#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mma h GLU 2 N 0.00 0.69 -2.13 -1.46 4.39 -2.07 -3.37 114.58 110.63 3mma h GLU 2 Ca 0.00 -0.12 -0.57 0.00 0.34 0.00 0.00 59.36 59.01 3mma h GLU 2 Cb 0.00 -0.12 -0.40 0.00 -0.10 0.00 0.00 28.75 28.14 3mma h GLU 2 CO 0.00 0.61 -0.97 0.25 -1.16 0.00 0.00 179.01 177.73 3mma n THR 3 N -4.32 -0.12 -0.26 1.13 -2.24 -1.26 -5.00 114.28 102.21 3mma n THR 3 Ca 0.03 -4.18 0.03 0.00 -2.27 0.00 0.00 64.05 57.66 3mma n THR 3 Cb 0.19 -1.95 0.25 0.00 -2.10 0.00 0.00 70.33 66.72 3mma n THR 3 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3mma h PRO 4 N 4.32 0.97 0.06 -0.78 0.13 -2.00 -1.65 132.00 133.05 3mma h PRO 4 Ca 0.13 -0.06 -0.28 0.00 -0.87 0.00 0.00 66.00 64.92 3mma h PRO 4 Cb 0.84 -0.22 0.02 0.00 0.13 0.00 0.00 31.00 31.77 3mma h PRO 4 CO 0.53 0.64 -1.15 -0.07 -0.23 0.00 0.00 178.00 177.72 3mma h LEU 5 N 1.00 0.86 -0.65 1.56 -0.00 -1.94 -3.26 115.31 112.87 3mma h LEU 5 Ca 0.34 -0.74 -0.14 0.00 -0.00 0.00 0.00 57.88 57.33 3mma h LEU 5 Cb 0.10 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 3mma h LEU 5 CO -0.11 1.55 -0.50 -0.07 -0.00 0.00 0.00 178.44 179.30 3mma h LEU 6 N 0.32 0.48 -1.98 1.67 3.38 -1.91 -3.19 115.31 114.08 3mma h LEU 6 Ca -0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3mma h LEU 6 Cb 1.81 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 3mma h LEU 6 CO 0.22 0.90 -0.05 0.44 0.09 0.00 0.00 178.44 180.05 3mma h ASP 7 N 0.35 0.00 0.05 -0.43 5.19 -1.36 -0.75 116.42 119.46 3mma h ASP 7 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3mma h ASP 7 Cb 1.01 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 3mma h ASP 7 CO 0.09 0.05 -0.00 -0.33 -3.12 0.00 0.00 179.24 175.92 3mma h GLU 8 N 0.00 0.00 -0.24 3.56 4.39 -1.59 -2.23 114.58 118.47 3mma h GLU 8 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3mma h GLU 8 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3mma h GLU 8 CO 0.01 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.14 3mma n LEU 9 N -3.23 3.15 0.18 1.33 4.77 -0.29 -3.56 117.00 119.34 3mma n LEU 9 Ca -0.03 -1.32 0.12 0.00 -0.03 0.00 0.00 56.01 54.75 3mma n LEU 9 Cb 0.08 -0.15 0.14 0.00 -2.33 0.00 0.00 43.42 41.17 3mma n LEU 9 CO 0.22 0.63 0.61 -0.33 -1.33 0.00 0.00 177.39 177.18 3mma h GLU 10 N 4.21 0.00 -7.49 3.23 5.08 -1.44 -3.44 114.58 114.74 3mma h GLU 10 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3mma h GLU 10 Cb 0.93 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.29 3mma h GLU 10 CO 0.00 0.00 0.34 0.15 -1.00 0.00 0.00 179.01 178.50 3mma s LYS 11 N -3.24 1.71 0.00 2.33 1.02 -1.23 -4.87 119.74 115.45 3mma s LYS 11 Ca 0.05 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.41 3mma s LYS 11 Cb 0.07 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 3mma s LYS 11 CO 0.70 -1.82 0.00 0.41 -0.92 0.00 0.00 175.35 173.71 3mma n GLY 12 N -2.45 0.41 0.16 -3.33 0.00 -1.26 -4.85 105.19 93.87 3mma n GLY 12 Ca 0.07 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 3mma n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mma h PRO 13 N 0.00 0.24 -6.83 1.61 0.13 -1.99 -3.46 132.00 121.70 3mma h PRO 13 Ca 0.00 -0.18 -0.53 0.00 -0.87 0.00 0.00 66.00 64.43 3mma h PRO 13 Cb 0.00 0.03 0.07 0.00 0.13 0.00 0.00 31.00 31.23 3mma h PRO 13 CO 0.00 0.80 0.73 -0.46 -0.23 0.00 0.00 178.00 178.84 3mma s TRP 14 N -3.70 2.93 -0.21 1.56 -0.11 -1.26 -4.89 118.94 113.26 3mma s TRP 14 Ca -0.04 1.15 -0.36 0.00 1.22 0.00 0.00 56.10 