#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmj s VAL 8 N 0.00 4.56 -0.41 2.28 -7.23 -1.26 -4.93 120.40 113.42 3dmj s VAL 8 Ca 0.00 1.84 -0.28 0.00 -1.81 0.00 0.00 61.98 61.73 3dmj s VAL 8 Cb 0.00 -4.18 -0.01 0.00 0.56 0.00 0.00 36.38 32.75 3dmj s VAL 8 CO 0.00 0.14 1.72 -2.16 -0.31 0.00 0.00 175.10 174.49 3dmj s PRO 9 N 1.07 3.24 0.12 4.82 0.04 -1.26 -4.49 135.00 138.54 3dmj s PRO 9 Ca 0.54 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 3dmj s PRO 9 Cb -0.24 -4.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.05 3dmj s PRO 9 CO 0.28 -1.97 0.37 0.08 0.04 0.00 0.00 177.00 175.80 3dmj s VAL 10 N 6.99 5.16 0.16 -0.36 1.01 -1.26 -5.10 120.40 127.00 3dmj s VAL 10 Ca 0.73 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.89 3dmj s VAL 10 Cb -0.18 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3dmj s VAL 10 CO 0.31 0.12 -0.08 -0.54 0.00 0.00 0.00 175.10 174.90 3dmj s LYS 11 N -2.42 1.09 0.63 2.72 -0.14 -1.26 -4.72 119.74 115.63 3dmj s LYS 11 Ca 0.38 -1.48 -0.09 0.00 -1.36 0.00 0.00 55.97 53.42 3dmj s LYS 11 Cb -0.13 -0.59 -0.01 0.00 -1.68 0.00 0.00 37.83 35.43 3dmj s LYS 11 CO 0.22 0.04 1.00 -0.51 -0.76 0.00 0.00 175.35 175.34 3dmj s LEU 12 N -3.18 3.17 0.71 3.17 1.43 -1.26 -1.38 118.68 121.33 3dmj s LEU 12 Ca 0.18 1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 54.25 3dmj s LEU 12 Cb 0.03 -4.02 0.03 0.00 0.03 0.00 0.00 46.19 42.26 3dmj s LEU 12 CO 0.01 -1.03 1.19 -0.54 0.23 0.00 0.00 176.35 176.21 3dmj s LYS 13 N -5.15 2.30 0.00 1.70 1.02 0.37 -4.45 119.74 115.53 3dmj s LYS 13 Ca 0.55 1.71 -0.38 0.00 0.02 0.00 0.00 55.97 57.87 3dmj s LYS 13 Cb -0.11 -1.86 -0.17 0.00 -0.52 0.00 0.00 37.83 35.17 3dmj s LYS 13 CO 0.50 -1.70 1.35 -2.30 -0.92 0.00 0.00 175.35 172.28 3dmj n PRO 14 N -2.59 0.88 -0.28 -1.68 -0.02 -1.26 -1.34 135.00 128.71 3dmj n PRO 14 Ca 0.13 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3dmj n PRO 14 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3dmj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmj n GLY 15 N 2.59 1.41 3.68 -1.23 0.00 -1.26 -4.97 105.19 105.41 3dmj n GLY 15 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3dmj n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dmj s MET 16 N -0.14 4.39 0.52 1.61 -1.94 -0.45 -5.04 119.30 118.25 3dmj s MET 16 Ca 0.00 1.32 -0.00 0.00 -1.71 0.00 0.00 55.69 55.30 3dmj s MET 16 Cb 0.00 -3.55 0.02 0.00 2.01 0.00 0.00 34.83 33.30 3dmj s MET 16 CO 0.00 -0.34 0.75 0.34 -0.01 0.00 0.00 175.02 175.76 3dmj s ASP 17 N 1.11 5.53 0.94 3.03 2.15 -1.26 -4.68 116.67 123.48 3dmj s ASP 17 Ca 0.46 0.20 -0.11 0.00 0.43 0.00 0.00 52.55 53.53 3dmj s ASP 17 Cb -0.18 -1.25 0.16 0.00 -0.30 0.00 0.00 42.92 41.35 3dmj s ASP 17 CO 0.16 -0.96 1.10 -0.83 -0.17 0.00 0.00 175.17 174.47 3dmj s GLY 18 N -4.33 1.64 0.29 2.66 0.00 -1.26 -4.98 107.32 101.35 3dmj s GLY 18 Ca 0.53 0.25 -0.28 0.00 0.00 0.00 0.00 44.72 45.21 3dmj s GLY 18 CO 0.39 0.73 1.02 2.56 0.00 0.00 0.00 173.10 177.80 3dmj s PRO 19 N -4.71 4.64 -0.34 2.90 0.04 -1.26 -4.96 135.00 131.29 3dmj s PRO 19 Ca 0.65 1.59 0.16 0.00 0.04 0.00 0.00 61.00 63.44 3dmj s PRO 19 Cb -0.21 -3.07 0.45 0.00 0.04 0.00 0.00 34.50 31.71 3dmj s PRO 19 CO 0.59 0.27 0.96 1.63 0.04 0.00 0.00 177.00 180.49 3dmj n LYS 20 N 1.01 1.50 -2.70 4.56 5.02 -1.19 -0.08 118.16 126.29 3dmj n LYS 20 Ca -0.00 -3.47 -0.41 0.00 -2.02 0.00 0.00 58.31 52.41 3dmj n LYS 20 Cb 0.47 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 3dmj n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dmj s VAL 21 N -3.46 4.51 0.42 -0.18 1.01 0.40 -4.80 120.40 118.31 3dmj s VAL 21 Ca 0.31 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 64.08 3dmj s VAL 21 Cb 0.44 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 3dmj s VAL 21 CO -0.00 0.27 1.02 -1.59 0.00 0.00 0.00 175.10 174.80 3dmj s LYS 22 N 0.22 4.12 0.08 2.72 -2.85 -1.26 -4.05 119.74 118.72 3dmj s LYS 22 Ca 0.49 1.39 -0.30 0.00 -1.00 0.00 0.00 55.97 56.54 3dmj s LYS 22 Cb -0.24 -2.39 -0.06 0.00 -2.06 0.00 0.00 37.83 33.09 3dmj s LYS 22 CO 0.30 -0.16 1.11 -1.14 0.10 0.00 0.00 175.35 175.55 3dmj s GLN 23 N -2.76 4.52 0.38 1.78 2.00 -1.26 -4.64 119.66 119.68 3dmj s GLN 23 Ca 0.60 1.65 -0.17 0.00 -2.00 0.00 0.00 55.36 55.44 3dmj s GLN 23 Cb -0.18 -3.36 -0.10 0.00 0.80 0.00 0.00 33.01 30.18 3dmj s GLN 23 CO 0.23 -0.09 0.84 -1.58 -0.50 0.00 0.00 175.29 174.19 3dmj s TRP 24 N 0.63 3.35 0.39 1.67 0.51 -1.26 -4.99 118.94 119.24 3dmj s TRP 24 Ca 0.54 1.39 -0.27 0.00 -2.12 0.00 0.00 56.10 55.64 3dmj s TRP 24 Cb -0.27 -2.68 -0.09 0.00 -0.81 0.00 0.00 33.47 29.62 3dmj s TRP 24 CO 0.30 -0.02 1.38 -1.25 -0.51 0.00 0.00 176.95 176.85 3dmj s PRO 25 N -3.15 4.01 0.32 4.98 0.04 -1.26 -4.93 135.00 135.02 3dmj s PRO 25 Ca 0.58 2.33 0.10 0.00 0.04 0.00 0.00 61.00 64.05 3dmj s PRO 25 Cb -0.10 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 3dmj s PRO 25 CO 0.17 -0.52 -0.06 -0.51 0.04 0.00 0.00 177.00 176.12 3dmj s LEU 26 N -2.29 2.87 0.40 -3.56 1.43 -1.26 -5.12 118.68 111.14 3dmj s LEU 26 Ca 0.55 -1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 3dmj s LEU 26 Cb -0.42 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.43 3dmj s LEU 26 CO 0.55 -0.13 0.89 0.42 0.23 0.00 0.00 176.35 178.30 3dmj s THR 27 N -2.51 4.48 0.18 5.49 -4.23 -1.26 -4.87 115.64 112.92 3dmj s THR 27 Ca 0.33 1.32 -0.19 0.00 -1.18 0.00 0.00 61.69 61.97 3dmj s THR 27 Cb -0.02 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.34 3dmj s THR 27 CO 0.18 -0.29 1.62 -0.08 -0.54 0.00 0.00 174.62 175.51 3dmj h GLU 28 N 1.98 -0.13 -0.64 3.99 4.81 -2.00 0.11 114.58 122.71 3dmj h GLU 28 Ca -0.49 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 3dmj h GLU 28 Cb 1.18 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 3dmj h GLU 28 CO 0.62 -0.09 -0.26 1.49 -0.73 0.00 0.00 179.01 180.05 3dmj h GLU 29 N -0.14 -0.09 -0.28 1.92 4.81 -2.00 0.10 114.58 118.91 3dmj h GLU 29 Ca 0.22 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3dmj h GLU 29 Cb 0.48 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3dmj h GLU 29 CO -0.55 -0.06 -0.12 0.87 -0.73 0.00 0.00 179.01 178.42 3dmj h LYS 30 N -0.09 0.47 -0.29 1.92 1.57 -1.37 -2.66 116.57 116.12 3dmj h LYS 30 Ca 0.28 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3dmj h LYS 30 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3dmj h LYS 30 CO -0.70 0.59 -0.20 0.82 -0.57 0.00 0.00 179.45 179.39 3dmj h ILE 31 N 0.43 1.30 -0.28 1.86 2.04 0.15 -2.41 117.51 120.60 3dmj h ILE 31 Ca 0.08 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.63 3dmj h ILE 31 Cb 0.48 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3dmj h ILE 31 CO 0.03 0.43 0.12 0.11 0.00 0.00 0.00 178.15 178.83 3dmj h LYS 32 N 0.38 0.25 -0.05 2.37 1.57 -0.92 -1.32 116.57 118.85 3dmj h LYS 32 Ca 0.06 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3dmj h LYS 32 Cb 0.75 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 3dmj h LYS 32 CO 0.05 0.17 -0.35 0.00 -0.57 0.00 0.00 179.45 178.75 3dmj h ALA 33 N 1.16 -0.48 -0.45 3.86 0.00 -1.41 -1.19 119.26 120.74 3dmj h ALA 33 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dmj h ALA 33 Cb 0.07 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3dmj h ALA 33 CO -0.10 -0.85 0.25 -0.07 0.00 0.00 0.00 179.25 178.48 3dmj h LEU 34 N -0.47 0.54 -0.61 0.00 3.38 -1.16 0.18 115.31 117.18 3dmj h LEU 34 Ca 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dmj h LEU 34 Cb 0.58 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3dmj h LEU 34 CO -0.32 0.43 0.22 0.58 0.09 0.00 0.00 178.44 179.45 3dmj h VAL 35 N 0.62 1.24 0.29 1.22 2.07 -0.53 0.27 116.25 121.41 3dmj h VAL 35 Ca 0.16 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3dmj h VAL 35 Cb 0.01 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3dmj h VAL 35 CO -0.03 0.29 -0.14 -0.33 0.02 0.00 0.00 177.57 177.39 3dmj h GLU 36 N 0.85 -0.37 -0.37 1.57 5.08 -0.02 0.10 114.58 121.42 3dmj h GLU 36 Ca 0.20 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3dmj h GLU 36 Cb 0.23 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 3dmj h GLU 36 CO -0.01 -0.11 -0.06 0.82 -1.00 0.00 0.00 179.01 178.65 3dmj h ILE 37 N -0.60 0.66 -0.16 3.13 2.04 -0.91 -1.90 117.51 119.78 3dmj h ILE 37 Ca -0.04 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 3dmj h ILE 37 Cb 0.43 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3dmj h ILE 37 CO 0.06 0.01 -0.38 0.00 0.00 0.00 0.00 178.15 177.84 3dmj h THR 39 N 0.29 1.22 -0.07 0.00 2.02 -0.27 0.58 112.91 116.69 3dmj h THR 39 Ca 0.03 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3dmj h THR 39 Cb 0.81 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3dmj h THR 39 CO 0.06 0.26 0.00 -0.08 0.37 0.00 0.00 175.52 176.14 3dmj h GLU 40 N 0.86 0.13 -0.93 6.66 4.57 -1.14 -2.22 114.58 122.51 3dmj h GLU 40 Ca 0.21 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.45 3dmj h GLU 40 Cb 0.15 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.66 3dmj h GLU 40 CO -0.02 0.39 0.60 0.52 -1.18 0.00 0.00 179.01 179.32 3dmj h MET 41 N -0.15 0.93 0.15 1.92 2.86 -1.03 -0.60 114.93 119.01 3dmj h MET 41 Ca 0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dmj h MET 41 Cb 0.33 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3dmj h MET 41 CO 0.00 0.61 -0.13 1.49 1.06 0.00 0.00 176.91 179.95 3dmj h GLU 42 N 0.96 -0.29 -0.68 1.72 4.81 -0.69 0.18 114.58 120.59 3dmj h GLU 42 Ca 0.43 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.82 3dmj h GLU 42 Cb 0.39 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.74 3dmj h GLU 42 CO -0.19 -0.19 0.20 0.87 -0.73 0.00 0.00 179.01 178.96 3dmj h LYS 43 N -0.30 0.31 -0.08 1.92 1.57 -0.54 0.28 116.57 119.74 3dmj h LYS 43 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3dmj h LYS 43 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3dmj h LYS 43 CO -0.02 0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 3dmj n GLU 44 N -5.09 0.94 -2.18 3.15 1.02 -0.40 -4.87 120.64 113.21 3dmj n GLU 44 Ca 0.12 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.07 3dmj n GLU 44 Cb 0.38 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 3dmj n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dmj n GLY 45 N 0.41 0.11 0.08 0.62 0.00 0.98 -4.86 105.19 102.53 3dmj n GLY 45 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3dmj n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dmj h LYS 46 N 0.00 0.00 -4.09 1.61 1.57 -1.16 -3.44 116.57 111.05 3dmj h LYS 46 Ca -0.44 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.22 3dmj h LYS 46 Cb 1.31 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.46 3dmj h LYS 46 CO 0.55 0.74 -0.63 0.96 -0.57 0.00 0.00 179.45 180.49 3dmj s ILE 47 N -2.73 0.18 -0.00 1.86 -4.36 -1.24 -1.30 121.20 113.60 3dmj s ILE 47 Ca -0.00 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3dmj s ILE 47 Cb 0.09 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.60 3dmj s ILE 47 CO 0.81 -0.83 -0.02 -0.44 0.24 0.00 0.00 174.94 174.71 3dmj s SER 48 N -2.55 0.26 0.56 4.36 0.01 -0.90 -4.27 113.70 111.16 3dmj s SER 48 Ca 0.01 -0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.03 3dmj s SER 48 Cb 0.03 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 3dmj s SER 48 CO -0.08 0.01 1.26 -0.54 0.41 0.00 0.00 173.24 174.30 3dmj s LYS 49 N 0.08 3.14 0.38 12.44 1.02 -1.26 -2.13 119.74 133.40 3dmj s LYS 49 Ca -0.00 1.98 0.05 0.00 0.02 0.00 0.00 55.97 58.02 3dmj s LYS 49 Cb -0.02 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 3dmj s LYS 49 CO -0.00 -1.11 0.03 0.96 -0.92 0.00 0.00 175.35 174.31 3dmj s ILE 50 N -1.46 1.56 0.00 2.17 -4.36 -0.66 -4.89 121.20 113.56 3dmj s ILE 50 Ca 0.73 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 3dmj s ILE 50 Cb -0.34 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.52 3dmj s ILE 50 CO 0.39 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.18 3dmj n GLY 51 N -0.86 1.48 0.16 6.27 0.00 -1.26 -4.72 105.19 106.25 3dmj n GLY 51 Ca -0.05 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 43.99 3dmj n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dmj h PRO 52 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.25 132.00 128.48 3dmj h PRO 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3dmj h PRO 52 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3dmj h PRO 52 CO 0.00 0.40 0.00 -0.85 -0.23 0.00 0.00 178.00 177.32 3dmj n GLU 53 N -3.20 0.01 -3.51 0.86 0.00 -1.26 -3.85 120.64 109.69 3dmj n GLU 53 Ca 0.02 0.51 -0.42 0.00 0.00 0.00 0.00 57.16 57.27 3dmj n GLU 53 Cb 0.69 -1.55 -0.09 0.00 0.00 0.00 0.00 31.44 30.49 3dmj n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3dmj s ASN 54 N -3.11 5.86 0.22 -1.84 3.84 -1.23 -4.94 114.94 113.75 3dmj s ASN 54 Ca -0.00 -1.35 0.24 0.00 0.21 0.00 0.00 52.86 51.97 3dmj s ASN 54 Cb 0.01 -2.07 0.43 0.00 -0.55 0.00 0.00 41.25 39.07 3dmj s ASN 54 CO 0.02 -0.56 1.47 1.55 -2.79 0.00 0.00 177.10 176.80 3dmj h PRO 55 N 8.55 0.00 -7.33 0.43 0.13 -1.89 -3.48 132.00 128.42 3dmj h PRO 55 Ca -0.25 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.37 3dmj h PRO 55 Cb 1.10 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.36 3dmj h PRO 55 CO 0.79 0.00 0.31 0.71 -0.23 0.00 0.00 178.00 179.58 3dmj s TYR 56 N -3.18 2.58 -0.27 1.56 2.02 -1.26 -4.83 117.35 113.96 3dmj s TYR 56 Ca 0.07 1.45 -0.26 0.00 -0.37 0.00 0.00 57.07 57.96 3dmj s TYR 56 Cb 0.11 -3.06 0.14 0.00 -0.40 0.00 0.00 41.96 38.75 3dmj s TYR 56 CO 0.68 -1.89 1.15 1.21 -1.57 0.00 0.00 175.55 175.14 3dmj s ASN 57 N -3.46 -0.31 -0.05 2.29 3.84 0.89 -4.75 114.94 113.38 3dmj s ASN 57 Ca 0.61 0.57 0.03 0.00 0.21 0.00 0.00 52.86 54.28 3dmj s ASN 57 Cb -0.17 0.56 0.01 0.00 -0.55 0.00 0.00 41.25 41.10 3dmj s ASN 57 CO 0.56 -0.13 -0.11 -0.89 -2.79 0.00 0.00 177.10 173.74 3dmj s THR 58 N -0.04 1.01 0.74 -5.21 2.01 -0.17 -0.45 115.64 113.52 3dmj s THR 58 Ca 0.04 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 3dmj s THR 58 Cb -0.04 -0.91 0.04 0.00 0.01 0.00 0.00 72.50 71.60 3dmj s THR 58 CO -0.08 0.32 1.16 -2.16 -0.69 0.00 0.00 174.62 173.17 3dmj s PRO 59 N 0.41 2.20 0.05 4.92 0.04 -1.26 -4.16 135.00 