95 176.54 1aqj n ARG 353 N 0.22 1.43 -0.72 4.98 0.63 -0.18 -4.14 116.66 118.88 1aqj n ARG 353 Ca -0.12 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.08 1aqj n ARG 353 Cb 0.55 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1aqj n ARG 353 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1aqj n GLU 354 N -0.31 0.00 -0.21 -0.14 0.28 -1.26 -4.41 120.64 114.58 1aqj n GLU 354 Ca 0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.10 1aqj n GLU 354 Cb 0.37 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.23 1aqj n GLU 354 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aqj n GLU 355 N 0.00 -0.43 -3.50 3.44 -0.58 -1.26 -4.73 120.64 113.59 1aqj n GLU 355 Ca 0.00 0.30 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 1aqj n GLU 355 Cb 0.00 -0.52 -0.06 0.00 -0.57 0.00 0.00 31.44 30.30 1aqj n GLU 355 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1aqj s PHE 356 N -1.59 3.61 -0.14 -0.32 0.08 0.31 -4.23 117.98 115.70 1aqj s PHE 356 Ca 0.00 0.90 0.00 0.00 0.12 0.00 0.00 56.93 57.95 1aqj s PHE 356 Cb 0.00 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1aqj s PHE 356 CO 0.00 0.51 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.50 1aqj s HIS 357 N -1.38 1.95 -0.30 0.36 3.76 -0.94 -2.01 115.29 116.73 1aqj s HIS 357 Ca 0.33 -1.09 -0.09 0.00 -0.15 0.00 0.00 55.06 54.06 1aqj s HIS 357 Cb -0.15 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1aqj s HIS 357 CO 0.18 -0.62 0.14 -0.51 -0.85 0.00 0.00 174.74 173.08 1aqj s LEU 358 N 1.56 4.04 -0.15 0.89 1.43 -0.65 -0.24 118.68 125.55 1aqj s LEU 358 Ca 0.04 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1aqj s LEU 358 Cb -0.13 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1aqj s LEU 358 CO -0.10 -0.18 0.01 -0.76 0.23 0.00 0.00 176.35 175.56 1aqj s LEU 359 N 1.61 3.54 0.54 1.79 2.01 -0.17 -3.63 118.68 124.37 1aqj s LEU 359 Ca 0.05 0.01 -0.21 0.00 0.01 0.00 0.00 54.13 53.98 1aqj s LEU 359 Cb -0.17 -1.86 -0.05 0.00 0.01 0.00 0.00 46.19 44.12 1aqj s LEU 359 CO 0.06 0.21 1.28 -2.84 1.01 0.00 0.00 176.35 176.06 1aqj s PRO 360 N 0.14 3.25 0.39 1.29 0.02 -1.26 0.16 135.00 138.98 1aqj s PRO 360 Ca 0.02 2.03 -0.15 0.00 0.02 0.00 0.00 61.00 62.91 1aqj s PRO 360 Cb -0.13 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.09 1aqj s PRO 360 CO 0.02 -1.04 0.82 0.15 -0.33 0.00 0.00 177.00 176.61 1aqj s LYS 361 N -2.95 3.99 0.14 5.54 1.02 -0.32 -4.70 119.74 122.46 1aqj s LYS 361 Ca 0.71 0.75 -0.35 0.00 0.02 0.00 0.00 55.97 57.10 1aqj s LYS 361 Cb -0.35 -2.34 -0.15 0.00 -0.52 0.00 0.00 37.83 34.47 1aqj s LYS 361 CO 0.41 0.02 1.51 -1.91 -0.92 0.00 0.00 175.35 174.46 1aqj n GLU 362 N -0.78 1.87 0.00 1.68 2.13 -1.26 -0.85 120.64 123.43 1aqj n GLU 362 Ca 0.04 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1aqj n GLU 362 Cb 0.54 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1aqj n GLU 362 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aqj n GLY 363 N 3.15 2.98 3.72 8.31 0.00 -1.26 -4.97 105.19 117.11 1aqj n GLY 363 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1aqj n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqj s VAL 364 N -2.58 4.56 -0.06 1.61 1.01 -0.03 -0.51 120.40 124.40 1aqj s VAL 364 Ca 0.00 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.96 1aqj s VAL 364 Cb 0.00 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 1aqj s VAL 364 CO 0.00 0.21 -0.18 -0.13 0.00 0.00 0.00 175.10 175.00 1aqj s ARG 365 N 0.60 2.05 0.15 2.72 0.52 0.10 -4.83 