58.08 3mma s TRP 14 Cb 0.12 -3.83 -0.12 0.00 -1.50 0.00 0.00 33.47 28.13 3mma s TRP 14 CO 0.80 -2.54 1.94 -0.35 -4.62 0.00 0.00 176.95 172.18 3mma n PRO 15 N 1.52 1.64 -2.51 5.86 -0.04 -1.26 -4.90 135.00 135.31 3mma n PRO 15 Ca 0.04 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.65 3mma n PRO 15 Cb 0.40 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 3mma n PRO 15 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mma s SER 16 N 4.91 7.18 0.22 3.54 0.15 -1.26 -4.94 113.70 123.49 3mma s SER 16 Ca 0.99 1.94 0.11 0.00 0.70 0.00 0.00 55.95 59.68 3mma s SER 16 Cb -0.82 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.03 3mma s SER 16 CO 0.54 -0.38 1.46 2.19 1.20 0.00 0.00 173.24 178.25 3mma h PHE 17 N 6.55 0.00 -0.55 3.44 -5.15 -1.90 -2.93 116.94 116.40 3mma h PHE 17 Ca -0.42 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.32 3mma h PHE 17 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.36 3mma h PHE 17 CO 0.66 0.73 0.20 0.28 -2.00 0.00 0.00 178.31 178.18 3mma h VAL 18 N 0.00 1.21 -0.65 0.88 2.07 -1.92 -0.57 116.25 117.27 3mma h VAL 18 Ca -0.01 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 3mma h VAL 18 Cb 1.40 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3mma h VAL 18 CO 0.09 0.26 0.14 0.50 0.02 0.00 0.00 177.57 178.58 3mma h LYS 19 N 0.79 1.03 -0.21 1.57 3.64 -1.87 -2.07 116.57 119.45 3mma h LYS 19 Ca 0.19 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3mma h LYS 19 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3mma h LYS 19 CO -0.01 0.93 0.09 0.93 -2.27 0.00 0.00 179.45 179.11 3mma h GLU 20 N 0.98 0.31 -0.24 1.90 4.39 -1.04 -0.62 114.58 120.27 3mma h GLU 20 Ca 0.20 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3mma h GLU 20 Cb 0.37 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3mma h GLU 20 CO 0.00 0.36 0.11 0.82 -1.16 0.00 0.00 179.01 179.15 3mma h ILE 21 N 0.19 1.14 0.25 3.13 2.04 -1.09 -2.56 117.51 120.62 3mma h ILE 21 Ca 0.07 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3mma h ILE 21 Cb 0.16 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3mma h ILE 21 CO -0.01 0.14 -0.17 0.11 0.00 0.00 0.00 178.15 178.22 3mma h LYS 22 N 0.25 -0.40 -1.16 2.37 1.57 -1.33 -2.48 116.57 115.39 3mma h LYS 22 Ca 0.08 0.03 0.33 0.00 -1.87 0.00 0.00 60.65 59.22 3mma h LYS 22 Cb 0.12 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 3mma h LYS 22 CO -0.01 -0.27 0.79 -0.22 -0.57 0.00 0.00 179.45 179.17 3mma h LYS 23 N -0.42 0.18 0.13 3.15 3.64 -1.04 -2.33 116.57 119.88 3mma h LYS 23 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3mma h LYS 23 Cb 0.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3mma h LYS 23 CO 0.01 0.12 -0.06 1.15 -2.27 0.00 0.00 179.45 178.40 3mma h THR 24 N 0.19 0.00 -0.48 1.00 2.02 -1.02 -3.14 112.91 111.47 3mma h THR 24 Ca 0.62 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 67.55 3mma h THR 24 Cb 2.01 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.32 3mma h THR 24 CO -0.19 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.50 3mma h ALA 25 N -1.57 0.18 -0.75 6.16 0.00 -1.33 0.18 119.26 122.12 3mma h ALA 25 Ca -0.02 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3mma h ALA 25 Cb 0.14 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3mma h ALA 25 CO 0.03 -0.53 0.38 0.93 0.00 0.00 0.00 179.25 180.06 3mma h GLU 26 N -0.09 0.60 0.00 0.00 5.08 -1.59 0.13 114.58 118.71 3mma h GLU 26 Ca 0.23 