137.21 3dmj s PRO 59 Ca -0.09 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 3dmj s PRO 59 Cb -0.12 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3dmj s PRO 59 CO 0.02 -1.75 0.05 0.54 0.04 0.00 0.00 177.00 175.90 3dmj s VAL 60 N -2.25 0.18 0.24 -0.36 0.11 -1.26 -0.95 120.40 116.10 3dmj s VAL 60 Ca 0.70 -1.46 -0.12 0.00 -2.93 0.00 0.00 61.98 58.17 3dmj s VAL 60 Cb -0.25 -1.27 0.05 0.00 -1.53 0.00 0.00 36.38 33.38 3dmj s VAL 60 CO 0.47 -0.81 0.63 2.22 -3.33 0.00 0.00 175.10 174.28 3dmj n PHE 61 N 0.30 -1.73 -4.80 1.54 1.16 0.34 -4.85 117.46 109.41 3dmj n PHE 61 Ca -0.16 -1.22 -0.27 0.00 -1.87 0.00 0.00 57.45 53.93 3dmj n PHE 61 Cb 0.60 0.61 -0.15 0.00 -1.61 0.00 0.00 39.48 38.94 3dmj n PHE 61 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3dmj s ALA 62 N -1.78 1.85 0.00 1.98 0.00 -1.26 -0.89 121.76 121.66 3dmj s ALA 62 Ca 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3dmj s ALA 62 Cb -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3dmj s ALA 62 CO 0.07 0.43 0.00 0.44 0.00 0.00 0.00 175.76 176.70 3dmj n ILE 63 N 2.04 0.00 -4.49 0.00 -5.35 -0.54 -4.91 119.36 106.10 3dmj n ILE 63 Ca -0.17 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.07 3dmj n ILE 63 Cb 0.53 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.35 3dmj n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3dmj s LYS 64 N -1.40 1.90 0.00 6.28 -0.14 -1.26 -1.44 119.74 123.67 3dmj s LYS 64 Ca 0.00 -2.15 0.00 0.00 -1.36 0.00 0.00 55.97 52.46 3dmj s LYS 64 Cb 0.00 -0.54 0.00 0.00 -1.68 0.00 0.00 37.83 35.61 3dmj s LYS 64 CO 0.00 -0.48 0.00 2.41 -0.76 0.00 0.00 175.35 176.52 3dmj n THR 69 N -0.87 0.00 -4.73 2.17 -1.04 -1.26 -4.84 114.28 103.71 3dmj n THR 69 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 3dmj n THR 69 Cb 0.65 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.08 3dmj n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3dmj s LYS 70 N -4.21 2.15 0.11 -2.82 1.02 -1.26 -5.14 119.74 109.59 3dmj s LYS 70 Ca 0.00 -2.35 -0.14 0.00 0.02 0.00 0.00 55.97 53.49 3dmj s LYS 70 Cb 0.00 -1.47 -0.07 0.00 -0.52 0.00 0.00 37.83 35.77 3dmj s LYS 70 CO 0.00 -0.33 0.52 -1.58 -0.92 0.00 0.00 175.35 173.04 3dmj s TRP 71 N -2.89 3.64 0.10 3.18 0.52 -1.26 -5.00 118.94 117.24 3dmj s TRP 71 Ca 0.10 1.05 0.09 0.00 0.02 0.00 0.00 56.10 57.36 3dmj s TRP 71 Cb 0.03 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 3dmj s TRP 71 CO 0.05 0.48 -0.19 0.50 0.02 0.00 0.00 176.95 177.82 3dmj s ARG 72 N -1.75 1.79 0.10 4.98 3.52 -0.52 -4.96 118.95 122.11 3dmj s ARG 72 Ca 0.35 -1.16 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 3dmj s ARG 72 Cb -0.16 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.07 3dmj s ARG 72 CO 0.18 0.49 0.45 0.21 -0.81 0.00 0.00 175.30 175.82 3dmj s LYS 73 N -2.01 3.82 -0.05 5.12 2.20 -1.26 -1.47 119.74 126.09 3dmj s LYS 73 Ca 0.17 0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.02 3dmj s LYS 73 Cb -0.10 -2.97 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3dmj s LYS 73 CO 0.09 0.53 0.09 -1.17 -0.36 0.00 0.00 175.35 174.53 3dmj s LEU 74 N -1.97 0.15 -0.14 5.43 2.96 -0.07 -4.90 118.68 120.14 3dmj s LEU 74 Ca 0.35 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 3dmj s LEU 74 Cb -0.14 0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 3dmj s LEU 74 CO 0.19 -0.24 0.00 -0.69 -1.32 0.00 0.00 176.35 174.29 3dmj s VAL 75 N 2.11 4.25 -1.28 1.68 1.01 -1.26 -0.50 120.40 126.41 3dmj s VAL 75 Ca 0.03 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 3dmj s VAL 75 Cb -0.12 -2.86 0.12 0.00 0.00 0.00 0.00 36.38 33.52 3dmj s VAL 75 CO -0.04 0.52 1.68 -0.67 0.00 0.00 0.00 175.10 176.59 3dmj n ASP 76 N 3.11 4.97 0.00 3.32 4.64 -0.12 -4.82 116.55 127.65 3dmj n ASP 76 Ca -0.18 -2.96 0.11 0.00 -1.38 0.00 0.00 54.79 50.38 3dmj n ASP 76 Cb 0.53 -1.64 0.64 0.00 -1.04 0.00 0.00 41.12 39.61 3dmj n ASP 76 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3dmj n PHE 77 N 6.49 0.00 -0.29 -0.67 0.99 -1.26 -4.38 117.46 118.34 3dmj n PHE 77 Ca 0.43 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.97 3dmj n PHE 77 Cb 0.43 0.00 0.18 0.00 -1.00 0.00 0.00 39.48 39.09 3dmj n PHE 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3dmj n ARG 78 N -0.86 -0.07 -0.13 -1.08 1.74 -1.26 -0.06 116.66 114.93 3dmj n ARG 78 Ca 0.16 1.27 -0.12 0.00 -0.77 0.00 0.00 57.85 58.40 3dmj n ARG 78 Cb 0.07 -1.96 -0.02 0.00 -1.02 0.00 0.00 32.46 29.54 3dmj n ARG 78 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3dmj h GLU 79 N 0.00 0.83 -0.27 5.56 4.39 -2.00 -2.52 114.58 120.57 3dmj h GLU 79 Ca 0.45 -0.36 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 3dmj h GLU 79 Cb 0.83 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3dmj h GLU 79 CO -0.82 0.99 -0.33 1.25 -1.16 0.00 0.00 179.01 178.94 3dmj h LEU 80 N 0.64 0.60 -0.50 1.33 5.85 -0.99 -2.54 115.31 119.70 3dmj h LEU 80 Ca 0.09 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3dmj h LEU 80 Cb 0.73 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3dmj h LEU 80 CO 0.06 0.88 0.22 0.78 -0.34 0.00 0.00 178.44 180.04 3dmj h ASN 81 N 0.49 0.67 -0.90 1.25 2.35 -0.35 -0.16 115.58 118.94 3dmj h ASN 81 Ca 0.06 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3dmj h ASN 81 Cb 0.81 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.95 3dmj h ASN 81 CO 0.07 0.63 0.59 0.11 -1.65 0.00 0.00 177.43 177.18 3dmj h LYS 82 N 0.66 1.13 -0.00 0.81 1.57 -1.31 -2.13 116.57 117.29 3dmj h LYS 82 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3dmj h LYS 82 Cb 0.16 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3dmj h LYS 82 CO -0.02 0.75 -0.06 0.54 -0.57 0.00 0.00 179.45 180.09 3dmj n ARG 83 N -4.49 0.77 -3.10 3.15 1.74 -0.97 -4.85 116.66 108.91 3dmj n ARG 83 Ca 0.11 -0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 3dmj n ARG 83 Cb 0.05 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 3dmj n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dmj s THR 84 N -2.37 4.62 1.03 0.55 2.01 -0.11 -0.48 115.64 120.89 3dmj s THR 84 Ca 0.33 1.48 -0.18 0.00 0.31 0.00 0.00 61.69 63.62 3dmj s THR 84 Cb 0.20 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3dmj s THR 84 CO 0.44 0.49 -0.28 0.00 -0.69 0.00 0.00 174.62 174.58 3dmj n GLN 85 N 2.01 -0.67 -2.73 4.92 10.64 -0.48 -4.51 117.38 126.56 3dmj n GLN 85 Ca -0.07 -0.18 -0.24 0.00 -1.83 0.00 0.00 57.00 54.68 3dmj n GLN 85 Cb 0.50 -1.51 0.02 0.00 -0.86 0.00 0.00 30.24 28.39 3dmj n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3dmj s ASP 86 N -1.61 5.73 0.23 2.61 -0.00 -1.26 -4.93 116.67 117.45 3dmj s ASP 86 Ca 0.50 0.47 0.05 0.00 -0.00 0.00 0.00 52.55 53.57 3dmj s ASP 86 Cb -0.12 -1.60 -0.05 0.00 -0.00 0.00 0.00 42.92 41.15 3dmj s ASP 86 CO 0.69 -0.85 -0.05 -0.36 -0.00 0.00 0.00 175.17 174.60 3dmj s PHE 87 N -2.74 1.67 -0.37 4.23 0.08 -1.26 -5.11 117.98 114.48 3dmj s PHE 87 Ca 0.51 -0.78 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 3dmj s PHE 87 Cb -0.10 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 3dmj s PHE 87 CO 0.41 0.13 0.42 -1.58 -0.10 0.00 0.00 175.22 174.50 3dmj s TRP 88 N -3.22 3.19 -0.03 0.36 0.23 -1.26 -5.20 118.94 113.01 3dmj s TRP 88 Ca 0.26 -0.10 -0.20 0.00 -2.03 0.00 0.00 56.10 54.03 3dmj s TRP 88 Cb 0.04 -2.80 0.04 0.00 0.03 0.00 0.00 33.47 30.78 3dmj s TRP 88 CO 0.08 -0.55 0.44 -1.25 0.96 0.00 0.00 176.95 176.63 3dmj s PRO 95 N 2.14 0.80 -0.26 4.98 0.04 -1.26 -5.09 135.00 136.35 3dmj s PRO 95 Ca 0.13 -0.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.05 3dmj s PRO 95 Cb -0.16 0.36 -0.05 0.00 0.04 0.00 0.00 34.50 34.69 3dmj s PRO 95 CO 0.13 -0.23 0.16 -1.58 0.04 0.00 0.00 177.00 175.51 3dmj s HIS 96 N -1.25 3.21 -0.79 0.56 2.46 -1.26 -4.97 115.29 113.26 3dmj s HIS 96 Ca -0.12 0.03 -0.26 0.00 0.47 0.00 0.00 55.06 55.18 3dmj s HIS 96 Cb -0.03 -2.32 0.00 0.00 -0.13 0.00 0.00 32.58 30.10 3dmj s HIS 96 CO 0.06 -0.15 1.61 -2.14 -2.47 0.00 0.00 174.74 171.65 3dmj s PRO 97 N 1.57 2.98 0.00 2.88 0.02 -1.26 -4.79 135.00 136.40 3dmj s PRO 97 Ca 0.07 -0.17 0.03 0.00 0.02 0.00 0.00 61.00 60.95 3dmj s PRO 97 Cb -0.15 -4.64 0.16 0.00 0.02 0.00 0.00 34.50 29.89 3dmj s PRO 97 CO 0.08 -2.56 0.85 0.00 -0.33 0.00 0.00 177.00 175.04 3dmj n ALA 98 N 11.15 1.41 1.36 -1.55 0.00 -1.26 -0.74 120.51 130.88 3dmj n ALA 98 Ca 0.21 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.77 3dmj n ALA 98 Cb 0.50 -1.05 0.50 0.00 0.00 0.00 0.00 19.45 19.40 3dmj n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmj n GLY 99 N -0.98 -0.67 0.11 0.00 0.00 -1.26 -4.02 105.19 98.38 3dmj n GLY 99 Ca 0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 3dmj n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dmj h LEU 100 N 1.08 0.27 -2.02 0.99 5.85 -1.24 -3.06 115.31 117.18 3dmj h LEU 100 Ca 0.00 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3dmj h LEU 100 Cb 0.43 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3dmj h LEU 100 CO 0.00 0.63 0.00 0.07 -0.34 0.00 0.00 178.44 178.80 3dmj h LYS 101 N -0.08 0.00 0.02 1.25 2.10 -1.72 -2.99 116.57 115.14 3dmj h LYS 101 Ca 0.03 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.38 3dmj h LYS 101 Cb 0.53 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.81 3dmj h LYS 101 CO 0.02 0.00 -1.75 1.63 -2.00 0.00 0.00 179.45 177.35 3dmj n LYS 102 N -2.73 0.65 -1.58 0.07 5.02 -1.16 -3.09 118.16 115.33 3dmj n LYS 102 Ca -0.01 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 3dmj n LYS 102 Cb 0.11 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3dmj n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dmj n LYS 103 N -3.09 1.24 -0.02 1.97 4.76 -1.13 -4.27 118.16 117.61 3dmj n LYS 103 Ca -0.19 0.44 0.02 0.00 -2.87 0.00 0.00 58.31 55.71 3dmj n LYS 103 Cb 1.05 -1.92 0.34 0.00 -1.84 0.00 0.00 35.03 32.67 3dmj n LYS 103 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3dmj h LYS 104 N 1.53 0.57 -3.15 1.97 1.57 -1.79 -3.25 116.57 114.02 3dmj h LYS 104 Ca -0.43 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.13 3dmj h LYS 104 Cb 1.35 -0.11 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 3dmj h LYS 104 CO 0.57 0.48 -0.40 -1.12 -0.57 0.00 0.00 179.45 178.41 3dmj s SER 105 N -6.69 -0.21 0.00 0.86 0.01 -0.52 -4.26 113.70 102.89 3dmj s SER 105 Ca -0.08 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.53 3dmj s SER 105 Cb 0.16 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.83 3dmj s SER 105 CO 0.75 -0.20 -0.05 0.00 0.41 0.00 0.00 173.24 174.15 3dmj s ALA 106 N -0.38 0.43 -0.02 1.44 0.00 -0.39 -0.33 121.76 122.52 3dmj s ALA 106 Ca -0.05 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.70 3dmj s ALA 106 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3dmj s ALA 106 CO 0.01 0.08 -0.26 0.99 0.00 0.00 0.00 175.76 176.59 3dmj s THR 107 N -0.29 2.07 -0.08 0.00 2.01 0.18 -0.63 115.64 118.89 3dmj s THR 107 Ca 0.00 -1.10 -0.13 0.00 0.31 0.00 0.00 61.69 60.78 3dmj s THR 107 Cb -0.03 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 3dmj s THR 107 CO -0.00 0.58 0.31 -0.69 -0.69 0.00 0.00 174.62 174.13 3dmj s VAL 108 N -0.58 5.24 -0.05 3.82 1.01 -1.26 -0.61 120.40 127.98 3dmj s VAL 108 Ca 0.09 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3dmj s VAL 108 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3dmj s VAL 108 CO -0.01 0.52 -0.14 -0.76 0.00 0.00 0.00 175.10 174.71 3dmj s LEU 109 N -0.53 1.81 -0.72 3.92 1.43 0.91 -4.91 118.68 120.59 3dmj s LEU 109 Ca 0.19 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 3dmj s LEU 109 Cb -0.14 -0.87 0.08 0.00 0.03 0.00 0.00 46.19 45.29 3dmj s LEU 109 CO 0.08 0.10 1.02 -0.62 0.23 0.00 0.00 176.35 177.16 3dmj s ASP 110 N 0.28 6.26 -0.47 2.29 3.68 -1.26 -0.10 116.67 127.34 3dmj s ASP 110 Ca -0.08 -1.17 0.03 0.00 2.13 0.00 0.00 52.55 53.47 3dmj s ASP 110 Cb -0.13 -2.42 0.63 0.00 -1.45 0.00 0.00 42.92 39.55 3dmj s ASP 110 CO 0.03 -1.39 1.91 1.33 0.13 0.00 0.00 175.17 177.18 3dmj n VAL 111 N 5.90 3.24 -0.10 1.11 0.24 0.28 -4.61 118.33 124.38 3dmj n VAL 111 Ca 0.02 -2.12 -0.08 0.00 -2.04 0.00 0.00 64.34 60.12 3dmj n VAL 111 Cb 0.46 -0.57 0.08 0.00 -1.47 0.00 0.00 33.84 32.34 3dmj n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3dmj h GLY 112 N 1.15 0.89 1.76 7.63 0.00 -1.89 -2.80 103.07 109.81 3dmj h GLY 112 Ca 0.61 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3dmj h GLY 112 CO 1.14 0.68 0.11 -0.55 0.00 0.00 0.00 176.54 177.93 3dmj h ASP 113 N 0.72 0.00 -0.56 0.19 5.19 -1.94 -2.30 116.42 117.72 3dmj h ASP 113 Ca 0.10 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.61 3dmj h ASP 113 Cb 0.72 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.15 3dmj h ASP 113 CO 0.06 0.00 0.14 0.00 -3.12 0.00 0.00 179.24 176.32 3dmj h ALA 114 N 1.76 0.67 0.00 3.45 0.00 -1.86 -2.83 119.26 120.44 3dmj h ALA 114 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dmj h ALA 114 Cb 0.23 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dmj h ALA 114 CO 0.00 -0.28 -0.15 1.88 0.00 0.00 0.00 179.25 180.70 3dmj h TYR 115 N 0.29 0.00 0.00 0.00 0.05 -1.63 -3.22 116.97 112.46 3dmj h TYR 115 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 3dmj h TYR 115 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3dmj h TYR 115 CO -0.22 0.15 0.26 0.74 -1.05 0.00 0.00 178.16 178.04 3dmj h PHE 116 N 0.00 0.00 0.20 4.88 -1.00 -1.63 -0.99 116.94 118.40 3dmj h PHE 116 Ca -0.00 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.45 3dmj h PHE 116 Cb 0.31 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.89 3dmj h PHE 116 CO 0.00 0.00 -1.58 0.66 -1.61 0.00 0.00 178.31 175.78 3dmj h SER 117 N 0.00 0.65 -3.26 2.17 4.64 -1.76 -3.45 113.55 112.54 3dmj h SER 117 Ca 0.00 -0.93 -0.53 0.00 -0.47 0.00 0.00 61.79 59.87 3dmj h SER 117 Cb 0.51 -0.21 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3dmj h SER 117 CO 0.00 1.73 0.61 -0.69 -0.87 0.00 0.00 176.83 177.60 3dmj s VAL 118 N -2.56 3.64 0.54 0.95 1.01 -0.38 -4.98 120.40 118.61 3dmj s VAL 118 Ca -0.14 1.