118.95 120.26 1aqj s ARG 365 Ca 0.51 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.97 1aqj s ARG 365 Cb -0.24 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.54 1aqj s ARG 365 CO 0.29 0.20 0.32 -0.48 0.02 0.00 0.00 175.30 175.66 1aqj s LEU 366 N 0.20 0.82 -0.52 2.53 0.05 -1.26 -0.08 118.68 120.41 1aqj s LEU 366 Ca -0.08 -0.67 -0.13 0.00 0.05 0.00 0.00 54.13 53.30 1aqj s LEU 366 Cb -0.14 1.43 0.13 0.00 -2.05 0.00 0.00 46.19 45.56 1aqj s LEU 366 CO 0.04 -0.88 0.43 -0.62 -0.55 0.00 0.00 176.35 174.77 1aqj s ASP 367 N -2.90 5.97 0.16 1.48 2.15 0.77 -4.99 116.67 119.31 1aqj s ASP 367 Ca 0.11 -1.88 -0.27 0.00 0.43 0.00 0.00 52.55 50.95 1aqj s ASP 367 Cb 0.03 -2.12 0.02 0.00 -0.30 0.00 0.00 42.92 40.55 1aqj s ASP 367 CO -0.05 -0.77 1.57 -0.65 -0.17 0.00 0.00 175.17 175.09 1aqj h PRO 368 N 8.65 -0.24 -0.48 4.34 0.11 -1.99 0.11 132.00 142.50 1aqj h PRO 368 Ca -0.25 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.92 1aqj h PRO 368 Cb 1.08 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1aqj h PRO 368 CO 0.95 -0.16 0.23 0.66 -0.21 0.00 0.00 178.00 179.47 1aqj h SER 369 N -0.25 0.32 0.34 -2.05 4.64 -1.98 -0.05 113.55 114.52 1aqj h SER 369 Ca 0.17 0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 1aqj h SER 369 Cb 0.56 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1aqj h SER 369 CO -0.68 0.23 -0.72 0.77 -0.87 0.00 0.00 176.83 175.55 1aqj h SER 370 N 0.46 0.39 0.54 4.97 4.64 -1.86 -2.21 113.55 120.48 1aqj h SER 370 Ca 0.21 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1aqj h SER 370 Cb 0.13 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1aqj h SER 370 CO -0.16 0.99 -0.26 0.25 -0.87 0.00 0.00 176.83 176.78 1aqj h LEU 371 N 0.22 -0.61 -0.30 5.97 6.46 -0.33 -1.09 115.31 125.64 1aqj h LEU 371 Ca -0.03 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1aqj h LEU 371 Cb 1.29 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 41.31 1aqj h LEU 371 CO 0.12 -0.39 -0.17 0.58 -0.62 0.00 0.00 178.44 177.96 1aqj h VAL 372 N -0.80 0.50 -0.97 1.05 2.07 -1.05 -0.10 116.25 116.96 1aqj h VAL 372 Ca -0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.62 1aqj h VAL 372 Cb 0.59 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 1aqj h VAL 372 CO 0.12 0.00 0.57 -0.61 0.02 0.00 0.00 177.57 177.67 1aqj h GLN 373 N -0.13 0.73 0.18 1.57 4.15 -1.24 -1.83 115.11 118.54 1aqj h GLN 373 Ca 0.16 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1aqj h GLN 373 Cb 0.37 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1aqj h GLN 373 CO -0.38 0.48 -0.09 2.35 -1.93 0.00 0.00 178.83 179.26 1aqj h TRP 374 N 0.75 -0.22 -0.25 3.99 -0.00 0.26 -2.61 115.95 117.86 1aqj h TRP 374 Ca 0.55 -0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.50 1aqj h TRP 374 Cb 0.81 0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.03 1aqj h TRP 374 CO -0.03 0.08 0.19 -0.07 -0.00 0.00 0.00 178.44 178.61 1aqj h LEU 375 N -0.54 0.00 -1.48 0.65 3.38 -0.33 -0.66 115.31 116.34 1aqj h LEU 375 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1aqj h LEU 375 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1aqj h LEU 375 CO 0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.16 1aqj n ASN 376 N -4.41 2.30 -4.72 -0.43 3.02 -0.86 -4.72 115.26 105.43 1aqj n ASN 376 Ca 0.03 -1.77 -0.32 0.00 -0.03 0.00 0.00 54.58 52.49 1aqj n ASN 376 Cb 0.34 -0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.62 1aqj n ASN 376 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1aqj