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3mma h GLU 26 Cb 0.44 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3mma h GLU 26 CO -0.54 0.40 -0.96 -0.07 -1.00 0.00 0.00 179.01 176.84 3mma h LEU 27 N 0.62 0.00 -0.54 1.33 3.38 -1.34 -1.71 115.31 117.05 3mma h LEU 27 Ca 0.38 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.20 3mma h LEU 27 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3mma h LEU 27 CO -0.29 0.85 -0.47 0.24 0.09 0.00 0.00 178.44 178.86 3mma h MET 28 N 0.00 0.64 0.00 1.13 2.86 -0.06 -0.11 114.93 119.39 3mma h MET 28 Ca -0.04 -0.37 -0.15 0.00 -2.06 0.00 0.00 59.70 57.09 3mma h MET 28 Cb 1.69 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.35 3mma h MET 28 CO 0.10 0.98 -0.69 0.93 1.06 0.00 0.00 176.91 179.29 3mma h GLU 29 N 0.51 0.00 -0.18 1.72 5.08 -0.82 -1.68 114.58 119.21 3mma h GLU 29 Ca 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3mma h GLU 29 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3mma h GLU 29 CO 0.10 0.69 -0.43 -0.22 -1.00 0.00 0.00 179.01 178.15 3mma h LYS 30 N 0.00 0.42 -0.02 2.33 3.64 -1.15 -2.44 116.57 119.36 3mma h LYS 30 Ca -0.01 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3mma h LYS 30 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3mma h LYS 30 CO 0.09 0.78 -0.05 0.00 -2.27 0.00 0.00 179.45 178.00 3mma h ALA 31 N 1.20 0.03 -0.55 5.00 0.00 -0.90 -3.09 119.26 120.94 3mma h ALA 31 Ca 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mma h ALA 31 Cb 0.90 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3mma h ALA 31 CO 0.08 -0.12 0.20 0.00 0.00 0.00 0.00 179.25 179.40 3mma h ALA 32 N 0.39 1.32 0.00 0.00 0.00 -1.36 -0.90 119.26 118.72 3mma h ALA 32 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mma h ALA 32 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3mma h ALA 32 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3mma h ALA 33 N 1.43 1.00 -0.50 0.00 0.00 -1.53 -2.66 119.26 117.00 3mma h ALA 33 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3mma h ALA 33 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mma h ALA 33 CO -0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.63 3mma n GLU 34 N -2.82 2.93 -0.83 0.00 1.02 -0.38 -4.92 120.64 115.64 3mma n GLU 34 Ca 0.01 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 3mma n GLU 34 Cb 0.28 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3mma n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mma n GLY 35 N 0.99 0.53 3.82 0.62 0.00 -1.00 -5.05 105.19 105.11 3mma n GLY 35 Ca 0.19 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3mma n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mma s LYS 36 N -0.97 3.72 -1.48 1.61 1.02 -0.98 -4.94 119.74 117.72 3mma s LYS 36 Ca 0.00 1.09 -0.10 0.00 0.02 0.00 0.00 55.97 56.98 3mma s LYS 36 Cb 0.00 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 3mma s LYS 36 CO 0.00 -0.47 2.74 -3.47 -0.92 0.00 0.00 175.35 173.23 3mma n ASP 37 N -1.65 7.58 -4.44 2.83 -0.08 -1.26 -4.60 116.55 114.93 3mma n ASP 37 Ca 0.08 -2.56 -0.41 0.00 -1.51 0.00 0.00 54.79 50.38 3mma n ASP 37 Cb 0.53 -1.49 -0.11 0.00 2.34 0.00 0.00 41.12 42.40 3mma n ASP 37 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3mma s VAL 38 N 2.52 4.94 0.12 5.18 1.01 -1.26 -4.39 120.40 128.52 3mma s VAL 38 Ca 0.63 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3mma s VAL 38 Cb 0.16 -3.70 -0.21 0.00 0.00 0.00 0.00 36.38 32.63 3mma s VAL 38 CO -0.06 -0.20 1.26 0.11 0.00 0.00 