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.96 3dmj s VAL 118 Cb 0.05 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 3dmj s VAL 118 CO 0.87 0.14 0.95 -2.16 0.00 0.00 0.00 175.10 174.90 3dmj s PRO 119 N 0.54 3.75 -0.03 2.72 0.04 -1.26 -1.62 135.00 139.14 3dmj s PRO 119 Ca 0.58 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3dmj s PRO 119 Cb -0.33 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3dmj s PRO 119 CO 0.33 -0.34 0.02 -1.17 0.04 0.00 0.00 177.00 175.87 3dmj s LEU 120 N -4.53 3.61 0.02 -3.56 2.96 0.33 -4.54 118.68 112.97 3dmj s LEU 120 Ca 0.55 0.07 -0.38 0.00 -0.22 0.00 0.00 54.13 54.16 3dmj s LEU 120 Cb -0.10 -2.00 -0.17 0.00 0.50 0.00 0.00 46.19 44.42 3dmj s LEU 120 CO 0.41 0.31 1.38 -0.67 -1.32 0.00 0.00 176.35 176.47 3dmj n ASP 121 N 1.60 1.62 0.10 3.68 4.64 -1.26 -4.81 116.55 122.12 3dmj n ASP 121 Ca -0.16 1.12 0.02 0.00 -1.38 0.00 0.00 54.79 54.39 3dmj n ASP 121 Cb 0.53 -1.16 0.38 0.00 -1.04 0.00 0.00 41.12 39.84 3dmj n ASP 121 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 3dmj h GLU 122 N 4.85 0.28 0.00 -0.67 4.11 -1.96 -2.30 114.58 118.90 3dmj h GLU 122 Ca -0.48 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 58.86 3dmj h GLU 122 Cb 1.34 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3dmj h GLU 122 CO 0.80 0.39 -0.14 -0.44 0.07 0.00 0.00 179.01 179.69 3dmj h ASP 123 N 0.27 0.00 0.53 3.06 3.32 -1.96 -3.06 116.42 118.58 3dmj h ASP 123 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3dmj h ASP 123 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3dmj h ASP 123 CO 0.02 0.14 -1.50 0.33 -1.72 0.00 0.00 179.24 176.51 3dmj n PHE 124 N -3.39 0.54 -0.33 4.55 7.35 -0.90 -4.54 117.46 120.74 3dmj n PHE 124 Ca -0.01 0.16 0.13 0.00 -0.76 0.00 0.00 57.45 56.98 3dmj n PHE 124 Cb 0.33 -0.79 0.32 0.00 0.35 0.00 0.00 39.48 39.70 3dmj n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dmj h ARG 125 N 0.00 0.60 -0.90 -4.13 3.08 -1.35 -2.21 114.38 109.47 3dmj h ARG 125 Ca -0.04 -0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.23 3dmj h ARG 125 Cb 1.10 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3dmj h ARG 125 CO 0.01 0.40 0.64 1.57 -1.07 0.00 0.00 179.97 181.51 3dmj h LYS 126 N 0.62 0.06 0.00 0.04 2.10 -1.80 0.78 116.57 118.36 3dmj h LYS 126 Ca 0.58 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.20 3dmj h LYS 126 Cb 0.99 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3dmj h LYS 126 CO -0.44 0.04 -0.12 1.88 -2.00 0.00 0.00 179.45 178.81 3dmj h TYR 127 N 0.06 0.00 -0.06 0.07 0.05 -1.73 -2.72 116.97 112.63 3dmj h TYR 127 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.21 3dmj h TYR 127 Cb 1.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.37 3dmj h TYR 127 CO -0.00 0.12 0.00 0.25 -1.05 0.00 0.00 178.16 177.48 3dmj n THR 128 N -3.29 0.08 -1.68 -2.88 -2.24 0.27 -4.69 114.28 99.85 3dmj n THR 128 Ca 0.00 -0.10 -0.45 0.00 -2.27 0.00 0.00 64.05 61.23 3dmj n THR 128 Cb 0.36 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 3dmj n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dmj n ALA 129 N -0.41 1.36 -2.41 6.98 0.00 -1.03 -4.36 120.51 120.63 3dmj n ALA 129 Ca 0.10 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 3dmj n ALA 129 Cb 0.11 -2.55 -0.10 0.00 0.00 0.00 0.00 19.45 16.91 3dmj n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3dmj s PHE 130 N 3.59 1.85 -0.01 0.00 -0.12 -0.10 -1.00 117.98 122.19 3dmj s PHE 130 Ca 0.88 -1.00 0.03 0.00 -0.05 0.00 0.00 56.93 56.79 3dmj s PHE 130 Cb -0.58 -1.17 -0.01 0.00 -0.63 0.00 0.00 43.02 40.63 3dmj s PHE 130 CO 0.45 -0.06 -0.08 0.99 -0.05 0.00 0.00 175.22 176.47 3dmj s THR 131 N -3.39 0.66 -0.35 -4.49 2.01 -1.26 -2.05 115.64 106.77 3dmj s THR 131 Ca 0.36 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 3dmj s THR 131 Cb 0.08 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 3dmj s THR 131 CO 0.15 0.19 0.24 -0.63 -0.69 0.00 0.00 174.62 173.87 3dmj s ILE 132 N -0.15 5.13 1.06 1.82 1.01 -0.87 -4.65 121.20 124.55 3dmj s ILE 132 Ca 0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 3dmj s ILE 132 Cb -0.04 -3.68 0.23 0.00 0.01 0.00 0.00 42.46 38.97 3dmj s ILE 132 CO -0.00 -0.06 1.07 -2.16 0.00 0.00 0.00 174.94 173.78 3dmj s PRO 133 N 1.69 -0.10 -0.04 2.79 0.04 -1.26 -1.84 135.00 136.28 3dmj s PRO 133 Ca 0.05 0.73 0.04 0.00 0.04 0.00 0.00 61.00 61.86 3dmj s PRO 133 Cb -0.18 -1.66 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 3dmj s PRO 133 CO 0.10 -3.14 -0.14 -1.54 0.04 0.00 0.00 177.00 172.31 3dmj s SER 134 N -3.00 1.82 0.26 6.66 1.04 -1.26 -4.86 113.70 114.36 3dmj s SER 134 Ca 0.67 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.50 3dmj s SER 134 Cb -0.22 -0.51 -0.14 0.00 0.10 0.00 0.00 66.02 65.26 3dmj s SER 134 CO 0.61 0.12 1.20 -0.38 0.98 0.00 0.00 173.24 175.77 3dmj n ILE 135 N 3.22 1.49 -1.77 -1.02 2.08 -1.26 -2.08 119.36 120.01 3dmj n ILE 135 Ca -0.18 -0.37 -0.12 0.00 0.56 0.00 0.00 62.75 62.64 3dmj n ILE 135 Cb 0.53 -1.21 -0.03 0.00 -0.75 0.00 0.00 39.64 38.18 3dmj n ILE 135 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3dmj n ASN 136 N 1.55 -3.35 -3.13 4.38 5.15 -1.26 -2.38 115.26 116.22 3dmj n ASN 136 Ca 0.10 0.26 -0.21 0.00 -0.60 0.00 0.00 54.58 54.13 3dmj n ASN 136 Cb 0.31 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.52 3dmj n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3dmj n ASN 137 N -0.91 -4.21 0.17 1.20 3.02 -0.88 -4.84 115.26 108.81 3dmj n ASN 137 Ca -0.13 -0.26 0.04 0.00 -0.03 0.00 0.00 54.58 54.20 3dmj n ASN 137 Cb 0.47 -3.47 0.20 0.00 -0.61 0.00 0.00 39.78 36.37 3dmj n ASN 137 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3dmj h GLU 138 N -0.88 0.00 -4.20 3.52 5.08 -1.68 -3.46 114.58 112.97 3dmj h GLU 138 Ca -0.42 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 3dmj h GLU 138 Cb 1.29 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 3dmj h GLU 138 CO 0.51 0.44 -0.61 0.95 -1.00 0.00 0.00 179.01 179.29 3dmj s THR 139 N -3.31 0.18 0.86 1.13 -4.23 -1.26 -5.14 115.64 103.86 3dmj s THR 139 Ca 0.02 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3dmj s THR 139 Cb 0.09 -1.63 0.10 0.00 1.34 0.00 0.00 72.50 72.41 3dmj s THR 139 CO 0.71 -0.80 1.10 -2.16 -0.54 0.00 0.00 174.62 172.93 3dmj s PRO 140 N -3.94 1.60 1.13 3.99 0.04 -1.26 -4.59 135.00 131.97 3dmj s PRO 140 Ca 0.11 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 61.68 3dmj s PRO 140 Cb 0.07 -1.86 0.25 0.00 0.04 0.00 0.00 34.50 33.01 3dmj s PRO 140 CO -0.07 -1.97 1.08 0.20 0.04 0.00 0.00 177.00 176.27 3dmj s GLY 141 N -3.69 1.55 -0.36 0.56 0.00 -1.26 -4.75 107.32 99.38 3dmj s GLY 141 Ca 0.62 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.69 3dmj s GLY 141 CO 0.55 0.17 0.14 -0.42 0.00 0.00 0.00 173.10 173.54 3dmj s ILE 142 N -2.86 3.82 -0.05 0.90 1.01 -0.77 -4.90 121.20 118.35 3dmj s ILE 142 Ca 0.68 -1.23 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 3dmj s ILE 142 Cb -0.16 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3dmj s ILE 142 CO 0.58 -0.26 0.46 -0.13 0.00 0.00 0.00 174.94 175.59 3dmj s ARG 143 N 1.39 4.17 0.18 2.79 1.81 -1.26 -2.05 118.95 125.98 3dmj s ARG 143 Ca -0.00 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 3dmj s ARG 143 Cb -0.20 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 30.92 3dmj s ARG 143 CO 0.02 0.41 0.06 0.71 -0.68 0.00 0.00 175.30 175.83 3dmj s TYR 144 N -0.22 1.17 0.16 -0.53 2.02 -0.87 -1.65 117.35 117.43 3dmj s TYR 144 Ca 0.25 -1.18 -0.10 0.00 -0.37 0.00 0.00 57.07 55.67 3dmj s TYR 144 Cb -0.16 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 3dmj s TYR 144 CO 0.12 -0.41 0.30 1.14 -1.57 0.00 0.00 175.55 175.14 3dmj s GLN 145 N -4.02 1.17 0.24 -0.62 -2.07 -0.91 -0.93 119.66 112.52 3dmj s GLN 145 Ca 0.30 -1.14 -0.07 0.00 -1.82 0.00 0.00 55.36 52.62 3dmj s GLN 145 Cb 0.07 0.39 -0.06 0.00 -1.09 0.00 0.00 33.01 32.32 3dmj s GLN 145 CO 0.07 -0.43 0.53 0.71 -1.32 0.00 0.00 175.29 174.85 3dmj s TYR 146 N -3.96 3.45 -0.13 9.60 1.51 -1.26 -2.12 117.35 124.44 3dmj s TYR 146 Ca 0.16 0.76 0.06 0.00 -1.01 0.00 0.00 57.07 57.04 3dmj s TYR 146 Cb 0.03 -2.18 -0.12 0.00 -0.11 0.00 0.00 41.96 39.58 3dmj s TYR 146 CO -0.01 0.25 -0.03 0.09 -1.11 0.00 0.00 175.55 174.74 3dmj n ASN 147 N -0.42 2.45 -4.85 2.29 3.02 -0.42 -4.67 115.26 112.66 3dmj n ASN 147 Ca -0.01 -0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.29 3dmj n ASN 147 Cb 0.53 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 40.02 3dmj n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dmj s VAL 148 N -2.29 2.52 0.16 2.41 -7.23 -1.22 0.12 120.40 114.89 3dmj s VAL 148 Ca -0.12 -1.42 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 3dmj s VAL 148 Cb 0.04 -2.94 -0.11 0.00 0.56 0.00 0.00 36.38 33.93 3dmj s VAL 148 CO 0.42 0.00 1.80 0.18 -0.31 0.00 0.00 175.10 177.18 3dmj n LEU 149 N -1.50 4.07 -4.91 1.32 4.77 -0.64 -4.57 117.00 115.54 3dmj n LEU 149 Ca 0.02 1.02 -0.27 0.00 -0.03 0.00 0.00 56.01 56.76 3dmj n LEU 149 Cb 0.62 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 3dmj n LEU 149 CO 0.43 0.20 0.43 -2.16 -1.33 0.00 0.00 177.39 174.96 3dmj s PRO 150 N 2.05 3.38 0.21 3.23 0.04 -1.26 -4.00 135.00 138.66 3dmj s PRO 150 Ca 0.79 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 3dmj s PRO 150 Cb -0.48 -2.39 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 3dmj s PRO 150 CO 0.35 -0.28 0.77 -0.65 0.04 0.00 0.00 177.00 177.23 3dmj s GLN 151 N -4.75 4.41 0.00 4.56 -0.21 -1.26 -3.70 119.66 118.71 3dmj s GLN 151 Ca 0.48 1.04 0.00 0.00 0.02 0.00 0.00 55.36 56.90 3dmj s GLN 151 Cb -0.10 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.89 3dmj s GLN 151 CO 0.44 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.47 3dmj n GLY 152 N 1.04 1.30 3.76 3.09 0.00 -1.26 -4.70 105.19 108.41 3dmj n GLY 152 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3dmj n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dmj s TRP 153 N -2.86 3.60 0.19 1.61 -0.00 -1.24 -4.55 118.94 115.70 3dmj s TRP 153 Ca 0.00 0.98 -0.14 0.00 -0.00 0.00 0.00 56.10 56.94 3dmj s TRP 153 Cb 0.00 -2.50 0.20 0.00 -0.00 0.00 0.00 33.47 31.17 3dmj s TRP 153 CO 0.00 0.32 1.66 -0.22 -0.00 0.00 0.00 176.95 178.71 3dmj h LYS 154 N 5.99 0.05 0.00 5.86 3.64 -1.91 -2.15 116.57 128.05 3dmj h LYS 154 Ca -0.44 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 3dmj h LYS 154 Cb 1.19 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3dmj h LYS 154 CO 0.71 0.03 -0.08 0.78 -2.27 0.00 0.00 179.45 178.63 3dmj h GLY 155 N 0.05 0.00 0.85 5.01 0.00 -1.94 -3.26 103.07 103.79 3dmj h GLY 155 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3dmj h GLY 155 CO -0.50 0.00 -0.46 1.76 0.00 0.00 0.00 176.54 177.34 3dmj h SER 156 N 0.00 -1.14 -0.52 0.19 0.02 -1.65 0.14 113.55 110.59 3dmj h SER 156 Ca -0.00 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3dmj h SER 156 Cb 0.16 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3dmj h SER 156 CO 0.01 -0.71 0.34 1.55 -1.14 0.00 0.00 176.83 176.88 3dmj h PRO 157 N -1.15 0.50 1.00 3.45 0.13 -1.69 -2.12 132.00 132.13 3dmj h PRO 157 Ca -0.10 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 3dmj h PRO 157 Cb 0.91 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.94 3dmj h PRO 157 CO 0.12 0.33 -0.49 0.00 -0.23 0.00 0.00 178.00 177.73 3dmj h ALA 158 N 1.71 -1.36 0.13 -0.56 0.00 -1.47 -2.66 119.26 115.05 3dmj h ALA 158 Ca 0.22 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dmj h ALA 158 Cb 0.21 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3dmj h ALA 158 CO -0.06 -1.27 -0.23 0.82 0.00 0.00 0.00 179.25 178.52 3dmj h ILE 159 N -1.36 0.49 0.00 0.00 1.08 -0.55 -0.88 117.51 116.29 3dmj h ILE 159 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3dmj h ILE 159 Cb 1.04 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3dmj h ILE 159 CO 0.22 0.00 0.00 0.33 -0.69 0.00 0.00 178.15 178.01 3dmj n PHE 160 N -5.35 0.00 0.37 1.37 -0.00 -0.81 -4.01 117.46 109.02 3dmj n PHE 160 Ca -0.07 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.45 57.20 3dmj n PHE 160 Cb 0.26 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.48 39.61 3dmj n PHE 160 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 3dmj h GLN 161 N 0.55 -0.91 -1.00 -4.13 5.75 -0.78 -2.74 115.11 111.85 3dmj h GLN 161 Ca 0.00 0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.67 3dmj h GLN 161 Cb 0.26 0.21 -0.08 0.00 1.07 0.00 0.00 27.48 28.94 3dmj h GLN 161 CO 0.00 -0.58 0.63 0.66 -2.65 0.00 0.00 178.83 176.88 3dmj h SER 162 N -1.15 0.93 0.79 -0.69 4.64 -1.81 -1.48 113.55 114.78 3dmj h SER 162 Ca -0.10 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3dmj h SER 162 Cb 0.75 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3dmj h SER 162 CO 0.16 0.51 -0.11 0.28 -0.87 0.00 0.00 176.83 176.80 3dmj h SER 163 N 1.01 0.00 1.14 4.97 0.02 -1.84 -2.77 113.55 116.08 3dmj h SER 163 Ca 0.48 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.30 3dmj h SER 163 Cb 0.