s SER 377 N -2.00 3.96 0.42 6.41 1.04 -0.25 -4.85 113.70 118.42 1aqj s SER 377 Ca 0.33 2.12 0.12 0.00 0.48 0.00 0.00 55.95 59.00 1aqj s SER 377 Cb 0.20 -2.56 0.89 0.00 0.10 0.00 0.00 66.02 64.66 1aqj s SER 377 CO 0.32 -2.41 1.96 -0.08 0.98 0.00 0.00 173.24 174.01 1aqj h GLU 378 N -0.99 0.15 -0.59 4.02 4.81 -1.91 -1.33 114.58 118.74 1aqj h GLU 378 Ca -0.45 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 1aqj h GLU 378 Cb 1.26 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1aqj h GLU 378 CO 0.48 0.28 0.07 0.00 -0.73 0.00 0.00 179.01 179.12 1aqj h ALA 379 N 1.73 1.01 -0.51 2.92 0.00 -1.91 -0.05 119.26 122.46 1aqj h ALA 379 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1aqj h ALA 379 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1aqj h ALA 379 CO 0.02 0.62 -0.16 1.98 0.00 0.00 0.00 179.25 181.71 1aqj h MET 380 N 0.91 1.00 -0.14 0.00 1.85 -1.51 -1.48 114.93 115.57 1aqj h MET 380 Ca 0.18 -0.40 -0.02 0.00 -0.61 0.00 0.00 59.70 58.85 1aqj h MET 380 Cb 0.43 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 1aqj h MET 380 CO 0.01 1.08 0.01 1.96 -0.40 0.00 0.00 176.91 179.57 1aqj h GLN 381 N 0.87 0.24 -0.68 0.39 1.08 -1.01 -2.36 115.11 113.64 1aqj h GLN 381 Ca 0.12 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 1aqj h GLN 381 Cb 0.73 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.09 1aqj h GLN 381 CO 0.06 0.46 0.39 0.87 -0.95 0.00 0.00 178.83 179.66 1aqj h LYS 382 N -0.01 0.71 -0.29 1.46 1.57 -0.96 -0.13 116.57 118.92 1aqj h LYS 382 Ca 0.04 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1aqj h LYS 382 Cb 0.35 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1aqj h LYS 382 CO 0.01 0.47 0.00 1.25 -0.57 0.00 0.00 179.45 180.60 1aqj h HIS 383 N 0.73 -0.01 -0.30 -1.35 2.76 -1.12 0.66 115.15 116.51 1aqj h HIS 383 Ca 0.30 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.31 1aqj h HIS 383 Cb 0.15 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1aqj h HIS 383 CO -0.07 -0.05 -0.53 0.28 -1.30 0.00 0.00 177.93 176.27 1aqj h VAL 384 N 0.09 1.28 -0.32 5.26 2.07 -1.00 -2.97 116.25 120.65 1aqj h VAL 384 Ca 0.14 -1.71 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 1aqj h VAL 384 Cb 0.18 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1aqj h VAL 384 CO -0.23 0.56 -0.18 -0.09 0.02 0.00 0.00 177.57 177.64 1aqj h ARG 385 N 0.67 0.69 -0.10 1.57 2.43 -0.85 -2.03 114.38 116.76 1aqj h ARG 385 Ca 0.02 -0.32 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1aqj h ARG 385 Cb 1.13 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1aqj h ARG 385 CO 0.12 0.92 -0.17 1.15 -1.51 0.00 0.00 179.97 180.47 1aqj h THR 386 N 0.46 0.56 0.78 0.20 2.02 -0.91 0.23 112.91 116.25 1aqj h THR 386 Ca 0.07 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1aqj h THR 386 Cb 0.73 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1aqj h THR 386 CO 0.05 0.00 -0.38 -0.07 0.37 0.00 0.00 175.52 175.50 1aqj h LEU 387 N -0.23 -0.89 -0.46 2.58 3.38 -1.51 -3.38 115.31 114.80 1aqj h LEU 387 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1aqj h LEU 387 Cb 0.36 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1aqj h LEU 387 CO -0.24 -0.56 -0.67 -1.22 0.09 0.00 0.00 178.44 175.84 1aqj n TYR 388 N -5.23 0.00 0.00 1.13 4.01 -0.77 -1.51 117.16 114.79 1aqj n TYR 388 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1aqj n TYR 388 Cb 0.41 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1aqj n TYR 388 