0.00 175.10 176.22 3mma h LYS 39 N 8.51 0.33 -2.71 2.72 1.79 -1.27 -3.38 116.57 122.56 3mma h LYS 39 Ca -0.28 -0.41 -0.61 0.00 -2.18 0.00 0.00 60.65 57.17 3mma h LYS 39 Cb 1.12 0.13 -0.42 0.00 -1.58 0.00 0.00 32.23 31.49 3mma h LYS 39 CO 0.68 1.12 -0.61 -1.33 -1.08 0.00 0.00 179.45 178.23 3mma n MET 40 N -3.66 1.98 0.14 3.15 2.81 -1.26 -4.86 117.12 115.42 3mma n MET 40 Ca -0.07 -4.46 0.03 0.00 -1.81 0.00 0.00 57.70 51.39 3mma n MET 40 Cb 0.89 -2.22 0.03 0.00 -0.71 0.00 0.00 33.22 31.22 3mma n MET 40 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3mma h PRO 41 N 4.93 0.00 0.00 0.03 0.11 -1.85 -3.27 132.00 131.95 3mma h PRO 41 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3mma h PRO 41 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3mma h PRO 41 CO 0.74 0.46 -0.04 1.63 -0.21 0.00 0.00 178.00 180.57 3mma n LYS 42 N -3.21 0.10 0.06 1.05 5.02 -1.26 -4.38 118.16 115.55 3mma n LYS 42 Ca 0.02 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 3mma n LYS 42 Cb 0.72 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 3mma n LYS 42 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3mma h GLY 43 N 4.81 -0.60 1.96 0.72 0.00 -1.86 -2.71 103.07 105.40 3mma h GLY 43 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 3mma h GLY 43 CO 0.00 -0.24 -0.56 0.00 0.00 0.00 0.00 176.54 175.74 3mma h ALA 44 N 0.18 1.04 0.12 3.60 0.00 -1.77 -2.65 119.26 119.77 3mma h ALA 44 Ca 0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3mma h ALA 44 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mma h ALA 44 CO -0.28 0.70 -0.06 -0.09 0.00 0.00 0.00 179.25 179.53 3mma h ARG 45 N 0.03 -0.15 -0.68 0.00 2.43 -1.81 -2.42 114.38 111.78 3mma h ARG 45 Ca -0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3mma h ARG 45 Cb 1.01 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 3mma h ARG 45 CO 0.08 0.19 0.45 0.78 -1.51 0.00 0.00 179.97 179.96 3mma h GLY 46 N -0.51 0.87 1.00 2.80 0.00 -1.48 -0.38 103.07 105.37 3mma h GLY 46 Ca -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3mma h GLY 46 CO 0.03 0.20 0.33 -2.00 0.00 0.00 0.00 176.54 175.09 3mma h LEU 47 N 0.68 0.80 -0.37 3.11 7.12 -1.43 -1.30 115.31 123.92 3mma h LEU 47 Ca 0.30 -0.11 -0.07 0.00 0.13 0.00 0.00 57.88 58.12 3mma h LEU 47 Cb 0.29 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 3mma h LEU 47 CO -0.10 0.69 -0.06 0.25 -0.13 0.00 0.00 178.44 179.09 3mma h LEU 48 N 0.86 0.69 -1.05 2.25 5.85 -0.68 -1.32 115.31 121.91 3mma h LEU 48 Ca 0.22 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3mma h LEU 48 Cb 0.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3mma h LEU 48 CO -0.03 0.87 0.09 0.11 -0.34 0.00 0.00 178.44 179.15 3mma h LYS 49 N 0.49 0.77 -0.21 1.25 1.57 -1.02 -0.58 116.57 118.85 3mma h LYS 49 Ca 0.10 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 3mma h LYS 49 Cb 0.56 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3mma h LYS 49 CO 0.03 0.72 -0.32 0.37 -0.57 0.00 0.00 179.45 179.68 3mma h GLN 50 N 0.74 0.59 -0.34 3.15 4.15 -1.15 -2.60 115.11 119.64 3mma h GLN 50 Ca 0.16 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 3mma h GLN 50 Cb 0.32 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3mma h GLN 50 CO 0.00 0.96 0.09 1.25 -1.93 0.00 0.00 178.83 179.20 3mma h LEU 51 N 0.27 0.46 -0.72 -2.39 5.85 -1.05 0.58 115.31 118.30 3mma h LEU 51 Ca 0.02 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3mma h LEU 51 Cb 0.90 