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3dmj h SER 163 CO -0.25 0.11 -0.91 -0.03 -1.14 0.00 0.00 176.83 174.61 3dmj h MET 164 N 0.00 0.00 -0.00 3.45 -1.53 -0.96 -3.18 114.93 112.72 3dmj h MET 164 Ca -0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3dmj h MET 164 Cb 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 3dmj h MET 164 CO 0.01 0.42 -0.00 1.15 0.14 0.00 0.00 176.91 178.63 3dmj h THR 165 N 0.00 1.50 -0.50 -0.77 2.02 -1.25 -2.70 112.91 111.21 3dmj h THR 165 Ca -0.07 -1.47 0.10 0.00 0.77 0.00 0.00 66.41 65.74 3dmj h THR 165 Cb 1.47 2.50 -0.10 0.00 -1.74 0.00 0.00 68.15 70.27 3dmj h THR 165 CO 0.06 0.38 -0.24 0.11 0.37 0.00 0.00 175.52 176.20 3dmj h LYS 166 N -0.62 -0.12 0.00 6.66 1.57 -1.59 1.23 116.57 123.70 3dmj h LYS 166 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dmj h LYS 166 Cb 0.63 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3dmj h LYS 166 CO 0.00 -0.08 0.00 -0.84 -0.57 0.00 0.00 179.45 177.96 3dmj h ILE 167 N -0.12 0.00 0.04 1.86 3.07 -1.63 -3.25 117.51 117.47 3dmj h ILE 167 Ca 0.23 -0.40 -0.37 0.00 1.55 0.00 0.00 64.86 65.87 3dmj h ILE 167 Cb 0.48 1.26 -0.05 0.00 -0.27 0.00 0.00 36.82 38.24 3dmj h ILE 167 CO -0.57 0.00 -2.28 0.18 -1.05 0.00 0.00 178.15 174.42 3dmj n LEU 168 N -2.44 2.40 -0.32 0.16 4.77 0.17 -4.55 117.00 117.20 3dmj n LEU 168 Ca 0.03 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 3dmj n LEU 168 Cb 0.32 -0.74 0.08 0.00 -2.33 0.00 0.00 43.42 40.75 3dmj n LEU 168 CO 0.25 0.83 0.54 -0.62 -1.33 0.00 0.00 177.39 177.06 3dmj n GLU 169 N -3.25 -0.14 0.34 3.23 -0.58 0.40 -0.90 120.64 119.74 3dmj n GLU 169 Ca -0.39 1.34 -0.18 0.00 -0.42 0.00 0.00 57.16 57.52 3dmj n GLU 169 Cb 1.03 -1.99 -0.09 0.00 -0.57 0.00 0.00 31.44 29.82 3dmj n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3dmj h PRO 170 N 0.00 -0.91 -0.27 3.49 0.11 -1.80 0.87 132.00 133.49 3dmj h PRO 170 Ca 0.36 0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.58 3dmj h PRO 170 Cb 0.57 0.21 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 3dmj h PRO 170 CO -0.87 -0.61 -0.03 0.35 -0.21 0.00 0.00 178.00 176.63 3dmj h PHE 171 N -0.94 -0.08 0.31 0.65 3.57 -1.46 0.33 116.94 119.32 3dmj h PHE 171 Ca -0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3dmj h PHE 171 Cb 0.77 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3dmj h PHE 171 CO -0.11 -0.08 -0.28 0.00 -2.23 0.00 0.00 178.31 175.61 3dmj h ARG 172 N 0.04 -0.56 -0.76 1.11 3.08 -0.95 0.72 114.38 117.06 3dmj h ARG 172 Ca 0.13 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.37 3dmj h ARG 172 Cb 0.19 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.22 3dmj h ARG 172 CO -0.25 -0.37 -0.20 0.87 -1.07 0.00 0.00 179.97 178.95 3dmj h LYS 173 N -0.58 -0.01 -0.67 0.04 1.57 -0.56 0.56 116.57 116.92 3dmj h LYS 173 Ca -0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3dmj h LYS 173 Cb 0.50 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 3dmj h LYS 173 CO -0.02 -0.01 0.33 1.96 -0.57 0.00 0.00 179.45 181.15 3dmj h GLN 174 N -0.01 0.57 -2.83 3.15 4.20 -0.04 -3.07 115.11 117.07 3dmj h GLN 174 Ca 0.36 -0.03 -0.66 0.00 0.06 0.00 0.00 58.65 58.38 3dmj h GLN 174 Cb 0.56 -0.13 -0.39 0.00 0.30 0.00 0.00 27.48 27.82 3dmj h GLN 174 CO -0.79 0.38 -0.30 0.09 -0.67 0.00 0.00 178.83 177.55 3dmj n ASN 175 N -4.86 3.98 0.00 1.46 4.13 0.18 -4.89 115.26 115.26 3dmj n ASN 175 Ca 0.10 -3.29 0.04 0.00 1.68 0.00 0.00 54.58 53.10 3dmj n ASN 175 Cb 0.24 -0.87 0.23 0.00 -1.54 0.00 0.00 39.78 37.84 3dmj n ASN 175 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3dmj n PRO 176 N 1.61 0.22 -0.06 3.52 -0.04 -0.26 -2.69 135.00 137.31 3dmj n PRO 176 Ca 0.24 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 3dmj n PRO 176 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3dmj n PRO 176 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3dmj h ASP 177 N 0.00 0.00 -3.17 3.54 3.58 -1.90 -3.47 116.42 115.00 3dmj h ASP 177 Ca 0.00 -0.17 -0.56 0.00 0.42 0.00 0.00 57.03 56.72 3dmj h ASP 177 Cb 0.01 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.16 3dmj h ASP 177 CO 0.00 0.68 0.72 -0.38 -2.88 0.00 0.00 179.24 177.38 3dmj n ILE 178 N -4.70 1.27 -4.30 2.25 5.41 -1.09 -4.96 119.36 113.23 3dmj n ILE 178 Ca -0.05 -0.32 -0.35 0.00 1.00 0.00 0.00 62.75 63.04 3dmj n ILE 178 Cb 0.16 -1.75 -0.10 0.00 -0.71 0.00 0.00 39.64 37.25 3dmj n ILE 178 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3dmj s VAL 179 N -0.33 4.37 -0.09 1.39 1.01 0.14 -4.96 120.40 121.93 3dmj s VAL 179 Ca 0.63 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3dmj s VAL 179 Cb -0.55 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 32.97 3dmj s VAL 179 CO 0.53 0.57 -0.09 -0.63 0.00 0.00 0.00 175.10 175.47 3dmj s ILE 180 N -0.50 1.03 0.01 2.22 1.01 -1.26 0.12 121.20 123.83 3dmj s ILE 180 Ca 0.09 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.47 3dmj s ILE 180 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 3dmj s ILE 180 CO 0.02 0.35 -0.26 0.00 0.00 0.00 0.00 174.94 175.06 3dmj s GLN 182 N -0.90 3.30 -0.11 0.00 0.74 -1.26 0.91 119.66 122.34 3dmj s GLN 182 Ca 0.10 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 3dmj s GLN 182 Cb -0.10 -2.58 0.03 0.00 1.10 0.00 0.00 33.01 31.46 3dmj s GLN 182 CO 0.00 0.16 -0.07 -0.47 -0.55 0.00 0.00 175.29 174.37 3dmj s TYR 183 N 0.46 1.40 0.00 1.67 6.14 -0.12 -5.01 117.35 121.89 3dmj s TYR 183 Ca -0.11 -0.69 0.00 0.00 0.64 0.00 0.00 57.07 56.91 3dmj s TYR 183 Cb -0.16 -1.19 0.00 0.00 0.42 0.00 0.00 41.96 41.03 3dmj s TYR 183 CO 0.05 -0.50 0.00 -1.33 0.64 0.00 0.00 175.55 174.41 3dmj n MET 184 N 4.96 0.00 0.11 4.97 2.81 -1.26 -0.04 117.12 128.67 3dmj n MET 184 Ca -0.12 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.89 3dmj n MET 184 Cb 0.50 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.06 3dmj n MET 184 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3dmj h ASP 185 N 0.00 0.00 -3.53 7.83 3.45 -1.93 -3.42 116.42 118.82 3dmj h ASP 185 Ca 0.00 -0.05 -0.51 0.00 0.43 0.00 0.00 57.03 56.90 3dmj h ASP 185 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3dmj h ASP 185 CO 0.00 0.02 -0.01 -1.81 -1.57 0.00 0.00 179.24 175.87 3dmj s ASP 186 N -5.21 6.60 -0.12 6.45 1.01 0.94 -0.55 116.67 125.78 3dmj s ASP 186 Ca 0.02 1.02 0.02 0.00 0.71 0.00 0.00 52.55 54.32 3dmj s ASP 186 Cb 0.10 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.77 3dmj s ASP 186 CO 0.76 -0.21 -0.18 -0.22 0.21 0.00 0.00 175.17 175.53 3dmj s LEU 187 N -3.27 1.89 -0.24 1.23 2.96 0.86 -0.95 118.68 121.16 3dmj s LEU 187 Ca 0.49 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 3dmj s LEU 187 Cb -0.11 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 3dmj s LEU 187 CO 0.25 0.04 0.09 -0.31 -1.32 0.00 0.00 176.35 175.09 3dmj s TYR 188 N 0.93 3.13 -0.35 5.38 1.51 0.26 -0.06 117.35 128.15 3dmj s TYR 188 Ca -0.06 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 55.65 3dmj s TYR 188 Cb -0.15 -2.23 0.04 0.00 -0.11 0.00 0.00 41.96 39.50 3dmj s TYR 188 CO -0.02 -0.25 0.13 0.08 -1.11 0.00 0.00 175.55 174.37 3dmj s VAL 189 N 1.44 3.96 -0.21 0.71 1.01 0.22 -0.47 120.40 127.07 3dmj s VAL 189 Ca 0.06 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 3dmj s VAL 189 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3dmj s VAL 189 CO 0.04 -0.19 0.05 -0.83 0.00 0.00 0.00 175.10 174.18 3dmj s GLY 190 N 1.44 1.82 0.31 4.51 0.00 0.33 -0.65 107.32 115.08 3dmj s GLY 190 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3dmj s GLY 190 CO 0.04 0.24 0.30 -1.35 0.00 0.00 0.00 173.10 172.32 3dmj s SER 191 N 0.89 1.26 0.00 1.64 1.04 0.55 0.24 113.70 119.32 3dmj s SER 191 Ca 0.03 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 54.83 3dmj s SER 191 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3dmj s SER 191 CO 0.02 -1.08 0.00 0.47 0.98 0.00 0.00 173.24 173.64 3dmj n ASP 192 N -1.31 1.13 -4.27 7.02 9.92 -1.26 -1.45 116.55 126.34 3dmj n ASP 192 Ca 0.05 -0.35 -0.33 0.00 -0.53 0.00 0.00 54.79 53.63 3dmj n ASP 192 Cb 0.63 0.93 0.15 0.00 -0.64 0.00 0.00 41.12 42.18 3dmj n ASP 192 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3dmj n LEU 193 N -1.04 -2.13 -4.84 0.64 4.77 -1.26 -4.82 117.00 108.32 3dmj n LEU 193 Ca 0.00 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.63 3dmj n LEU 193 Cb 0.00 -0.95 0.02 0.00 -2.33 0.00 0.00 43.42 40.15 3dmj n LEU 193 CO 0.00 -3.19 0.71 -1.83 -1.33 0.00 0.00 177.39 171.75 3dmj s GLU 194 N -3.32 3.41 0.00 3.23 4.04 -1.26 -4.67 118.70 120.12 3dmj s GLU 194 Ca 0.54 0.92 0.00 0.00 0.04 0.00 0.00 54.97 56.47 3dmj s GLU 194 Cb -0.11 -2.05 0.00 0.00 0.02 0.00 0.00 34.13 31.98 3dmj s GLU 194 CO 0.67 -0.72 0.26 0.44 -1.84 0.00 0.00 175.26 174.07 3dmj n ILE 195 N -2.56 0.00 -0.39 1.83 -5.35 -1.26 -0.59 119.36 111.03 3dmj n ILE 195 Ca 0.07 0.51 -0.10 0.00 -0.27 0.00 0.00 62.75 62.96 3dmj n ILE 195 Cb 0.54 -0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 37.58 3dmj n ILE 195 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dmj n GLY 196 N -0.76 -2.62 0.37 3.28 0.00 -1.26 0.43 105.19 104.63 3dmj n GLY 196 Ca 0.00 1.15 0.19 0.00 0.00 0.00 0.00 46.02 47.36 3dmj n GLY 196 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dmj h GLN 197 N 0.00 0.00 0.12 1.61 4.20 -1.72 0.21 115.11 119.53 3dmj h GLN 197 Ca 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3dmj h GLN 197 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3dmj h GLN 197 CO -0.88 0.00 -0.06 1.25 -0.67 0.00 0.00 178.83 178.48 3dmj h HIS 198 N 0.00 -0.14 -1.30 2.96 2.76 0.25 -2.21 115.15 117.46 3dmj h HIS 198 Ca 0.16 -0.00 0.38 0.00 -2.20 0.00 0.00 60.37 58.70 3dmj h HIS 198 Cb 0.83 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.77 3dmj h HIS 198 CO 0.00 -0.09 0.90 0.00 -1.30 0.00 0.00 177.93 177.44 3dmj h ARG 199 N -0.43 0.09 -0.09 5.26 3.08 -0.38 0.48 114.38 122.38 3dmj h ARG 199 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3dmj h ARG 199 Cb 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3dmj h ARG 199 CO 0.03 0.06 -0.01 1.15 -1.07 0.00 0.00 179.97 180.12 3dmj h THR 200 N 0.09 1.28 0.00 2.04 2.02 -0.62 -1.07 112.91 116.64 3dmj h THR 200 Ca 0.66 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3dmj h THR 200 Cb 2.38 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 70.47 3dmj h THR 200 CO -0.12 0.25 -0.13 0.11 0.37 0.00 0.00 175.52 175.99 3dmj h LYS 201 N -0.13 0.00 0.39 6.66 1.79 0.54 -0.54 116.57 125.27 3dmj h LYS 201 Ca 0.02 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 3dmj h LYS 201 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3dmj h LYS 201 CO 0.01 0.13 -0.19 0.82 -1.08 0.00 0.00 179.45 179.15 3dmj h ILE 202 N 0.00 0.36 -0.77 1.86 1.08 -0.88 -2.04 117.51 117.12 3dmj h ILE 202 Ca -0.00 -0.66 0.11 0.00 -0.39 0.00 0.00 64.86 63.92 3dmj h ILE 202 Cb 0.32 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 3dmj h ILE 202 CO 0.02 0.08 0.51 -0.08 -0.69 0.00 0.00 178.15 177.98 3dmj h GLU 203 N -1.01 0.60 -0.87 2.37 4.57 -0.98 0.53 114.58 119.81 3dmj h GLU 203 Ca -0.05 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3dmj h GLU 203 Cb 0.53 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 3dmj h GLU 203 CO 0.09 0.40 0.56 1.49 -1.18 0.00 0.00 179.01 180.37 3dmj h GLU 204 N 0.62 1.05 0.10 1.92 4.81 -1.00 0.98 114.58 123.06 3dmj h GLU 204 Ca 0.36 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3dmj h GLU 204 Cb 0.57 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3dmj h GLU 204 CO -0.14 0.70 -0.05 1.25 -0.73 0.00 0.00 179.01 180.04 3dmj h LEU 205 N 1.08 -0.11 -0.31 1.64 5.85 0.31 -2.65 115.31 121.13 3dmj h LEU 205 Ca 0.35 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3dmj h LEU 205 Cb 0.01 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3dmj h LEU 205 CO -0.12 0.40 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.09 3dmj h ARG 206 N -0.66 -0.02 -0.86 1.25 9.65 0.35 0.39 114.38 124.49 3dmj h ARG 206 Ca -0.01 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.98 3dmj h ARG 206 Cb 0.52 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.97 3dmj h ARG 206 CO 0.02 -0.01 -0.46 1.96 2.80 0.00 0.00 179.97 184.29 3dmj h GLN 207 N -0.02 -0.07 -0.97 0.20 1.08 -0.89 2.62 115.11 117.06 3dmj h GLN 207 Ca 0.05 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.48 3dmj h GLN 207 Cb 0.15 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 27.47 3dmj h GLN 207 CO -0.31 -0.05 0.54 1.25 -0.95 0.00 0.00 178.83 179.32 3dmj h HIS 208 N -0.07 0.92 0.00 2.96 2.76 -0.47 0.56 115.15 121.80 3dmj h HIS 208 Ca 0.24 0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.27 3dmj h HIS 208 Cb 0.54 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 3dmj h HIS 208 CO -0.86 0.06 -1.13 -0.07 -1.30 0.00 0.00 177.93 174.63 3dmj h LEU 209 N 0.56 0.00 -0.09 0.26 3.38 0.54 -3.30 115.31 116.66 3dmj h LEU 209 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3dmj h LEU 209 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dmj h LEU 209 CO -0.47 0.71 0.00 -0.11 0.09 0.00 0.00 178.44 178.65 3dmj n LEU 210 N -3.09 0.05 -1.58 1.67 7.94 0.78 -3.05 117.00 119.72 3dmj n LEU 210 Ca -0.06 -0.03 -0.11 0.00 -1.11 0.00 0.00 56.01 54.71 3dmj n LEU 210 Cb 0.87 -0.03 0.09 0.00 0.53 0.00 0.00 43.42 44.87 3dmj n LEU 210 CO 0.43 0.01 0.22 -2.11 -1.11 0.00 0.00 177.39 174.84 3dmj n ARG 211 N -0.44 2.65 0.12 1.96 1.85 -1.12 -5.00 116.66 116.68 3dmj n ARG 211 Ca 0.00 -3.74 0.00 0.00 -1.00 0.00 0.00 57.85 53.11 3dmj n ARG 211 Cb 0.01 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 3dmj n ARG 211 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3dmj n TRP 212 N -0.79 -2.46 -2.70 2.89 7.02 -1.17 -5.11 117.44 115.12 3dmj n TRP 212 Ca 0.31 0.56 -0.09 0.00 -1.02 0.00 0.00 57.50 57.27 3dmj n TRP 212 Cb 0.87 1.32 0.07 0.00 -2.42 0.00 0.00 31.31 31.15 3dmj n TRP 212 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3dmj n GLU 233 N -3.14 1.15 -3.74 -0.99 -0.58 -1.17 -5.00 120.64 107.17 3dmj n GLU 233 Ca 0.00 -2.63 -0.21 0.00 -0.42 0.00 0.00 57.16 53.90 3dmj n GLU 233 Cb 0.00 -0.76 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 3dmj n GLU 233 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dmj s LEU 234 N -3.10 4.19 -0.44 -4.62 1.43 0.19 -4.95 118.68 111.38 3dmj s LEU 234 Ca 0.25 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 3dmj s LEU 234 Cb 0.43 -2.95 0.18 0.00 0.03 0.00 0.00 46.19 43.87 3dmj s LEU 234 CO -0.02 -0.19 0.37 1.41 0.23 0.00 0.00 176.35 178.15 3dmj n HIS 235 N -1.54 -0.41 -0.25 0.29 8.25 -1.26 -1.26 115.22 119.03 3dmj n HIS 235 Ca -0.07 -3.43 0.02 0.00 -0.26 0.00 0.00 57.72 53.98 3dmj n HIS 235 Cb 0.57 0.13 0.10 0.00 1.12 0.00 0.00 29.99 31.91 3dmj n HIS 235 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3dmj h PRO 236 N 5.50 0.02 -0.78 -0.41 0.11 -1.74 -2.40 132.00 132.30 3dmj h PRO 236 Ca 0.24 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.37 3dmj h PRO 236 Cb 0.89 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 3dmj h PRO 236 CO 0.42 0.02 0.51 0.38 -0.21 0.00 0.00 178.00 179.11 3dmj h ASP 237 N 0.02 0.85 0.00 -2.05 2.03 -1.57 -2.35 116.42 113.36 3dmj h ASP 237 Ca 0.37 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 3dmj h ASP 237 Cb 0.59 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 3dmj h ASP 237 CO -0.73 0.60 0.02 2.29 -1.03 0.00 0.00 179.24 180.39 3dmj n LYS 238 N -4.58 0.12 -2.44 4.15 2.85 -0.91 -4.24 118.16 113.11 3dmj n LYS 238 Ca 0.08 0.62 -0.43 0.00 -1.05 0.00 0.00 58.31 57.53 3dmj n LYS 238 Cb 0.06 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 3dmj n LYS 238 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3dmj n TRP 239 N -2.15 4.48 -2.80 5.58 8.01 -0.88 -4.97 117.44 124.70 3dmj n TRP 239 Ca -0.01 -2.87 -0.39 0.00 -1.31 0.00 0.00 57.50 52.92 3dmj n TRP 239 Cb 0.05 -2.61 -0.06 0.00 -2.01 0.00 0.00 31.31 26.67 3dmj n TRP 239 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3dmj s THR 240 N 3.98 4.18 0.10 -0.99 -4.23 -1.26 -5.02 115.64 112.40 3dmj s THR 240 Ca 0.53 1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 62.65 3dmj s THR 240 Cb 0.06 -4.17 -0.06 0.00 1.34 0.00 0.00 72.50 69.67 3dmj s THR 240 CO 0.05 0.36 1.06 -0.69 -0.54 0.00 0.00 174.62 174.85 3dmj s VAL 241 N -1.36 4.28 -0.08 2.29 1.01 -1.26 -5.03 120.40 120.26 3dmj s VAL 241 Ca 0.44 1.80 -0.11 0.00 0.00 0.00 0.00 61.98 64.12 3dmj s VAL 241 Cb -0.23 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3dmj s VAL 241 CO 0.28 0.23 0.26 -1.10 0.00 0.00 0.00 175.10 174.77 3dmj s GLN 242 N 0.29 3.70 0.33 2.72 -1.52 -1.26 -5.09 119.66 118.83 3dmj s GLN 242 Ca 0.51 0.10 -0.06 0.00 -1.95 0.00 0.00 55.36 53.96 3dmj s GLN 242 Cb -0.26 -3.22 -0.05 0.00 -0.22 0.00 0.00 33.01 29.25 3dmj s GLN 242 CO 0.31 0.70 0.62 -1.25 -0.25 0.00 0.00 175.29 175.41 3dmj s PRO 243 N -0.92 3.66 0.47 2.91 0.04 -1.26 -4.79 135.00 135.10 3dmj s PRO 243 Ca 0.18 0.