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1aqj n ARG 389 N -0.80 0.00 -0.86 -0.72 1.74 0.07 -1.35 116.66 114.74 1aqj n ARG 389 Ca 0.07 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.18 1aqj n ARG 389 Cb 0.39 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.00 1aqj n ARG 389 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1aqj n ASP 390 N 3.25 1.87 -0.21 0.55 5.68 -1.26 -4.80 116.55 121.61 1aqj n ASP 390 Ca 0.00 -3.61 0.02 0.00 -0.50 0.00 0.00 54.79 50.70 1aqj n ASP 390 Cb 0.00 -0.48 0.13 0.00 -1.14 0.00 0.00 41.12 39.63 1aqj n ASP 390 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1aqj h PHE 391 N 1.12 0.20 -2.93 2.11 0.04 -1.56 -3.41 116.94 112.50 1aqj h PHE 391 Ca -0.00 0.04 -0.44 0.00 2.80 0.00 0.00 57.97 60.37 1aqj h PHE 391 Cb 1.17 0.01 -0.14 0.00 2.20 0.00 0.00 35.95 39.19 1aqj h PHE 391 CO 0.69 -0.06 -0.73 0.14 -0.60 0.00 0.00 178.31 177.74 1aqj s VAL 392 N -6.09 1.68 -2.00 -0.55 -7.23 -1.26 -3.91 120.40 101.04 1aqj s VAL 392 Ca -0.13 -2.19 0.28 0.00 -1.81 0.00 0.00 61.98 58.12 1aqj s VAL 392 Cb 0.19 -2.02 0.79 0.00 0.56 0.00 0.00 36.38 35.90 1aqj s VAL 392 CO 0.74 -0.61 2.03 -0.81 -0.31 0.00 0.00 175.10 176.14 1aqj n PRO 393 N -0.36 0.93 -3.48 4.82 -0.04 -1.26 -4.63 135.00 130.99 1aqj n PRO 393 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 1aqj n PRO 393 Cb 0.60 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1aqj n PRO 393 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1aqj s HIS 394 N -2.00 -0.52 0.12 0.54 -3.43 -1.26 -3.75 115.29 104.99 1aqj s HIS 394 Ca 0.42 0.57 -0.31 0.00 -0.80 0.00 0.00 55.06 54.93 1aqj s HIS 394 Cb 0.19 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.74 1aqj s HIS 394 CO 0.32 -0.67 1.80 -1.17 -2.00 0.00 0.00 174.74 173.02 1aqj s LEU 395 N -2.09 4.39 0.46 5.38 2.96 -0.86 -4.68 118.68 124.24 1aqj s LEU 395 Ca -0.02 2.73 0.08 0.00 -0.22 0.00 0.00 54.13 56.70 1aqj s LEU 395 Cb -0.01 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1aqj s LEU 395 CO -0.04 -0.99 0.60 0.42 -1.32 0.00 0.00 176.35 175.02 1aqj s THR 396 N 2.68 2.72 0.10 3.68 -4.23 -1.26 -4.71 115.64 114.61 1aqj s THR 396 Ca 0.80 -1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 1aqj s THR 396 Cb -0.45 -2.76 -0.13 0.00 1.34 0.00 0.00 72.50 70.49 1aqj s THR 396 CO 0.36 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.39 1aqj h LEU 397 N 0.56 -0.22 -1.40 4.79 5.85 -1.98 0.11 115.31 123.02 1aqj h LEU 397 Ca -0.37 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.44 1aqj h LEU 397 Cb 1.28 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1aqj h LEU 397 CO 0.45 -0.13 0.47 0.03 -0.34 0.00 0.00 178.44 178.92 1aqj h ARG 398 N -0.19 0.70 -0.36 1.25 2.47 -1.95 0.32 114.38 116.62 1aqj h ARG 398 Ca 0.01 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.52 1aqj h ARG 398 Cb 0.18 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1aqj h ARG 398 CO -0.03 0.46 -0.41 0.52 0.56 0.00 0.00 179.97 181.07 1aqj h MET 399 N 0.72 0.89 0.16 0.04 2.86 -1.82 -3.33 114.93 114.46 1aqj h MET 399 Ca 0.31 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1aqj h MET 399 Cb 0.29 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1aqj h MET 399 CO -0.10 1.13 -0.08 1.25 1.06 0.00 0.00 176.91 180.16 1aqj h LEU 400 N 0.72 -0.19 -1.17 1.22 5.85 0.12 -3.31 115.31 118.55 1aqj h LEU 400 Ca 0.05 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1aqj h LEU 400 Cb 1.