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3mma h LEU 51 CO 0.07 0.46 0.31 -0.08 -0.34 0.00 0.00 178.44 178.87 3mma h GLU 52 N 0.49 1.06 -0.48 1.25 4.57 -1.05 -0.54 114.58 119.89 3mma h GLU 52 Ca 0.12 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 3mma h GLU 52 Cb 0.19 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3mma h GLU 52 CO -0.00 0.86 -0.14 0.82 -1.18 0.00 0.00 179.01 179.37 3mma h ILE 53 N 1.02 1.27 -0.83 2.32 2.04 -0.95 -2.30 117.51 120.09 3mma h ILE 53 Ca 0.24 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3mma h ILE 53 Cb 0.17 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3mma h ILE 53 CO -0.02 0.44 0.51 0.28 0.00 0.00 0.00 178.15 179.36 3mma h SER 54 N 0.80 0.98 -0.44 1.72 0.02 -0.67 0.23 113.55 116.19 3mma h SER 54 Ca 0.12 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3mma h SER 54 Cb 0.70 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3mma h SER 54 CO 0.05 0.74 -0.01 1.88 -1.14 0.00 0.00 176.83 178.35 3mma h TYR 55 N 1.14 0.92 -0.01 3.45 0.99 -0.98 0.62 116.97 123.10 3mma h TYR 55 Ca 0.30 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 3mma h TYR 55 Cb -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.41 3mma h TYR 55 CO 0.00 0.85 -0.00 -0.22 -0.00 0.00 0.00 178.16 178.79 3mma h LYS 56 N 0.79 0.01 0.00 4.88 1.63 -0.83 -3.28 116.57 119.78 3mma h LYS 56 Ca 0.15 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 3mma h LYS 56 Cb 0.49 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3mma h LYS 56 CO 0.02 0.33 -0.31 -0.44 -3.45 0.00 0.00 179.45 175.61 3mma h ASP 57 N -0.31 0.00 -4.62 4.20 5.19 -0.43 -3.47 116.42 116.97 3mma h ASP 57 Ca 0.00 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.00 3mma h ASP 57 Cb 0.33 0.00 0.07 0.00 0.18 0.00 0.00 39.33 39.91 3mma h ASP 57 CO 0.00 0.31 -0.62 0.29 -3.12 0.00 0.00 179.24 176.10 3mma n LYS 58 N -3.28 -5.29 -3.87 3.56 5.02 0.22 -5.01 118.16 109.50 3mma n LYS 58 Ca 0.01 0.91 -0.09 0.00 -2.02 0.00 0.00 58.31 57.13 3mma n LYS 58 Cb 0.57 -5.80 -0.08 0.00 -0.02 0.00 0.00 35.03 29.70 3mma n LYS 58 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3mma s LYS 59 N -5.77 0.78 0.82 1.97 -2.85 -1.10 -5.05 119.74 108.54 3mma s LYS 59 Ca 0.34 -0.90 -0.12 0.00 -1.00 0.00 0.00 55.97 54.29 3mma s LYS 59 Cb -0.15 0.32 0.09 0.00 -2.06 0.00 0.00 37.83 36.03 3mma s LYS 59 CO 0.42 -0.24 1.14 -0.08 0.10 0.00 0.00 175.35 176.69 3mma s THR 60 N -3.55 2.50 -0.09 3.79 -1.32 -1.26 -4.50 115.64 111.22 3mma s THR 60 Ca 0.03 0.18 0.18 0.00 -1.21 0.00 0.00 61.69 60.87 3mma s THR 60 Cb 0.04 -2.47 0.39 0.00 -1.51 0.00 0.00 72.50 68.95 3mma s THR 60 CO -0.09 -0.19 1.18 1.41 -2.21 0.00 0.00 174.62 174.71 3mma n HIS 61 N -3.61 0.00 -4.68 9.09 8.25 -1.26 -5.00 115.22 118.01 3mma n HIS 61 Ca 0.11 -0.89 -0.33 0.00 -0.26 0.00 0.00 57.72 56.35 3mma n HIS 61 Cb 0.52 -0.18 -0.13 0.00 1.12 0.00 0.00 29.99 31.32 3mma n HIS 61 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3mma s TRP 62 N -1.42 2.87 0.58 4.41 0.52 -1.26 -2.06 118.94 122.58 3mma s TRP 62 Ca 0.34 -0.30 0.10 0.00 0.02 0.00 0.00 56.10 56.25 3mma s TRP 62 Cb 0.35 -1.79 0.09 0.00 -1.15 0.00 0.00 33.47 30.97 3mma s TRP 62 CO -0.11 0.05 0.78 -1.59 0.02 0.00 0.00 176.95 176.10 3mma s LYS 63 N -0.16 2.28 0.50 4.98 -2.85 0.82 -4.86 119.74 120.45 3mma s LYS 63 Ca 0.01 -1.69 -0.23 0.00 -1.00 0.00 0.00 55.97 53.06 3mma s LYS 63 Cb -0.13 -2.61 -0.06 0.00 -2.06 0.00 0.00 37.83 32.97 3mma s LYS 63 CO 0.03 -0.88 