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.13 3dmj s PRO 243 Cb -0.14 -2.57 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 3dmj s PRO 243 CO 0.08 0.13 1.05 0.42 0.04 0.00 0.00 177.00 178.72 3dmj s ILE 244 N -2.19 3.71 -0.21 0.56 -1.09 -1.26 0.22 121.20 120.94 3dmj s ILE 244 Ca 0.46 1.13 -0.02 0.00 -2.23 0.00 0.00 60.65 59.98 3dmj s ILE 244 Cb -0.11 -3.49 0.06 0.00 -1.58 0.00 0.00 42.46 37.34 3dmj s ILE 244 CO 0.31 -0.17 0.03 -0.69 -1.23 0.00 0.00 174.94 173.20 3dmj s VAL 245 N -1.87 0.61 0.37 2.92 1.01 0.65 -4.76 120.40 119.32 3dmj s VAL 245 Ca 0.65 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 3dmj s VAL 245 Cb -0.19 -1.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 3dmj s VAL 245 CO 0.23 -0.24 1.38 -0.76 0.00 0.00 0.00 175.10 175.71 3dmj s LEU 246 N 1.81 4.32 0.64 3.92 1.43 -1.26 -4.79 118.68 124.76 3dmj s LEU 246 Ca -0.01 2.83 -0.17 0.00 -1.03 0.00 0.00 54.13 55.76 3dmj s LEU 246 Cb -0.17 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3dmj s LEU 246 CO -0.09 -0.77 0.88 -0.81 0.23 0.00 0.00 176.35 175.80 3dmj n PRO 247 N 0.47 0.70 -3.91 1.29 -0.04 -1.26 -4.98 135.00 127.27 3dmj n PRO 247 Ca 0.01 0.28 -0.34 0.00 -0.04 0.00 0.00 63.50 63.41 3dmj n PRO 247 Cb 0.41 -2.11 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 3dmj n PRO 247 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dmj s GLU 248 N -2.85 2.14 -0.01 0.54 0.41 -1.26 -5.10 118.70 112.57 3dmj s GLU 248 Ca 0.74 -1.52 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 3dmj s GLU 248 Cb -0.39 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 3dmj s GLU 248 CO 0.49 -0.79 0.10 0.15 -0.49 0.00 0.00 175.26 174.72 3dmj s LYS 249 N 1.15 3.13 -0.01 1.61 -0.14 -1.26 -5.00 119.74 119.21 3dmj s LYS 249 Ca 0.01 -0.45 -0.18 0.00 -1.36 0.00 0.00 55.97 53.98 3dmj s LYS 249 Cb -0.20 -2.90 -0.10 0.00 -1.68 0.00 0.00 37.83 32.94 3dmj s LYS 249 CO -0.04 0.66 0.82 0.22 -0.76 0.00 0.00 175.35 176.25 3dmj h ASP 250 N 4.10 -0.55 -3.69 2.83 -0.00 -2.05 -3.44 116.42 113.61 3dmj h ASP 250 Ca -0.49 0.02 -0.51 0.00 -0.00 0.00 0.00 57.03 56.04 3dmj h ASP 250 Cb 1.18 0.14 -0.32 0.00 -0.00 0.00 0.00 39.33 40.34 3dmj h ASP 250 CO 0.63 -0.20 -0.82 -0.94 -0.00 0.00 0.00 179.24 177.92 3dmj s SER 251 N -4.42 1.78 0.10 2.28 1.04 -1.26 -5.14 113.70 108.07 3dmj s SER 251 Ca -0.10 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 3dmj s SER 251 Cb 0.01 -0.62 -0.06 0.00 0.10 0.00 0.00 66.02 65.45 3dmj s SER 251 CO 0.29 0.09 0.46 0.26 0.98 0.00 0.00 173.24 175.31 3dmj s TRP 252 N 0.32 3.61 0.31 5.02 0.52 -1.26 -5.01 118.94 122.44 3dmj s TRP 252 Ca -0.08 0.91 0.08 0.00 0.02 0.00 0.00 56.10 57.03 3dmj s TRP 252 Cb -0.12 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 3dmj s TRP 252 CO 0.02 0.50 0.23 0.95 0.02 0.00 0.00 176.95 178.68 3dmj s THR 253 N -1.39 3.67 0.24 2.01 -4.23 -1.26 -1.15 115.64 113.53 3dmj s THR 253 Ca 0.34 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.33 3dmj s THR 253 Cb -0.15 -3.19 0.26 0.00 1.34 0.00 0.00 72.50 70.76 3dmj s THR 253 CO 0.18 -0.23 1.65 0.58 -0.54 0.00 0.00 174.62 176.26 3dmj h VAL 254 N 1.38 0.40 -0.36 2.29 2.07 -1.25 -0.79 116.25 119.98 3dmj h VAL 254 Ca -0.45 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3dmj h VAL 254 Cb 1.25 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3dmj h VAL 254 CO 0.60 0.03 0.22 -1.13 0.02 0.00 0.00 177.57 177.30 3dmj h ASN 255 N 0.14 0.44 -0.97 0.57 -0.00 -1.64 -0.95 115.58 113.17 3dmj h ASN 255 Ca 0.40 -0.06 0.13 0.00 -0.00 0.00 0.00 56.30 56.78 3dmj h ASN 255 Cb 0.70 -0.11 -0.08 0.00 -0.00 0.00 0.00 38.32 38.83 3dmj h ASN 255 CO -0.61 0.37 0.61 0.44 -0.00 0.00 0.00 177.43 178.24 3dmj h ASP 256 N 0.47 0.84 -0.17 1.15 3.45 -1.45 0.97 116.42 121.67 3dmj h ASP 256 Ca 0.13 0.05 -0.20 0.00 0.43 0.00 0.00 57.03 57.43 3dmj h ASP 256 Cb 0.01 -0.12 0.01 0.00 -0.56 0.00 0.00 39.33 38.67 3dmj h ASP 256 CO -0.02 0.43 -0.69 0.40 -1.57 0.00 0.00 179.24 177.78 3dmj h ILE 257 N 0.89 1.29 -0.53 0.35 2.04 -0.99 -0.35 117.51 120.20 3dmj h ILE 257 Ca 0.49 -1.90 0.01 0.00 1.00 0.00 0.00 64.86 64.46 3dmj h ILE 257 Cb 0.58 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 3dmj h ILE 257 CO -0.25 0.60 0.34 1.56 0.00 0.00 0.00 178.15 180.40 3dmj h GLN 258 N 0.50 0.66 -0.08 2.37 4.20 0.20 0.59 115.11 123.55 3dmj h GLN 258 Ca -0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3dmj h GLN 258 Cb 1.32 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 3dmj h GLN 258 CO 0.15 0.44 -0.07 0.87 -0.67 0.00 0.00 178.83 179.54 3dmj h LYS 259 N 0.68 0.18 -0.67 1.46 1.57 -0.88 -1.29 116.57 117.62 3dmj h LYS 259 Ca 0.20 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3dmj h LYS 259 Cb -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3dmj h LYS 259 CO -0.07 0.62 0.36 1.25 -0.57 0.00 0.00 179.45 181.05 3dmj h LEU 260 N -0.25 0.52 -0.59 2.94 5.85 -0.76 -1.94 115.31 121.10 3dmj h LEU 260 Ca 0.01 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3dmj h LEU 260 Cb 0.58 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3dmj h LEU 260 CO 0.02 0.33 0.11 0.58 -0.34 0.00 0.00 178.44 179.14 3dmj h VAL 261 N 0.66 1.26 -0.24 1.05 2.07 0.21 -1.80 116.25 119.45 3dmj h VAL 261 Ca 0.31 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3dmj h VAL 261 Cb 0.23 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3dmj h VAL 261 CO -0.20 0.36 0.12 1.23 0.02 0.00 0.00 177.57 179.09 3dmj h GLY 262 N 0.87 0.32 1.00 2.17 0.00 -0.64 0.88 103.07 107.67 3dmj h GLY 262 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3dmj h GLY 262 CO 0.01 0.07 0.13 0.50 0.00 0.00 0.00 176.54 177.24 3dmj h LYS 263 N 0.25 0.25 0.17 4.80 1.57 -1.25 -1.98 116.57 120.38 3dmj h LYS 263 Ca 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3dmj h LYS 263 Cb 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3dmj h LYS 263 CO -0.07 0.17 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.82 3dmj h LEU 264 N 0.26 -0.19 -0.41 2.94 3.38 -1.09 0.10 115.31 120.30 3dmj h LEU 264 Ca 0.07 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3dmj h LEU 264 Cb -0.03 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 3dmj h LEU 264 CO -0.01 -0.10 -0.52 -1.13 0.09 0.00 0.00 178.44 176.76 3dmj h ASN 265 N -0.26 -1.75 -0.15 -0.43 -1.24 -0.71 -0.34 115.58 110.70 3dmj h ASN 265 Ca -0.02 0.23 0.05 0.00 0.71 0.00 0.00 56.30 57.27 3dmj h ASN 265 Cb 0.20 0.72 -0.07 0.00 0.73 0.00 0.00 38.32 39.91 3dmj h ASN 265 CO 0.04 -0.37 -0.34 -0.25 -1.29 0.00 0.00 177.43 175.22 3dmj h TRP 266 N -0.35 -0.96 0.00 0.67 7.01 -1.22 -0.48 115.95 120.62 3dmj h TRP 266 Ca 0.07 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.11 3dmj h TRP 266 Cb 0.54 0.44 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 3dmj h TRP 266 CO -0.73 -0.42 0.09 0.00 -2.79 0.00 0.00 178.44 174.59 3dmj n ALA 267 N -2.87 0.84 0.41 2.65 0.00 0.34 -1.25 120.51 120.62 3dmj n ALA 267 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3dmj n ALA 267 Cb 0.34 -0.80 0.47 0.00 0.00 0.00 0.00 19.45 19.46 3dmj n ALA 267 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dmj n SER 268 N -1.36 0.60 0.26 0.00 7.64 -0.19 -1.67 113.62 118.90 3dmj n SER 268 Ca 0.00 0.65 0.16 0.00 1.01 0.00 0.00 58.87 60.68 3dmj n SER 268 Cb 0.09 -0.77 0.53 0.00 -1.01 0.00 0.00 64.21 63.05 3dmj n SER 268 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3dmj h GLN 269 N 0.00 0.00 0.00 1.43 4.20 -1.34 -3.21 115.11 116.19 3dmj h GLN 269 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 3dmj h GLN 269 Cb 0.35 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 3dmj h GLN 269 CO 0.00 0.00 -2.41 -0.89 -0.67 0.00 0.00 178.83 174.87 3dmj n ILE 270 N -3.10 1.39 -3.88 2.54 5.41 -0.67 -4.84 119.36 116.22 3dmj n ILE 270 Ca 0.02 -0.42 -0.33 0.00 1.00 0.00 0.00 62.75 63.01 3dmj n ILE 270 Cb 0.37 -1.65 -0.13 0.00 -0.71 0.00 0.00 39.64 37.52 3dmj n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3dmj s TYR 271 N -2.47 3.54 0.66 1.39 2.02 -0.80 -4.93 117.35 116.75 3dmj s TYR 271 Ca -0.34 -2.80 0.44 0.00 -0.37 0.00 0.00 57.07 54.00 3dmj s TYR 271 Cb 0.12 -3.05 2.41 0.00 -0.40 0.00 0.00 41.96 41.04 3dmj s TYR 271 CO 0.49 -0.90 2.37 -1.35 -1.57 0.00 0.00 175.55 174.59 3dmj h PRO 272 N 7.45 0.00 -0.00 -1.71 0.11 -1.85 -2.44 132.00 133.56 3dmj h PRO 272 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3dmj h PRO 272 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dmj h PRO 272 CO 0.64 0.00 -0.00 0.41 -0.21 0.00 0.00 178.00 178.84 3dmj n GLY 273 N -1.06 -1.19 3.71 -0.55 0.00 -1.26 -4.83 105.19 100.02 3dmj n GLY 273 Ca -0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3dmj n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmj s ILE 274 N -2.40 3.43 -0.02 -0.61 1.01 -0.92 -4.91 121.20 116.78 3dmj s ILE 274 Ca 0.34 1.02 0.07 0.00 0.00 0.00 0.00 60.65 62.07 3dmj s ILE 274 Cb 0.21 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3dmj s ILE 274 CO 0.44 0.07 -0.22 -0.54 0.00 0.00 0.00 174.94 174.69 3dmj s LYS 275 N 1.20 1.87 -0.06 2.79 -0.14 -1.26 -4.95 119.74 119.19 3dmj s LYS 275 Ca 0.64 -0.79 0.11 0.00 -1.36 0.00 0.00 55.97 54.57 3dmj s LYS 275 Cb -0.35 -1.76 0.20 0.00 -1.68 0.00 0.00 37.83 34.23 3dmj s LYS 275 CO 0.30 0.45 1.10 1.33 -0.76 0.00 0.00 175.35 177.77 3dmj n VAL 276 N 2.61 0.78 0.32 3.17 0.24 -1.26 -4.79 118.33 119.41 3dmj n VAL 276 Ca -0.16 -1.18 -0.15 0.00 -2.04 0.00 0.00 64.34 60.82 3dmj n VAL 276 Cb 0.52 0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 33.11 3dmj n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3dmj h ARG 277 N 0.28 -0.81 -0.44 7.34 2.43 -1.97 0.75 114.38 121.96 3dmj h ARG 277 Ca -0.04 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3dmj h ARG 277 Cb 1.33 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 3dmj h ARG 277 CO 0.02 -0.50 0.16 1.96 -1.51 0.00 0.00 179.97 180.09 3dmj h GLN 278 N -1.13 0.63 -0.15 0.20 1.08 -1.93 -1.81 115.11 112.00 3dmj h GLN 278 Ca -0.09 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 3dmj h GLN 278 Cb 0.69 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3dmj h GLN 278 CO 0.14 0.54 0.01 -0.07 -0.95 0.00 0.00 178.83 178.50 3dmj h LEU 279 N 0.63 0.26 -0.88 1.46 3.38 -1.90 -2.47 115.31 115.79 3dmj h LEU 279 Ca 0.15 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dmj h LEU 279 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dmj h LEU 279 CO -0.01 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3dmj h LYS 281 N 0.00 0.00 0.00 0.00 1.57 -0.88 -3.05 116.57 114.21 3dmj h LYS 281 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dmj h LYS 281 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dmj h LYS 281 CO 0.00 0.73 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.52 3dmj h LEU 282 N 0.00 0.00 -1.40 2.94 3.38 -1.00 -2.87 115.31 116.36 3dmj h LEU 282 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dmj h LEU 282 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3dmj h LEU 282 CO 0.10 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.84 3dmj n LEU 283 N -3.12 2.00 -4.84 1.67 4.32 -1.09 -4.89 117.00 111.06 3dmj n LEU 283 Ca 0.01 -1.01 -0.32 0.00 -0.02 0.00 0.00 56.01 54.67 3dmj n LEU 283 Cb 0.38 -0.34 -0.06 0.00 -1.62 0.00 0.00 43.42 41.78 3dmj n LEU 283 CO 0.30 0.38 0.59 -0.13 -1.22 0.00 0.00 177.39 177.31 3dmj s ARG 284 N -1.64 4.09 0.00 3.23 0.52 -1.09 -4.90 118.95 119.16 3dmj s ARG 284 Ca 0.19 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.34 3dmj s ARG 284 Cb 0.12 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.35 3dmj s ARG 284 CO 0.10 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.78 3dmj n GLY 285 N -0.84 -1.55 2.56 -3.53 0.00 -1.26 -4.78 105.19 95.79 3dmj n GLY 285 Ca 0.06 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 3dmj n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dmj n THR 286 N 0.00 1.29 -1.46 2.61 -2.24 -1.26 -5.11 114.28 108.10 3dmj n THR 286 Ca 0.00 -3.92 -0.32 0.00 -2.27 0.00 0.00 64.05 57.54 3dmj n THR 286 Cb 0.00 -0.09 0.07 0.00 -2.10 0.00 0.00 70.33 68.21 3dmj n THR 286 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dmj s LYS 287 N -3.14 2.55 0.32 -0.78 1.02 -1.26 -4.97 119.74 113.48 3dmj s LYS 287 Ca 0.36 1.18 -0.29 0.00 0.02 0.00 0.00 55.97 57.23 3dmj s LYS 287 Cb 0.42 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.69 3dmj s LYS 287 CO -0.05 -1.42 1.41 0.00 -0.92 0.00 0.00 175.35 174.37 3dmj s ALA 288 N -2.79 3.57 0.57 5.17 0.00 -1.26 -4.83 121.76 122.19 3dmj s ALA 288 Ca 0.62 1.38 0.29 0.00 0.00 0.00 0.00 51.96 54.25 3dmj s ALA 288 Cb -0.17 -3.54 1.46 0.00 0.00 0.00 0.00 23.12 20.86 3dmj s ALA 288 CO 0.52 -0.79 1.88 1.25 0.00 0.00 0.00 175.76 178.61 3dmj h LEU 289 N 3.82 0.00 -0.11 0.00 5.85 -1.97 0.18 