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1aqj h LEU 400 CO 0.10 0.31 0.36 1.05 -0.34 0.00 0.00 178.44 179.92 1aqj h GLU 401 N -0.75 0.00 -0.11 1.25 4.11 -0.59 -1.44 114.58 117.05 1aqj h GLU 401 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1aqj h GLU 401 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1aqj h GLU 401 CO 0.04 0.00 -0.03 2.89 0.07 0.00 0.00 179.01 181.97 1aqj n ARG 402 N -2.34 1.89 -2.17 1.06 1.85 -1.24 -0.21 116.66 115.49 1aqj n ARG 402 Ca -0.01 -2.75 -0.41 0.00 -1.00 0.00 0.00 57.85 53.68 1aqj n ARG 402 Cb 0.39 -1.65 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 1aqj n ARG 402 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1aqj s LEU 403 N -2.91 4.43 -0.06 2.89 1.43 -0.54 -4.68 118.68 119.24 1aqj s LEU 403 Ca 0.37 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 55.73 1aqj s LEU 403 Cb 0.31 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 1aqj s LEU 403 CO 0.04 -0.51 0.94 -2.16 0.23 0.00 0.00 176.35 174.90 1aqj s PRO 404 N -1.08 4.47 -0.24 1.29 0.04 -1.26 -0.53 135.00 137.70 1aqj s PRO 404 Ca 0.52 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1aqj s PRO 404 Cb -0.38 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 1aqj s PRO 404 CO 0.46 -0.16 0.02 0.08 0.04 0.00 0.00 177.00 177.44 1aqj s VAL 405 N 1.44 3.79 0.65 -0.36 1.01 0.51 -4.87 120.40 122.57 1aqj s VAL 405 Ca 0.48 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1aqj s VAL 405 Cb -0.19 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1aqj s VAL 405 CO 0.22 0.34 1.14 -0.13 0.00 0.00 0.00 175.10 176.67 1aqj s ARG 406 N 1.53 2.76 0.54 2.72 1.81 -1.26 -0.41 118.95 126.64 1aqj s ARG 406 Ca 0.05 1.52 0.24 0.00 -1.72 0.00 0.00 55.73 55.82 1aqj s ARG 406 Cb -0.15 -1.93 1.42 0.00 -0.45 0.00 0.00 34.95 33.83 1aqj s ARG 406 CO 0.00 -1.30 2.04 0.07 -0.68 0.00 0.00 175.30 175.43 1aqj h ARG 407 N 0.19 0.00 -0.61 3.54 -0.00 -1.79 -2.39 114.38 113.31 1aqj h ARG 407 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 1aqj h ARG 407 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.23 1aqj h ARG 407 CO 0.54 0.00 0.00 -0.85 -0.00 0.00 0.00 179.97 179.66 1aqj n GLU 408 N -4.30 1.41 0.00 0.08 0.00 -1.26 -3.88 120.64 112.69 1aqj n GLU 408 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 57.16 56.82 1aqj n GLU 408 Cb 0.46 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.50 1aqj n GLU 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1aqj n TYR 409 N -0.03 -0.03 -3.80 -1.84 4.01 -0.90 -4.92 117.16 109.63 1aqj n TYR 409 Ca 0.04 0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1aqj n TYR 409 Cb 0.26 0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.22 1aqj n TYR 409 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1aqj s GLY 410 N -4.94 0.03 0.02 2.72 0.00 -1.21 -0.17 107.32 103.78 1aqj s GLY 410 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.01 1aqj s GLY 410 CO 0.00 0.48 -0.08 -0.11 0.00 0.00 0.00 173.10 173.39 1aqj s PHE 411 N 0.65 0.68 -0.55 1.90 -0.71 0.88 -4.52 117.98 116.30 1aqj s PHE 411 Ca -0.05 -0.33 -0.19 0.00 -1.04 0.00 0.00 56.93 55.32 1aqj s PHE 411 Cb -0.07 -0.41 0.08 0.00 -1.21 0.00 0.00 43.02 41.41 1aqj s PHE 411 CO -0.02 -0.04 0.66 -1.58 -1.34 0.00 0.00 175.22 172.90 1aqj s HIS 412 N -0.83 3.03 -2.65 3.49 2.46 -1.26 0.01 115.29 119.53 1aqj s HIS 412 Ca -0.04 -0.79 0.27 0.00 0.47 0.00 0.00 55.06 54.97 1aqj s HIS 412 Cb -0.07 -3.78 0.79 0.00 -0.13 0.00 0.00 32.58 29.39 1aqj s HIS 412 CO 0.00 -1.17 1.60 2.41 -2.47 0.00 0.00 174.74 175.11