1.32 -1.01 0.10 0.00 0.00 175.35 174.91 3mma s HIS 64 N -2.69 2.50 -0.31 1.78 3.76 -1.26 -4.10 115.29 114.97 3mma s HIS 64 Ca 0.60 1.40 -0.20 0.00 -0.15 0.00 0.00 55.06 56.71 3mma s HIS 64 Cb -0.05 -3.71 -0.01 0.00 1.11 0.00 0.00 32.58 29.92 3mma s HIS 64 CO 0.38 -2.50 0.63 0.20 -0.85 0.00 0.00 174.74 172.60 3mma s GLY 65 N -0.96 1.77 -0.19 -2.22 0.00 -1.26 -4.59 107.32 99.87 3mma s GLY 65 Ca 0.67 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 44.42 3mma s GLY 65 CO 0.46 1.47 1.83 -0.32 0.00 0.00 0.00 173.10 176.54 3mma s GLY 66 N 1.67 1.04 0.22 0.20 0.00 -1.26 -4.91 107.32 104.27 3mma s GLY 66 Ca 0.25 0.64 -0.30 0.00 0.00 0.00 0.00 44.72 45.32 3mma s GLY 66 CO 0.12 3.29 0.87 1.39 0.00 0.00 0.00 173.10 178.78 3mma n ILE 67 N 6.72 1.68 -3.68 0.90 2.08 -1.26 -4.75 119.36 121.05 3mma n ILE 67 Ca 0.22 -0.42 -0.14 0.00 0.56 0.00 0.00 62.75 62.97 3mma n ILE 67 Cb 0.45 -0.57 -0.07 0.00 -0.75 0.00 0.00 39.64 38.70 3mma n ILE 67 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3mma s VAL 68 N -0.81 0.05 0.00 1.39 0.11 -1.26 -5.03 120.40 114.85 3mma s VAL 68 Ca 0.65 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 3mma s VAL 68 Cb -0.84 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 3mma s VAL 68 CO 0.57 -0.21 0.00 -1.54 -3.33 0.00 0.00 175.10 170.58 3mma n SER 69 N 0.89 0.00 -4.68 3.54 3.41 -1.26 -4.67 113.62 110.86 3mma n SER 69 Ca -0.20 -0.68 -0.25 0.00 -0.26 0.00 0.00 58.87 57.48 3mma n SER 69 Cb 0.58 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 3mma n SER 69 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3mma s VAL 70 N -2.71 2.37 0.09 -3.33 -7.23 -1.26 -4.83 120.40 103.50 3mma s VAL 70 Ca 0.00 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.00 3mma s VAL 70 Cb 0.00 -2.93 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 3mma s VAL 70 CO 0.00 -0.08 1.62 -0.69 -0.31 0.00 0.00 175.10 175.64 3mma s VAL 71 N -2.59 2.96 0.00 1.32 1.01 -1.26 -2.82 120.40 119.01 3mma s VAL 71 Ca 0.37 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3mma s VAL 71 Cb 0.04 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3mma s VAL 71 CO 0.20 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3mma n GLY 72 N 3.91 2.89 3.91 4.51 0.00 -1.26 -5.03 105.19 114.12 3mma n GLY 72 Ca 0.15 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 3mma n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mma s TYR 73 N -0.57 3.52 -0.01 1.61 2.02 -1.13 -4.83 117.35 117.96 3mma s TYR 73 Ca 0.00 0.73 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 3mma s TYR 73 Cb 0.00 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 3mma s TYR 73 CO 0.00 -0.08 0.07 0.41 -1.57 0.00 0.00 175.55 174.38 3mma n GLY 74 N -1.71 -0.17 3.39 0.71 0.00 0.36 -4.32 105.19 103.46 3mma n GLY 74 Ca -0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3mma n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mma s GLY 75 N -2.65 1.75 0.00 -0.02 0.00 -0.70 -4.85 107.32 100.85 3mma s GLY 75 Ca -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.84 3mma s GLY 75 CO 0.15 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 172.10 3mma n GLY 76 N -0.53 2.17 3.13 0.20 0.00 -1.26 -4.68 105.19 104.22 3mma n GLY 76 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3mma n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mma s VAL 77 N -2.19 1.93 -0.28 1.61 1.01 -1.26 -2.10 120.40 119.12 3mma s VAL 77 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3mma