115.31 123.08 3dmj h LEU 289 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3dmj h LEU 289 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3dmj h LEU 289 CO 0.69 0.00 -0.65 0.35 -0.34 0.00 0.00 178.44 178.49 3dmj n THR 290 N -3.90 0.00 -1.99 1.05 -2.24 -1.26 -1.77 114.28 104.17 3dmj n THR 290 Ca 0.12 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 3dmj n THR 290 Cb 0.79 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 3dmj n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dmj s GLU 291 N -2.92 4.26 0.24 -0.78 2.12 0.62 -4.73 118.70 117.50 3dmj s GLU 291 Ca 0.12 2.34 -0.30 0.00 0.36 0.00 0.00 54.97 57.49 3dmj s GLU 291 Cb 0.17 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.40 3dmj s GLU 291 CO 0.73 -0.40 1.04 0.08 -0.54 0.00 0.00 175.26 176.17 3dmj s VAL 292 N -0.38 3.80 -0.13 3.70 1.01 -1.26 -1.27 120.40 125.85 3dmj s VAL 292 Ca 0.57 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.31 3dmj s VAL 292 Cb -0.42 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 31.86 3dmj s VAL 292 CO 0.48 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 175.18 3dmj s ILE 293 N -0.96 1.67 0.20 2.22 -1.09 -0.30 -4.89 121.20 118.04 3dmj s ILE 293 Ca 0.44 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 3dmj s ILE 293 Cb -0.29 -1.52 -0.08 0.00 -1.58 0.00 0.00 42.46 38.99 3dmj s ILE 293 CO 0.36 0.47 1.05 -2.16 -1.23 0.00 0.00 174.94 173.44 3dmj s PRO 294 N 1.17 4.66 -0.10 2.79 0.04 -1.26 -4.38 135.00 137.92 3dmj s PRO 294 Ca -0.01 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 3dmj s PRO 294 Cb -0.14 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3dmj s PRO 294 CO -0.06 0.20 0.76 -0.51 0.04 0.00 0.00 177.00 177.42 3dmj s LEU 295 N -0.65 4.26 0.98 -3.56 1.43 -1.26 -5.06 118.68 114.83 3dmj s LEU 295 Ca 0.47 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 3dmj s LEU 295 Cb -0.28 -3.15 0.18 0.00 0.03 0.00 0.00 46.19 42.96 3dmj s LEU 295 CO 0.35 -0.23 1.09 0.42 0.23 0.00 0.00 176.35 178.21 3dmj s THR 296 N 1.33 2.24 0.25 5.49 -4.23 -1.26 -4.80 115.64 114.65 3dmj s THR 296 Ca 0.38 0.08 0.24 0.00 -1.18 0.00 0.00 61.69 61.21 3dmj s THR 296 Cb -0.17 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.37 3dmj s THR 296 CO 0.16 -0.10 1.90 -0.33 -0.54 0.00 0.00 174.62 175.72 3dmj h GLU 297 N -1.85 0.00 0.07 3.99 4.39 -1.99 -1.66 114.58 117.54 3dmj h GLU 297 Ca -0.53 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 3dmj h GLU 297 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3dmj h GLU 297 CO 0.56 0.21 -0.04 0.93 -1.16 0.00 0.00 179.01 179.51 3dmj h GLU 298 N 0.00 -0.10 -0.75 2.33 3.07 -1.98 -1.49 114.58 115.66 3dmj h GLU 298 Ca -0.00 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.00 3dmj h GLU 298 Cb 0.61 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.45 3dmj h GLU 298 CO 0.03 0.40 0.32 0.00 -1.40 0.00 0.00 179.01 178.36 3dmj h ALA 299 N 0.17 1.07 0.06 3.43 0.00 -1.82 0.62 119.26 122.80 3dmj h ALA 299 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3dmj h ALA 299 Cb 0.54 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3dmj h ALA 299 CO 0.02 -0.18 -0.41 1.49 0.00 0.00 0.00 179.25 180.17 3dmj h GLU 300 N 0.48 -0.59 -0.11 0.00 4.57 -1.17 -0.62 114.58 117.14 3dmj h GLU 300 Ca 0.41 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.63 3dmj h GLU 300 Cb 0.59 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 3dmj h GLU 300 CO -0.38 -0.39 0.07 1.25 -1.18 0.00 0.00 179.01 178.37 3dmj h LEU 301 N -0.61 0.13 -0.47 1.64 5.85 0.02 -1.12 115.31 120.75 3dmj h LEU 301 Ca 0.03 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3dmj h LEU 301 Cb 0.66 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 3dmj h LEU 301 CO -0.27 0.13 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.73 3dmj h GLU 302 N 0.12 -0.03 -0.78 1.25 4.81 0.35 0.87 114.58 121.16 3dmj h GLU 302 Ca 0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3dmj h GLU 302 Cb 0.02 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3dmj h GLU 302 CO -0.01 -0.02 0.37 1.25 -0.73 0.00 0.00 179.01 179.87 3dmj h LEU 303 N -0.03 1.03 -0.58 1.64 5.85 -0.96 -0.36 115.31 121.90 3dmj h LEU 303 Ca 0.23 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3dmj h LEU 303 Cb 0.38 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3dmj h LEU 303 CO -0.50 0.88 0.20 0.00 -0.34 0.00 0.00 178.44 178.68 3dmj h ALA 304 N 1.19 0.76 -0.58 1.25 0.00 0.43 0.16 119.26 122.47 3dmj h ALA 304 Ca 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3dmj h ALA 304 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3dmj h ALA 304 CO -0.03 0.41 0.00 0.93 0.00 0.00 0.00 179.25 180.55 3dmj h GLU 305 N 0.81 1.03 -0.88 0.00 5.08 0.90 -2.25 114.58 119.27 3dmj h GLU 305 Ca 0.19 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3dmj h GLU 305 Cb 0.25 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3dmj h GLU 305 CO -0.01 1.02 0.58 -0.91 -1.00 0.00 0.00 179.01 178.68 3dmj h ASN 306 N 0.92 1.02 -0.66 1.42 2.35 -0.59 -0.77 115.58 119.26 3dmj h ASN 306 Ca 0.16 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3dmj h ASN 306 Cb 0.55 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3dmj h ASN 306 CO 0.03 0.74 0.13 0.03 -1.65 0.00 0.00 177.43 176.72 3dmj h ARG 307 N 1.19 1.08 0.03 0.81 3.08 -0.48 -2.41 114.38 117.68 3dmj h ARG 307 Ca 0.32 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3dmj h ARG 307 Cb -0.13 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.79 3dmj h ARG 307 CO -0.07 0.98 -0.01 0.93 -1.07 0.00 0.00 179.97 180.73 3dmj h GLU 308 N 1.00 -0.04 -0.54 0.04 4.39 -0.86 -2.51 114.58 116.07 3dmj h GLU 308 Ca 0.20 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.06 3dmj h GLU 308 Cb 0.40 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3dmj h GLU 308 CO 0.01 0.07 0.39 0.82 -1.16 0.00 0.00 179.01 179.14 3dmj h ILE 309 N -0.14 0.74 -0.00 3.13 2.04 -0.99 0.86 117.51 123.15 3dmj h ILE 309 Ca -0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dmj h ILE 309 Cb 0.13 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3dmj h ILE 309 CO 0.01 0.00 -0.27 0.18 0.00 0.00 0.00 178.15 178.07 3dmj n LEU 310 N -4.38 0.29 0.31 1.44 4.77 -0.92 -4.07 117.00 114.44 3dmj n LEU 310 Ca 0.10 0.21 0.21 0.00 -0.03 0.00 0.00 56.01 56.51 3dmj n LEU 310 Cb 0.61 -0.35 1.14 0.00 -2.33 0.00 0.00 43.42 42.48 3dmj n LEU 310 CO 0.37 0.07 1.14 0.11 -1.33 0.00 0.00 177.39 177.75 3dmj h LYS 311 N 0.03 0.00 -3.43 3.23 1.57 -0.41 -3.38 116.57 114.18 3dmj h LYS 311 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3dmj h LYS 311 Cb 0.50 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.61 3dmj h LYS 311 CO 0.00 0.00 -0.41 -1.21 -0.57 0.00 0.00 179.45 177.26 3dmj s GLU 312 N -4.06 0.59 0.76 3.15 2.02 -1.26 -4.93 118.70 114.97 3dmj s GLU 312 Ca -0.05 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 54.36 3dmj s GLU 312 Cb 0.12 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.63 3dmj s GLU 312 CO 0.38 -0.16 0.98 -0.35 0.02 0.00 0.00 175.26 176.14 3dmj n PRO 313 N 1.16 0.35 -1.98 0.39 -0.04 -1.26 -4.90 135.00 128.71 3dmj n PRO 313 Ca -0.21 0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 3dmj n PRO 313 Cb 0.57 -2.25 -0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3dmj n PRO 313 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dmj s VAL 314 N -1.95 2.46 0.72 0.52 0.11 -1.26 -4.98 120.40 116.02 3dmj s VAL 314 Ca 0.72 0.42 -0.13 0.00 -2.93 0.00 0.00 61.98 60.06 3dmj s VAL 314 Cb -0.32 -3.25 0.03 0.00 -1.53 0.00 0.00 36.38 31.31 3dmj s VAL 314 CO 0.52 0.07 1.10 -1.00 -3.33 0.00 0.00 175.10 172.46 3dmj s HIS 315 N -1.23 2.57 0.00 1.54 3.76 -1.26 -4.21 115.29 116.46 3dmj s HIS 315 Ca 0.57 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 57.04 3dmj s HIS 315 Cb -0.40 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.17 3dmj s HIS 315 CO 0.52 -1.78 0.00 0.41 -0.85 0.00 0.00 174.74 173.04 3dmj n GLY 316 N -0.80 0.47 3.65 -2.22 0.00 -1.26 -5.04 105.19 99.99 3dmj n GLY 316 Ca 0.10 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3dmj n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmj s VAL 317 N -2.00 5.29 0.05 1.61 1.01 -1.26 -5.06 120.40 120.04 3dmj s VAL 317 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3dmj s VAL 317 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3dmj s VAL 317 CO 0.00 0.28 -0.08 -0.31 0.00 0.00 0.00 175.10 175.00 3dmj s TYR 318 N 1.36 0.71 0.35 5.22 2.02 -1.26 -5.04 117.35 120.71 3dmj s TYR 318 Ca 0.11 -0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 55.98 3dmj s TYR 318 Cb -0.14 -0.42 -0.09 0.00 -0.40 0.00 0.00 41.96 40.90 3dmj s TYR 318 CO 0.07 -0.10 1.03 -0.47 -1.57 0.00 0.00 175.55 174.51 3dmj s TYR 319 N -1.80 3.47 -0.20 2.71 6.14 -1.26 -5.05 117.35 121.36 3dmj s TYR 319 Ca -0.06 1.70 -0.00 0.00 0.64 0.00 0.00 57.07 59.35 3dmj s TYR 319 Cb -0.07 -3.10 0.05 0.00 0.42 0.00 0.00 41.96 39.26 3dmj s TYR 319 CO -0.01 -0.35 -0.04 0.34 0.64 0.00 0.00 175.55 176.13 3dmj s ASP 320 N -1.42 3.29 0.29 4.32 -1.08 -1.26 -5.03 116.67 115.79 3dmj s ASP 320 Ca 0.52 -0.92 -0.02 0.00 -0.52 0.00 0.00 52.55 51.62 3dmj s ASP 320 Cb -0.23 -0.97 0.44 0.00 -1.46 0.00 0.00 42.92 40.70 3dmj s ASP 320 CO 0.29 -0.23 1.95 -0.65 0.52 0.00 0.00 175.17 177.06 3dmj h PRO 321 N 8.07 1.09 0.00 4.34 0.11 -2.00 -2.09 132.00 141.53 3dmj h PRO 321 Ca -0.20 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3dmj h PRO 321 Cb 1.10 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3dmj h PRO 321 CO 0.40 0.72 0.00 -1.13 -0.21 0.00 0.00 178.00 177.78 3dmj n SER 322 N -4.42 0.09 -4.50 -2.05 3.41 -1.26 -4.69 113.62 100.19 3dmj n SER 322 Ca 0.10 0.54 -0.27 0.00 -0.26 0.00 0.00 58.87 58.98 3dmj n SER 322 Cb 0.06 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 3dmj n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dmj s LYS 323 N -3.08 1.81 0.46 4.33 1.02 -0.79 -5.12 119.74 118.38 3dmj s LYS 323 Ca 0.01 -1.38 -0.22 0.00 0.02 0.00 0.00 55.97 54.40 3dmj s LYS 323 Cb 0.02 -2.02 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 3dmj s LYS 323 CO 0.07 0.42 1.11 -0.51 -0.92 0.00 0.00 175.35 175.52 3dmj s ASP 324 N -2.74 6.24 0.01 2.83 1.01 -1.26 -4.88 116.67 117.88 3dmj s ASP 324 Ca 0.23 2.17 -0.19 0.00 0.71 0.00 0.00 52.55 55.47 3dmj s ASP 324 Cb -0.08 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 3dmj s ASP 324 CO 0.13 -0.86 0.54 -0.22 0.21 0.00 0.00 175.17 174.97 3dmj s LEU 325 N -3.15 4.45 -0.07 1.23 2.96 -1.26 -4.49 118.68 118.35 3dmj s LEU 325 Ca 0.64 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.72 3dmj s LEU 325 Cb -0.25 -2.83 -0.00 0.00 0.50 0.00 0.00 46.19 43.61 3dmj s LEU 325 CO 0.30 0.19 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.67 3dmj s ILE 326 N -0.57 1.78 -0.17 6.68 1.01 0.24 -1.30 121.20 128.87 3dmj s ILE 326 Ca 0.28 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3dmj s ILE 326 Cb -0.18 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.78 3dmj s ILE 326 CO 0.16 0.50 -0.18 0.00 0.00 0.00 0.00 174.94 175.42 3dmj s ALA 327 N 0.16 2.20 -0.12 9.38 0.00 0.22 -0.27 121.76 133.33 3dmj s ALA 327 Ca -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3dmj s ALA 327 Cb -0.15 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3dmj s ALA 327 CO 0.05 -0.35 -0.13 -2.00 0.00 0.00 0.00 175.76 173.32 3dmj s GLU 328 N 1.34 3.33 -0.06 0.00 2.12 -0.18 -0.36 118.70 124.90 3dmj s GLU 328 Ca 0.05 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 54.74 3dmj s GLU 328 Cb -0.13 -2.62 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 3dmj s GLU 328 CO -0.12 0.24 -0.22 0.42 -0.54 0.00 0.00 175.26 175.04 3dmj s ILE 329 N 0.28 2.35 -0.05 -3.70 1.01 -0.94 -1.58 121.20 118.58 3dmj s ILE 329 Ca -0.10 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.65 3dmj s ILE 329 Cb -0.16 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3dmj s ILE 329 CO 0.05 0.57 -0.24 -1.10 0.00 0.00 0.00 174.94 174.22 3dmj s GLN 330 N -0.25 2.38 -0.29 2.79 1.11 0.49 -4.04 119.66 121.84 3dmj s GLN 330 Ca -0.00 -0.87 -0.24 0.00 0.01 0.00 0.00 55.36 54.26 3dmj s GLN 330 Cb -0.13 -2.06 -0.00 0.00 -1.01 0.00 0.00 33.01 29.81 3dmj s GLN 330 CO 0.03 0.39 0.82 0.21 0.01 0.00 0.00 175.29 176.75 3dmj s LYS 331 N -0.20 4.03 0.09 2.91 2.20 -1.26 -1.77 119.74 125.74 3dmj s LYS 331 Ca -0.02 0.72 0.23 0.00 -0.36 0.00 0.00 55.97 56.54 3dmj s LYS 331 Cb -0.13 -3.70 0.08 0.00 -1.51 0.00 0.00 37.83 32.57 3dmj s LYS 331 CO 0.03 -0.65 1.06 1.04 -0.36 0.00 0.00 175.35 176.47 3dmj n GLN 332 N 6.19 0.37 0.00 4.03 1.13 0.55 -4.98 117.38 124.67 3dmj n GLN 332 Ca 0.05 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3dmj n GLN 332 Cb 0.48 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.18 3dmj n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dmj n GLY 333 N 1.32 0.20 2.36 1.08 0.00 -1.04 -4.84 105.19 104.26 3dmj n GLY 333 Ca 0.01 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 3dmj n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dmj n GLN 334 N 0.40 -1.88 -0.94 1.61 1.13 -1.26 0.11 117.38 116.56 3dmj n GLN 334 Ca 0.00 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 3dmj n GLN 334 Cb 0.00 -5.30 0.00 0.00 0.11 0.00 0.00 30.24 25.05 3dmj n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dmj n GLY 335 N -0.72 0.66 3.83 1.08 0.00 -1.26 -4.91 105.19 103.87 3dmj n GLY 335 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3dmj n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dmj s GLN 336 N -0.06 3.76 -0.01 1.61 -1.52 0.12 -1.12 119.66 122.44 3dmj s GLN 336 Ca 0.00 -0.02 0.02 0.00 -1.95 0.00 0.00 55.36 53.41 3dmj s GLN 336 Cb 0.00 -3.27 -0.01 0.00 -0.22 0.00 0.00 33.01 29.52 3dmj s GLN 336 CO 0.00 0.61 -0.08 -1.58 -0.25 0.00 0.00 175.29 173.99 3dmj s TRP 337 N -0.60 0.72 -0.01 0.91 0.52 0.66 -0.33 118.94 120.82 3dmj s TRP 337 Ca 0.16 -0.14 0.06 0.00 0.02 0.00 0.00 56.10 56.20 3dmj s TRP 337 Cb -0.13 -0.47 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 3dmj s TRP 337 CO 0.05 -0.02 -0.19 0.95 0.02 0.00 0.00 176.95 177.76 3dmj s THR 338 N -0.15 2.70 0.14 2.01 -4.23 -0.73 0.29 115.64 115.67 3dmj s THR 