s VAL 77 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3mma s VAL 77 CO 0.00 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 175.05 3mma s ILE 78 N 0.99 3.92 0.32 2.22 1.01 -0.83 -4.73 121.20 124.11 3mma s ILE 78 Ca -0.04 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 3mma s ILE 78 Cb -0.15 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 3mma s ILE 78 CO -0.05 0.15 1.18 -0.83 0.00 0.00 0.00 174.94 175.40 3mma s GLY 79 N 1.51 3.00 -0.15 6.18 0.00 -1.26 -1.92 107.32 114.67 3mma s GLY 79 Ca 0.03 1.03 -0.12 0.00 0.00 0.00 0.00 44.72 45.66 3mma s GLY 79 CO 0.02 1.63 0.40 -1.60 0.00 0.00 0.00 173.10 173.54 3mma s ARG 80 N -1.76 0.44 0.04 2.90 6.06 -1.26 -4.27 118.95 121.09 3mma s ARG 80 Ca 0.49 0.62 0.05 0.00 -2.50 0.00 0.00 55.73 54.39 3mma s ARG 80 Cb -0.34 0.14 -0.02 0.00 0.06 0.00 0.00 34.95 34.79 3mma s ARG 80 CO 0.44 -0.09 -0.15 0.71 -2.50 0.00 0.00 175.30 173.72 3mma s TYR 81 N 0.58 1.28 -0.06 5.12 1.51 -1.26 -2.13 117.35 122.40 3mma s TYR 81 Ca -0.03 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.52 3mma s TYR 81 Cb -0.05 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 3mma s TYR 81 CO -0.04 0.04 0.40 0.45 -1.11 0.00 0.00 175.55 175.30 3mma s SER 82 N -1.17 6.71 0.00 2.29 0.15 -1.12 -0.13 113.70 120.42 3mma s SER 82 Ca 0.02 0.84 0.30 0.00 0.70 0.00 0.00 55.95 57.81 3mma s SER 82 Cb -0.08 -2.25 1.65 0.00 -1.71 0.00 0.00 66.02 63.63 3mma s SER 82 CO 0.01 0.21 2.08 -0.90 1.20 0.00 0.00 173.24 175.84 3mma n ASP 83 N 2.59 0.00 -2.10 5.45 5.68 -0.87 -1.99 116.55 125.29 3mma n ASP 83 Ca -0.12 -0.58 -0.24 0.00 -0.50 0.00 0.00 54.79 53.35 3mma n ASP 83 Cb 0.52 -0.13 0.16 0.00 -1.14 0.00 0.00 41.12 40.53 3mma n ASP 83 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mma n LEU 84 N -1.13 6.55 -0.25 -2.12 4.77 -1.26 -4.81 117.00 118.75 3mma n LEU 84 Ca 0.19 -3.80 0.13 0.00 -0.03 0.00 0.00 56.01 52.50 3mma n LEU 84 Cb 0.16 -0.83 0.41 0.00 -2.33 0.00 0.00 43.42 40.83 3mma n LEU 84 CO 0.19 1.19 1.22 1.23 -1.33 0.00 0.00 177.39 179.89 3mma h GLY 85 N 1.23 1.09 0.95 -0.72 0.00 -1.64 -0.67 103.07 103.31 3mma h GLY 85 Ca 0.57 -0.27 -0.32 0.00 0.00 0.00 0.00 47.33 47.32 3mma h GLY 85 CO 1.10 0.08 -1.74 1.05 0.00 0.00 0.00 176.54 177.03 3mma h GLU 86 N 0.62 0.15 -0.36 4.80 4.11 -1.87 -3.19 114.58 118.84 3mma h GLU 86 Ca 0.44 -0.25 -0.08 0.00 0.07 0.00 0.00 59.36 59.53 3mma h GLU 86 Cb 0.78 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3mma h GLU 86 CO -0.19 0.90 -0.10 0.37 0.07 0.00 0.00 179.01 180.05 3mma h GLN 87 N 0.04 0.71 -3.36 1.06 4.15 -1.86 -3.35 115.11 112.49 3mma h GLN 87 Ca -0.31 -0.28 -0.65 0.00 0.77 0.00 0.00 58.65 58.18 3mma h GLN 87 Cb 2.01 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 29.27 3mma h GLN 87 CO 0.10 0.87 -0.54 0.42 -1.93 0.00 0.00 178.83 177.75 3mma s ILE 88 N -4.76 2.95 0.38 2.39 1.01 -0.29 -4.99 121.20 117.90 3mma s ILE 88 Ca -0.13 -3.45 0.10 0.00 0.00 0.00 0.00 60.65 57.17 3mma s ILE 88 Cb 0.09 -2.99 0.32 0.00 0.01 0.00 0.00 42.46 39.90 3mma s ILE 88 CO 0.81 -0.87 1.93 -0.65 0.00 0.00 0.00 174.94 176.17 3mma h PRO 89 N 6.38 0.60 0.00 2.79 0.11 -1.69 -2.85 132.00 137.34 3mma h PRO 89 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3mma h PRO 89 Cb 0.87 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3mma h PRO 89 CO 0.71 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 178.04 3mma n GLU 90 N -4.50 0.31 -0.36 1.05 0.00 -1.26 -2.63 120.64 