338 Ca 0.03 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 3dmj s THR 338 Cb -0.03 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3dmj s THR 338 CO -0.00 0.50 0.01 -0.72 -0.54 0.00 0.00 174.62 173.86 3dmj s TYR 339 N -0.77 0.98 -0.09 3.99 1.13 -0.46 -0.38 117.35 121.75 3dmj s TYR 339 Ca 0.12 -1.09 -0.06 0.00 -1.41 0.00 0.00 57.07 54.63 3dmj s TYR 339 Cb -0.10 -0.57 0.04 0.00 -1.10 0.00 0.00 41.96 40.23 3dmj s TYR 339 CO 0.02 -0.33 0.22 -0.65 -2.51 0.00 0.00 175.55 172.30 3dmj s GLN 340 N -3.95 0.21 -0.13 -3.49 1.11 -0.61 -0.18 119.66 112.62 3dmj s GLN 340 Ca 0.21 0.42 -0.02 0.00 0.01 0.00 0.00 55.36 55.98 3dmj s GLN 340 Cb 0.07 -0.03 -0.03 0.00 -1.01 0.00 0.00 33.01 32.01 3dmj s GLN 340 CO 0.01 -0.11 -0.06 0.42 0.01 0.00 0.00 175.29 175.55 3dmj s ILE 341 N 0.81 3.70 0.16 1.08 1.01 0.10 -1.00 121.20 127.05 3dmj s ILE 341 Ca -0.06 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 3dmj s ILE 341 Cb -0.07 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.89 3dmj s ILE 341 CO -0.05 0.53 0.97 -0.72 0.00 0.00 0.00 174.94 175.67 3dmj s TYR 342 N 0.04 -0.09 0.00 3.97 -0.85 0.62 -0.30 117.35 120.74 3dmj s TYR 342 Ca -0.01 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 3dmj s TYR 342 Cb -0.14 0.65 0.00 0.00 0.38 0.00 0.00 41.96 42.86 3dmj s TYR 342 CO 0.03 -0.85 0.00 1.04 -1.52 0.00 0.00 175.55 174.25 3dmj n GLN 343 N -0.51 2.13 -4.76 -3.49 6.02 -1.26 0.83 117.38 116.34 3dmj n GLN 343 Ca -0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.68 3dmj n GLN 343 Cb 0.61 -0.92 -0.16 0.00 1.02 0.00 0.00 30.24 30.79 3dmj n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dmj s GLU 344 N -1.74 1.72 0.08 -1.09 0.41 -1.26 -4.94 118.70 111.87 3dmj s GLU 344 Ca 0.00 -0.55 -0.36 0.00 -0.41 0.00 0.00 54.97 53.65 3dmj s GLU 344 Cb 0.00 -1.48 -0.15 0.00 -1.78 0.00 0.00 34.13 30.72 3dmj s GLU 344 CO 0.00 0.19 1.50 -0.35 -0.49 0.00 0.00 175.26 176.11 3dmj n PRO 345 N 3.28 1.61 -0.86 0.39 -0.04 -1.26 -1.51 135.00 136.61 3dmj n PRO 345 Ca -0.19 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3dmj n PRO 345 Cb 0.53 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3dmj n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dmj n PHE 346 N 3.37 0.00 -3.49 0.54 3.01 -1.26 -4.93 117.46 114.70 3dmj n PHE 346 Ca 0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.33 3dmj n PHE 346 Cb 0.23 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 3dmj n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3dmj n LYS 347 N -2.00 2.73 -2.23 -1.08 5.02 -0.57 -4.80 118.16 115.23 3dmj n LYS 347 Ca 0.00 -4.59 -0.41 0.00 -2.02 0.00 0.00 58.31 51.30 3dmj n LYS 347 Cb 0.00 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 32.65 3dmj n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dmj s ASN 348 N -1.70 6.93 -0.03 4.39 0.01 -1.26 -4.30 114.94 118.98 3dmj s ASN 348 Ca 0.33 2.55 0.16 0.00 -0.71 0.00 0.00 52.86 55.20 3dmj s ASN 348 Cb 0.05 -2.64 -0.20 0.00 0.41 0.00 0.00 41.25 38.87 3dmj s ASN 348 CO -0.05 -0.41 0.62 0.18 -1.51 0.00 0.00 177.10 175.93 3dmj n LEU 349 N 0.95 0.66 -3.51 0.60 4.77 0.59 -4.95 117.00 116.12 3dmj n LEU 349 Ca -0.00 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3dmj n LEU 349 Cb 0.43 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 3dmj n LEU 349 CO 0.58 0.28 0.57 -0.75 -1.33 0.00 0.00 177.39 176.73 3dmj s LYS 350 N -2.77 0.95 0.03 3.23 2.20 -0.99 -5.00 119.74 117.39 3dmj s LYS 350 Ca -0.05 -0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 3dmj s LYS 350 Cb 0.08 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.84 3dmj s LYS 350 CO 0.82 -0.36 0.12 0.95 -0.36 0.00 0.00 175.35 176.53 3dmj s THR 351 N -2.24 0.12 0.09 3.43 -4.23 -1.26 0.01 115.64 111.55 3dmj s THR 351 Ca -0.02 -0.96 -0.07 0.00 -1.18 0.00 0.00 61.69 59.47 3dmj s THR 351 Cb -0.01 -0.77 0.02 0.00 1.34 0.00 0.00 72.50 73.09 3dmj s THR 351 CO -0.02 -0.53 0.32 0.61 -0.54 0.00 0.00 174.62 174.47 3dmj n GLY 352 N 0.93 1.29 2.95 3.99 0.00 0.75 -4.57 105.19 110.54 3dmj n GLY 352 Ca -0.20 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3dmj n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmj s LYS 353 N -2.02 0.27 -0.04 1.61 1.02 -1.26 -1.35 119.74 117.97 3dmj s LYS 353 Ca 0.07 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.76 3dmj s LYS 353 Cb -0.01 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.18 3dmj s LYS 353 CO 0.03 0.03 -0.05 -0.47 -0.92 0.00 0.00 175.35 173.96 3dmj s TYR 354 N -0.59 0.74 -0.11 3.18 5.04 0.14 -4.97 117.35 120.78 3dmj s TYR 354 Ca -0.05 -0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.38 3dmj s TYR 354 Cb -0.04 -0.62 -0.02 0.00 0.35 0.00 0.00 41.96 41.62 3dmj s TYR 354 CO -0.00 -0.16 -0.08 0.00 -1.34 0.00 0.00 175.55 173.97 3dmj s ALA 355 N 0.69 2.85 0.51 3.97 0.00 -1.26 -0.24 121.76 128.28 3dmj s ALA 355 Ca -0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 3dmj s ALA 355 Cb -0.13 -1.29 -0.13 0.00 0.00 0.00 0.00 23.12 21.58 3dmj s ALA 355 CO 0.00 0.38 0.20 2.89 0.00 0.00 0.00 175.76 179.23 3dmj n ARG 356 N 2.98 0.24 -1.67 0.00 1.85 -0.27 -4.95 116.66 114.83 3dmj n ARG 356 Ca -0.18 0.09 -0.30 0.00 -1.00 0.00 0.00 57.85 56.47 3dmj n ARG 356 Cb 0.53 -1.30 0.09 0.00 -1.05 0.00 0.00 32.46 30.72 3dmj n ARG 356 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3dmj s MET 357 N -1.45 2.14 0.39 2.89 -1.94 -1.26 -4.98 119.30 115.09 3dmj s MET 357 Ca 0.62 0.49 -0.27 0.00 -1.71 0.00 0.00 55.69 54.82 3dmj s MET 357 Cb -0.50 -1.94 -0.10 0.00 2.01 0.00 0.00 34.83 34.30 3dmj s MET 357 CO 0.61 -1.55 1.42 0.50 -0.01 0.00 0.00 175.02 175.99 3dmj s ARG 358 N -5.27 4.02 -1.17 2.03 3.52 -1.26 -2.96 118.95 117.86 3dmj s ARG 358 Ca 0.61 2.43 -0.05 0.00 -0.13 0.00 0.00 55.73 58.58 3dmj s ARG 358 Cb -0.13 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3dmj s ARG 358 CO 0.53 -0.55 1.01 0.41 -0.81 0.00 0.00 175.30 175.89 3dmj n GLY 359 N 0.57 -0.36 0.00 8.12 0.00 -1.26 -4.87 105.19 107.39 3dmj n GLY 359 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dmj n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmj n ALA 360 N -4.40 0.70 -0.01 4.61 0.00 -1.16 -4.96 120.51 115.30 3dmj n ALA 360 Ca -0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 3dmj n ALA 360 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 3dmj n ALA 360 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dmj h HIS 361 N 0.00 -1.45 0.00 0.00 6.17 -1.90 -2.50 115.15 115.47 3dmj h HIS 361 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 3dmj h HIS 361 Cb 0.76 0.65 0.00 0.00 2.52 0.00 0.00 27.41 31.34 3dmj h HIS 361 CO 0.00 -0.49 0.00 0.25 0.71 0.00 0.00 177.93 178.40 3dmj n THR 362 N -5.11 0.00 -3.96 6.26 -2.24 -1.26 -4.61 114.28 103.36 3dmj n THR 362 Ca -0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 3dmj n THR 362 Cb 0.34 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.98 3dmj n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dmj s ASN 363 N -1.74 4.47 0.13 3.42 3.84 -0.94 -4.96 114.94 119.15 3dmj s ASN 363 Ca 0.26 -2.53 -0.20 0.00 0.21 0.00 0.00 52.86 50.60 3dmj s ASN 363 Cb 0.12 -1.56 -0.03 0.00 -0.55 0.00 0.00 41.25 39.23 3dmj s ASN 363 CO 0.20 -0.31 1.73 0.44 -2.79 0.00 0.00 177.10 176.37 3dmj h ASP 364 N 7.10 -0.04 -0.95 -4.21 3.45 -1.81 -1.90 116.42 118.05 3dmj h ASP 364 Ca -0.06 0.04 0.13 0.00 0.43 0.00 0.00 57.03 57.57 3dmj h ASP 364 Cb 0.96 0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.71 3dmj h ASP 364 CO 0.59 0.01 0.61 0.58 -1.57 0.00 0.00 179.24 179.45 3dmj h VAL 365 N 0.09 0.89 0.04 -1.35 2.07 -1.95 -1.11 116.25 114.93 3dmj h VAL 365 Ca 0.09 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3dmj h VAL 365 Cb 0.11 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3dmj h VAL 365 CO -0.14 0.16 -0.02 0.50 0.02 0.00 0.00 177.57 178.09 3dmj h LYS 366 N 0.87 -0.05 -0.49 1.57 3.64 -1.75 -2.02 116.57 118.34 3dmj h LYS 366 Ca 0.47 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.93 3dmj h LYS 366 Cb 0.57 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 3dmj h LYS 366 CO -0.24 0.23 0.12 1.96 -2.27 0.00 0.00 179.45 179.25 3dmj h GLN 367 N -0.33 0.26 -0.24 1.90 4.20 -0.58 -1.75 115.11 118.57 3dmj h GLN 367 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3dmj h GLN 367 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3dmj h GLN 367 CO 0.01 0.17 0.13 1.25 -0.67 0.00 0.00 178.83 179.72 3dmj h LEU 368 N 0.27 0.31 -0.70 1.46 5.85 -1.14 -0.06 115.31 121.29 3dmj h LEU 368 Ca 0.24 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3dmj h LEU 368 Cb 0.30 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3dmj h LEU 368 CO -0.29 0.32 0.46 0.71 -0.34 0.00 0.00 178.44 179.29 3dmj h THR 369 N 0.27 1.16 -0.20 1.05 1.35 -1.08 0.29 112.91 115.74 3dmj h THR 369 Ca 0.08 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 3dmj h THR 369 Cb 0.09 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 3dmj h THR 369 CO -0.01 0.17 0.07 -0.33 -0.25 0.00 0.00 175.52 175.16 3dmj h GLU 370 N 0.92 0.28 -0.13 4.72 5.08 -0.96 0.51 114.58 124.99 3dmj h GLU 370 Ca 0.26 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3dmj h GLU 370 Cb -0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3dmj h GLU 370 CO -0.07 0.25 -0.40 0.00 -1.00 0.00 0.00 179.01 177.78 3dmj h ALA 371 N 1.80 0.23 -0.39 3.43 0.00 0.65 -2.67 119.26 122.30 3dmj h ALA 371 Ca 0.07 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3dmj h ALA 371 Cb 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dmj h ALA 371 CO -0.01 0.33 0.21 0.28 0.00 0.00 0.00 179.25 180.07 3dmj h VAL 372 N 0.12 1.01 -0.60 0.00 2.07 0.47 0.64 116.25 119.95 3dmj h VAL 372 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3dmj h VAL 372 Cb 1.02 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3dmj h VAL 372 CO 0.09 0.08 0.30 1.56 0.02 0.00 0.00 177.57 179.61 3dmj h GLN 373 N 0.43 0.85 -0.14 1.57 4.20 -0.96 0.41 115.11 121.47 3dmj h GLN 373 Ca 0.16 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3dmj h GLN 373 Cb 0.04 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3dmj h GLN 373 CO -0.10 0.65 -0.35 -0.22 -0.67 0.00 0.00 178.83 178.15 3dmj h LYS 374 N 0.85 0.49 -0.43 1.46 3.64 -1.07 -0.25 116.57 121.25 3dmj h LYS 374 Ca 0.21 -0.33 -0.13 0.00 -1.27 0.00 0.00 60.65 59.13 3dmj h LYS 374 Cb 0.08 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3dmj h LYS 374 CO -0.03 0.95 -0.25 0.82 -2.27 0.00 0.00 179.45 178.66 3dmj h ILE 375 N 0.10 1.27 -0.56 2.00 2.04 -0.62 -1.63 117.51 120.12 3dmj h ILE 375 Ca -0.00 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.34 3dmj h ILE 375 Cb 0.95 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3dmj h ILE 375 CO 0.08 0.48 -0.07 0.74 0.00 0.00 0.00 178.15 179.38 3dmj h THR 376 N 0.78 1.27 -0.53 -0.27 2.02 -0.20 -1.66 112.91 114.32 3dmj h THR 376 Ca 0.10 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 3dmj h THR 376 Cb 0.81 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3dmj h THR 376 CO 0.07 0.43 0.12 0.74 0.37 0.00 0.00 175.52 177.25 3dmj h THR 377 N 0.91 1.25 -0.60 3.16 2.02 -0.88 -1.44 112.91 117.32 3dmj h THR 377 Ca 0.15 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 3dmj h THR 377 Cb 0.63 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3dmj h THR 377 CO 0.04 0.32 0.18 -0.33 0.37 0.00 0.00 175.52 176.10 3dmj h GLU 378 N 0.76 0.94 -0.22 6.66 5.08 -1.21 -1.23 114.58 125.36 3dmj h GLU 378 Ca 0.17 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3dmj h GLU 378 Cb 0.35 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3dmj h GLU 378 CO 0.00 0.85 -0.04 1.03 -1.00 0.00 0.00 179.01 179.85 3dmj h SER 379 N 0.86 -0.17 0.15 1.42 0.87 -1.06 0.25 113.55 115.87 3dmj h SER 379 Ca 0.19 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3dmj h SER 379 Cb 0.30 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3dmj h SER 379 CO -0.00 -0.06 -0.19 0.40 -0.53 0.00 0.00 176.83 176.45 3dmj h ILE 380 N 0.02 0.57 -0.69 2.23 2.04 -0.98 0.76 117.51 121.47 3dmj h ILE 380 Ca 0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.10 3dmj h ILE 380 Cb 0.15 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 36.70 3dmj h ILE 380 CO -0.21 0.00 0.15 0.58 0.00 0.00 0.00 178.15 178.67 3dmj h VAL 381 N -0.39 0.55 0.06 1.67 2.07 -0.87 0.78 116.25 120.13 3dmj h VAL 381 Ca 0.01 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3dmj h VAL 381 Cb 0.39 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3dmj h VAL 381 CO -0.08 0.05 -0.42 0.40 0.02 0.00 0.00 177.57 177.54 3dmj h ILE 382 N 0.26 1.63 0.00 4.57 2.04 -0.56 -3.37 117.51 122.08 3dmj h ILE 382 Ca 0.38 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3dmj h ILE 382 Cb 0.61 3.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 3dmj h ILE 382 CO -0.48 0.65 -0.44 0.79 0.00 0.00 0.00 178.15 178.68 3dmj n TRP 383 N -4.38 0.00 -1.15 1.37 8.01 0.26 -4.93 117.44 116.63 3dmj n TRP 383 Ca -0.13 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.01 3dmj n TRP 383 Cb 0.64 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.31 29.91 3dmj n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dmj n GLY 384 N 1.26 0.77 3.25 6.99 0.00 0.27 -4.97 105.19 112.75 3dmj n GLY 384 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 3dmj n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dmj s LYS 385 N -2.28 0.89 0.26 1.61 -2.85 -1.26 -4.97 119.74 111.15 3dmj s LYS 385 Ca 0.00 -0.76 -0.04 0.00 -1.00 0.00 0.00 55.97 54.17 3dmj s LYS 385 Cb 0.00 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3dmj s LYS 385 CO 0.00 -0.31 0.51 0.95 0.10 0.00 0.00 175.35 176.60 3dmj s THR 386 N -3.46 5.07 0.45 3.79 -4.23 -1.26 -3.46 115.64 112.54 3dmj s THR 386 Ca 0.01 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 3dmj s THR 386 Cb 0.02 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.15 3dmj s THR 386 CO -0.09 -0.27 0.64 -2.16 -0.54 0.00 0.00 174.62 172.20 3dmj s PRO 387 N -3.45 2.86 -0.07 3.99 0.04 -1.26 -4.71 135.00 132.39 3dmj s PRO 387 Ca 0.43 -0.85 -0.14 0.00 0.04 0.00 0.00 61.00 60.48 3dmj s PRO 387 Cb -0.11 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 3dmj s PRO 387 CO 0.29 -0.34 0.35 0.21 0.04 0.00 0.00 177.00 177.55 3dmj s LYS 388 N -4.50 3.99 0.08 4.56 2.20 -0.42 -4.06 119.74 121.60 3dmj s LYS 388 Ca 0.52 0.25 -0.02 0.00 -0.36 0.00 0.00 55.97 56.36 3dmj s LYS 388 Cb -0.10 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 3dmj s LYS 388 CO 0.36 0.52 0.27 -0.06 -0.36 0.00 0.00 175.35 176.07 3dmj s PHE 389 N -0.44 3.51 -0.41 4.03 0.40 0.11 -0.61 117.98 124.57 3dmj s PHE 389 Ca 0.21 0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.89 3dmj s PHE 389 Cb -0.15 -1.86 0.11 0.00 0.51 0.00 0.00 43.02 41.63 3dmj s PHE 389 CO 0.09 0.55 0.21 0.15 0.70 0.00 0.00 175.22 176.91 3dmj s LYS 390 N -2.45 2.04 -0.24 0.44 1.02 0.52 -0.53 119.74 120.54 3dmj s LYS 390 Ca 0.36 -1.80 -0.14 0.00 0.02 0.00 0.00 55.97 54.42 3dmj s LYS 390 Cb -0.13 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3dmj s LYS 390 CO 0.25 -1.06 0.30 -0.51 -0.92 0.00 0.00 175.35 173.41 3dmj s LEU 391 N 1.16 4.10 -0.55 3.17 1.43 -0.01 -2.21 118.68 125.77 3dmj s LEU 391 Ca 0.08 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.41 3dmj s LEU 391 Cb -0.23 -2.34 -0.16 0.00 0.03 0.00 0.00 46.19 43.49 3dmj s LEU 391 CO -0.04 -0.06 2.92 -0.81 0.23 0.00 0.00 176.35 178.59 3dmj n PRO 392 N 4.67 2.25 -3.94 1.29 -0.04 -1.26 -1.75 135.00 136.21 3dmj n PRO 392 Ca -0.11 -1.28 -0.10 0.00 -0.04 0.00 0.00 63.50 61.98 3dmj n PRO 392 Cb 0.51 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 3dmj n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dmj s ILE 393 N 1.87 0.09 0.18 0.52 2.07 -1.26 -4.95 121.20 119.72 3dmj s ILE 393 Ca 0.57 -0.75 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 3dmj s ILE 393 Cb 0.22 -0.26 -0.08 0.00 0.13 0.00 0.00 42.46 42.47 3dmj s ILE 393 CO -0.02 -0.41 1.17 -1.58 -1.91 0.00 0.00 174.94 172.19 3dmj s GLN 394 N -1.25 4.52 0.20 3.50 0.74 -1.26 -4.45 119.66 121.65 3dmj s GLN 394 Ca -0.14 1.83 -0.24 0.00 0.05 0.00 0.00 55.36 56.87 3dmj s GLN 394 Cb -0.08 -3.25 0.09 0.00 1.10 0.00 0.00 33.01 30.87 3dmj s GLN 394 CO -0.00 -0.05 1.55 -0.22 -0.55 0.00 0.00 175.29 176.01 3dmj h LYS 395 N 5.23 -0.01 0.08 1.67 3.64 -1.95 -1.45 116.57 123.77 3dmj h LYS 395 Ca -0.44 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3dmj h LYS 395 Cb 1.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3dmj h LYS 395 CO 0.74 -0.01 -0.25 0.93 -2.27 0.00 0.00 179.45 178.59 3dmj h GLU 396 N -0.01 -0.41 -0.37 1.90 3.07 -1.98 -1.10 114.58 115.67 3dmj h GLU 396 Ca 0.26 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.22 3dmj h GLU 396 Cb 0.51 0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 28.43 3dmj h GLU 396 CO -0.95 -0.28 -0.33 1.15 -1.40 0.00 0.00 179.01 177.20 3dmj h THR 397 N -0.43 0.23 -0.19 1.13 2.02 -1.68 -1.09 112.91 112.89 3dmj h THR 397 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3dmj h THR 397 Cb 0.47 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3dmj h THR 397 CO -0.17 0.00 0.11 -0.25 0.37 0.00 0.00 175.52 175.59 3dmj h TRP 398 N -0.27 0.26 0.00 3.16 2.91 -1.25 -2.90 115.95 117.85 3dmj h TRP 398 Ca 0.16 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 3dmj h TRP 398 Cb 0.54 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.11 3dmj h TRP 398 CO -0.53 0.21 -0.03 0.93 -1.03 0.00 0.00 178.44 177.99 3dmj h GLU 399 N 0.23 0.00 0.16 2.65 5.08 -0.87 0.11 114.58 121.95 3dmj h GLU 399 Ca 0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.13 3dmj h GLU 399 Cb 0.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.31 3dmj h GLU 399 CO -0.01 0.03 -1.31 1.15 -1.00 0.00 0.00 179.01 177.87 3dmj h THR 400 N 0.00 1.37 0.00 1.13 2.02 -1.01 -3.42 112.91 113.00 3dmj h THR 400 Ca -0.00 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.42 3dmj h THR 400 Cb 0.39 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3dmj h THR 400 CO 0.00 0.82 0.00 0.79 0.37 0.00 0.00 175.52 177.50 3dmj n TRP 401 N -3.67 0.00 0.14 3.16 8.01 -1.12 -4.82 117.44 119.14 3dmj n TRP 401 Ca -0.12 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.23 3dmj n TRP 401 Cb 1.03 0.00 0.74 0.00 -2.01 0.00 0.00 31.31 31.07 3dmj n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3dmj h TRP 402 N 0.00 0.00 0.00 -5.99 5.08 -1.22 -1.79 115.95 112.03 3dmj h TRP 402 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3dmj h TRP 402 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 3dmj h TRP 402 CO 0.00 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 177.41 3dmj n THR 403 N -4.18 0.56 0.32 0.12 -2.24 -1.26 -2.19 114.28 105.41 3dmj n THR 403 Ca 0.03 -0.10 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 3dmj n THR 403 Cb 0.37 -0.71 0.60 0.00 -2.10 0.00 0.00 70.33 68.49 3dmj n THR 403 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dmj h GLU 404 N 0.00 0.00 0.00 -0.78 4.39 -1.67 -3.23 114.58 113.29 3dmj h GLU 404 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dmj h GLU 404 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3dmj h GLU 404 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 3dmj n TYR 405 N -2.82 0.00 -2.08 4.33 4.02 -1.13 -5.01 117.16 114.48 3dmj n TYR 405 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.53 3dmj n TYR 405 Cb 0.30 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.63 3dmj n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3dmj s TRP 406 N -0.43 2.66 0.00 -0.72 -0.11 -0.93 -4.85 118.94 114.56 3dmj s TRP 406 Ca 0.00 1.47 0.00 0.00 1.22 0.00 0.00 56.10 58.79 3dmj s TRP 406 Cb 0.00 -3.54 0.00 0.00 -1.50 0.00 0.00 33.47 28.43 3dmj s TRP 406 CO 0.00 -2.03 0.00 1.04 -4.62 0.00 0.00 176.95 171.34 3dmj n GLN 407 N -0.66 0.00 -3.46 5.86 6.02 -1.26 -4.50 117.38 119.38 3dmj n GLN 407 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 3dmj n GLN 407 Cb 0.47 -0.43 -0.03 0.00 1.02 0.00 0.00 30.24 31.26 3dmj n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dmj s ALA 408 N 0.00 3.69 -0.30 -1.58 0.00 -1.26 -4.97 121.76 117.34 3dmj s ALA 408 Ca 0.00 -0.64 0.28 0.00 0.00 0.00 0.00 51.96 51.60 3dmj s ALA 408 Cb 0.00 -2.20 1.05 0.00 0.00 0.00 0.00 23.12 21.97 3dmj s ALA 408 CO 0.00 0.32 1.81 1.79 0.00 0.00 0.00 175.76 179.68 3dmj h THR 409 N 1.45 0.00 -1.53 0.00 1.35 -1.99 -3.44 112.91 108.75 3dmj h THR 409 Ca -0.48 -0.43 -0.54 0.00 -0.55 0.00 0.00 66.41 64.42 3dmj h THR 409 Cb 1.19 1.32 -0.06 0.00 -1.73 0.00 0.00 68.15 68.86 3dmj h THR 409 CO 0.67 0.00 -0.44 -1.66 -0.25 0.00 0.00 175.52 173.84 3dmj s TRP 410 N -3.41 2.62 -0.07 4.73 1.48 -1.26 -4.58 118.94 118.45 3dmj s TRP 410 Ca 0.04 -0.56 -0.03 0.00 -1.06 0.00 0.00 56.10 54.49 3dmj s TRP 410 Cb 0.09 -2.05 0.04 0.00 -1.16 0.00 0.00 33.47 30.39 3dmj s TRP 410 CO 0.50 0.04 0.16 0.42 -4.06 0.00 0.00 176.95 174.00 3dmj s ILE 411 N -2.55 -0.08 0.87 0.66 1.01 -1.26 -4.99 121.20 114.86 3dmj s ILE 411 Ca 0.44 0.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 3dmj s ILE 411 Cb 0.01 -0.26 0.18 0.00 0.01 0.00 0.00 42.46 42.40 3dmj s ILE 411 CO 0.25 0.08 1.20 -2.16 0.00 0.00 0.00 174.94 174.31 3dmj s PRO 412 N 1.34 0.94 0.23 2.79 0.04 -1.26 -4.91 135.00 134.17 3dmj s PRO 412 Ca -0.07 -0.83 -0.01 0.00 0.04 0.00 0.00 61.00 60.13 3dmj s PRO 412 Cb -0.12 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3dmj s PRO 412 CO -0.06 -2.09 0.43 -1.21 0.04 0.00 0.00 177.00 174.11 3dmj s GLU 413 N -5.59 3.53 0.12 4.56 0.41 -1.26 -5.01 118.70 115.47 3dmj s GLU 413 Ca 0.72 -0.31 -0.19 0.00 -0.41 0.00 0.00 54.97 54.79 3dmj s GLU 413 Cb -0.03 -2.80 0.05 0.00 -1.78 0.00 0.00 34.13 29.56 3dmj s GLU 413 CO 0.50 0.36 0.48 1.67 -0.49 0.00 0.00 175.26 177.77 3dmj s TRP 414 N -1.94 -0.34 0.04 1.61 -2.14 -1.26 -0.71 118.94 114.20 3dmj s TRP 414 Ca 0.39 0.11 -0.01 0.00 2.66 0.00 0.00 56.10 59.25 3dmj s TRP 414 Cb -0.11 0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 30.59 3dmj s TRP 414 CO 0.30 -0.74 -0.03 -1.83 -2.66 0.00 0.00 176.95 171.99 3dmj s GLU 415 N -3.58 0.53 -0.11 3.25 -1.05 0.31 -4.90 118.70 113.16 3dmj s GLU 415 Ca 0.01 -1.06 -0.02 0.00 -0.15 0.00 0.00 54.97 53.74 3dmj s GLU 415 Cb 0.01 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 3dmj s GLU 415 CO -0.11 -0.09 -0.02 -0.06 0.95 0.00 0.00 175.26 175.93 3dmj s PHE 416 N -3.29 3.09 0.34 4.83 0.40 -1.26 -0.83 117.98 121.26 3dmj s PHE 416 Ca 0.01 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 3dmj s PHE 416 Cb 0.03 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 3dmj s PHE 416 CO -0.08 0.29 0.15 0.14 0.70 0.00 0.00 175.22 176.42 3dmj s VAL 417 N -0.44 0.47 -0.50 -0.44 -7.23 -0.72 -4.89 120.40 106.65 3dmj s VAL 417 Ca 0.08 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3dmj s VAL 417 Cb -0.12 -2.48 0.13 0.00 0.56 0.00 0.00 36.38 34.47 3dmj s VAL 417 CO 0.02 0.00 0.28 0.20 -0.31 0.00 0.00 175.10 175.29 3dmj s ASN 418 N -3.46 4.97 -0.10 4.85 0.01 -1.26 -4.36 114.94 115.58 3dmj s ASN 418 Ca 0.32 -2.56 -0.39 0.00 -0.71 0.00 0.00 52.86 49.52 3dmj s ASN 418 Cb 0.04 -1.77 -0.17 0.00 0.41 0.00 0.00 41.25 39.77 3dmj s ASN 418 CO 0.17 -0.39 1.50 0.41 -1.51 0.00 0.00 177.10 177.28 3dmj n THR 419 N 3.82 0.13 -2.42 1.60 -1.04 -1.26 -4.92 114.28 110.19 3dmj n THR 419 Ca 0.04 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 3dmj n THR 419 Cb 0.38 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 3dmj n THR 419 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3dmj s PRO 420 N 1.84 4.50 0.22 -2.82 0.02 -1.26 -4.93 135.00 132.57 3dmj s PRO 420 Ca 0.92 1.81 -0.15 0.00 0.02 0.00 0.00 61.00 63.60 3dmj s PRO 420 Cb -1.06 -3.28 0.24 0.00 0.02 0.00 0.00 34.50 30.43 3dmj s PRO 420 CO 0.57 -0.10 1.60 -1.35 -0.33 0.00 0.00 177.00 177.39 3dmj h PRO 421 N 5.65 -0.05 -0.81 5.54 0.11 -2.02 -2.32 132.00 138.10 3dmj h PRO 421 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dmj h PRO 421 Cb 1.21 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3dmj h PRO 421 CO 0.76 -0.03 0.49 -0.07 -0.21 0.00 0.00 178.00 178.94 3dmj h LEU 422 N -0.05 0.97 -1.39 2.35 3.38 -1.99 -2.36 115.31 116.22 3dmj h LEU 422 Ca 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3dmj h LEU 422 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dmj h LEU 422 CO -0.75 0.74 0.30 0.58 0.09 0.00 0.00 178.44 179.41 3dmj h VAL 423 N 1.11 1.16 0.04 1.22 2.07 -1.81 0.92 116.25 120.96 3dmj h VAL 423 Ca 0.29 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3dmj h VAL 423 Cb -0.05 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3dmj h VAL 423 CO -0.06 0.17 -0.02 0.50 0.02 0.00 0.00 177.57 178.18 3dmj h LYS 424 N 0.73 -0.05 -0.64 1.57 3.11 -1.40 -2.95 116.57 116.94 3dmj h LYS 424 Ca 0.19 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.08 3dmj h LYS 424 Cb -0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.20 3dmj h LYS 424 CO -0.03 0.40 0.42 -0.07 -2.81 0.00 0.00 179.45 177.36 3dmj h LEU 425 N -0.52 0.61 0.83 5.20 3.38 -1.07 -2.38 115.31 121.36 3dmj h LEU 425 Ca -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dmj h LEU 425 Cb 0.47 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dmj h LEU 425 CO 0.01 0.41 -0.40 -0.25 0.09 0.00 0.00 178.44 178.30 3dmj h TRP 426 N 0.71 -1.03 0.00 1.13 2.91 -0.78 -3.19 115.95 115.70 3dmj h TRP 426 Ca 0.26 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3dmj h TRP 426 Cb 0.16 0.34 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 3dmj h TRP 426 CO -0.00 -0.64 0.00 0.66 -1.03 0.00 0.00 178.44 177.43 3dmj n TYR 427 N -5.51 0.00 0.23 2.65 4.01 -1.12 -1.57 117.16 115.85 3dmj n TYR 427 Ca -0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.72 3dmj n TYR 427 Cb 0.44 -0.20 0.36 0.00 -0.31 0.00 0.00 39.34 39.63 3dmj n TYR 427 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dmj h GLN 428 N 0.00 0.00 -0.01 -0.72 4.15 -1.41 -3.00 115.11 114.12 3dmj h GLN 428 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dmj h GLN 428 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3dmj h GLN 428 CO 0.00 0.10 0.00 1.28 -1.93 0.00 0.00 178.83 178.28 3dmj n LEU 429 N -3.16 0.28 -4.75 -2.39 4.32 -0.61 -4.93 117.00 105.76 3dmj n LEU 429 Ca 0.02 -0.10 -0.39 0.00 -0.02 0.00 0.00 56.01 55.52 3dmj n LEU 429 Cb 0.47 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 42.30 3dmj n LEU 429 CO 0.33 0.05 1.00 -0.70 -1.22 0.00 0.00 177.39 176.85 3dmj s GLU 430 N -1.99 3.29 0.50 3.23 2.12 -1.13 -0.26 118.70 124.46 3dmj s GLU 430 Ca 0.40 2.28 -0.20 0.00 0.36 0.00 0.00 54.97 57.80 3dmj s GLU 430 Cb 0.19 -2.36 -0.08 0.00 0.26 0.00 0.00 34.13 32.14 3dmj s GLU 430 CO 0.31 -1.08 1.08 0.21 -0.54 0.00 0.00 175.26 175.24 3dmj s LYS 431 N -2.78 3.68 0.05 4.30 2.20 0.13 -4.75 119.74 122.57 3dmj s LYS 431 Ca 0.69 1.49 0.03 0.00 -0.36 0.00 0.00 55.97 57.81 3dmj s LYS 431 Cb -0.41 -2.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3dmj s LYS 431 CO 0.50 -0.55 -0.09 -1.21 -0.36 0.00 0.00 175.35 173.64 3dmj s GLU 432 N -3.15 0.61 0.10 4.03 2.02 -1.26 -4.79 118.70 116.26 3dmj s GLU 432 Ca 0.68 -0.86 -0.27 0.00 0.02 0.00 0.00 54.97 54.53 3dmj s GLU 432 Cb -0.20 -0.36 -0.15 0.00 0.10 0.00 0.00 34.13 33.52 3dmj s GLU 432 CO 0.24 0.06 0.62 -2.30 0.02 0.00 0.00 175.26 173.90 3dmj n PRO 433 N 1.23 0.00 -0.27 0.39 -0.02 -1.26 -4.83 135.00 130.24 3dmj n PRO 433 Ca -0.21 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.34 3dmj n PRO 433 Cb 0.55 -1.00 0.20 0.00 -0.02 0.00 0.00 33.50 33.23 3dmj n PRO 433 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3dmj h ILE 434 N 1.52 0.33 0.00 4.25 2.04 -2.07 -3.36 117.51 120.22 3dmj h ILE 434 Ca -0.31 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3dmj h ILE 434 Cb 1.19 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3dmj h ILE 434 CO 0.50 0.02 -0.06 0.52 0.00 0.00 0.00 178.15 179.14 3dmj n VAL 435 N -5.32 1.00 0.00 1.67 0.31 -1.26 -5.15 118.33 109.59 3dmj n VAL 435 Ca 0.16 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3dmj n VAL 435 Cb 0.54 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3dmj n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dmj n GLY 436 N 3.20 -0.68 0.00 2.92 0.00 -1.26 -5.20 105.19 104.17 3dmj n GLY 436 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3dmj n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32