113.25 3mma n GLU 90 Ca 0.13 0.09 0.07 0.00 0.00 0.00 0.00 57.16 57.44 3mma n GLU 90 Cb 0.36 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.48 3mma n GLU 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3mma n VAL 91 N -1.27 2.11 -0.00 3.84 0.24 -1.08 -4.65 118.33 117.52 3mma n VAL 91 Ca 0.10 -2.58 -0.09 0.00 -2.04 0.00 0.00 64.34 59.73 3mma n VAL 91 Cb 0.16 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.34 3mma n VAL 91 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3mma h GLU 92 N 0.64 0.58 -5.09 7.34 4.81 -1.66 -2.98 114.58 118.22 3mma h GLU 92 Ca 0.03 -0.34 -0.67 0.00 -0.13 0.00 0.00 59.36 58.24 3mma h GLU 92 Cb 1.13 0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 3mma h GLU 92 CO 0.07 0.94 -0.86 -1.01 -0.73 0.00 0.00 179.01 177.42 3mma s HIS 93 N -4.08 2.75 -0.37 0.92 3.76 -1.26 -3.84 115.29 113.16 3mma s HIS 93 Ca -0.08 -1.57 0.12 0.00 -0.15 0.00 0.00 55.06 53.38 3mma s HIS 93 Cb 0.12 -1.89 0.35 0.00 1.11 0.00 0.00 32.58 32.26 3mma s HIS 93 CO 0.84 -0.76 0.74 0.34 -0.85 0.00 0.00 174.74 175.05 3mma n PHE 94 N 4.48 0.01 -2.46 1.40 7.35 -0.90 -4.30 117.46 123.03 3mma n PHE 94 Ca -0.21 -3.73 -0.37 0.00 -0.76 0.00 0.00 57.45 52.38 3mma n PHE 94 Cb 0.50 -0.31 -0.03 0.00 0.35 0.00 0.00 39.48 39.98 3mma n PHE 94 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3mma s HIS 95 N -2.27 3.26 0.03 -5.13 3.76 0.84 -4.20 115.29 111.58 3mma s HIS 95 Ca 0.39 1.63 -0.11 0.00 -0.15 0.00 0.00 55.06 56.82 3mma s HIS 95 Cb 0.34 -3.22 -0.05 0.00 1.11 0.00 0.00 32.58 30.76 3mma s HIS 95 CO -0.08 -0.80 0.36 0.95 -0.85 0.00 0.00 174.74 174.32 3mma s THR 96 N -1.52 5.13 -0.09 1.30 -4.23 -0.81 -1.40 115.64 114.03 3mma s THR 96 Ca 0.56 0.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.62 3mma s THR 96 Cb -0.26 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 3mma s THR 96 CO 0.32 0.42 -0.21 -0.04 -0.54 0.00 0.00 174.62 174.57 3mma s MET 97 N -1.56 2.98 -0.32 3.99 -1.94 -0.18 -1.96 119.30 120.31 3mma s MET 97 Ca 0.28 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.31 3mma s MET 97 Cb -0.15 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.34 3mma s MET 97 CO 0.15 0.26 0.20 1.03 -0.01 0.00 0.00 175.02 176.65 3mma s ARG 98 N 0.17 3.49 -0.24 2.03 0.52 -0.89 -0.61 118.95 123.43 3mma s ARG 98 Ca -0.12 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.38 3mma s ARG 98 Cb -0.16 -3.70 -0.03 0.00 0.52 0.00 0.00 34.95 31.57 3mma s ARG 98 CO 0.07 -0.40 0.07 0.42 0.02 0.00 0.00 175.30 175.48 3mma s ILE 99 N 1.69 4.44 -0.11 1.52 -1.09 0.13 0.12 121.20 127.90 3mma s ILE 99 Ca 0.06 -0.13 -0.32 0.00 -2.23 0.00 0.00 60.65 58.03 3mma s ILE 99 Cb -0.17 -3.06 -0.09 0.00 -1.58 0.00 0.00 42.46 37.55 3mma s ILE 99 CO 0.09 0.36 2.02 -3.20 -1.23 0.00 0.00 174.94 172.97 3mma n ASN 100 N 4.65 3.50 -4.81 3.58 4.05 -0.89 -0.07 115.26 125.27 3mma n ASN 100 Ca -0.16 0.73 -0.33 0.00 0.45 0.00 0.00 54.58 55.27 3mma n ASN 100 Cb 0.52 -1.45 -0.01 0.00 1.23 0.00 0.00 39.78 40.07 3mma n ASN 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3mma s GLN 101 N 4.91 3.52 0.30 1.20 0.00 -1.26 -4.70 119.66 123.63 3mma s GLN 101 Ca 0.95 1.18 -0.29 0.00 -0.00 0.00 0.00 55.36 57.20 3mma s GLN 101 Cb -0.56 -2.06 -0.10 0.00 0.00 0.00 0.00 33.01 30.30 3mma s GLN 101 CO 0.45 -0.65 1.15 -2.14 0.00 0.00 0.00 175.29 174.10 3mma s PRO 102 N -3.94 4.52 -0.09 9.60 0.02 -1.26 -4.92 135.00 138.93 3mma s PRO 102 Ca 0.63 1.89 -0.38 0.00 0.02 0.00 0.00 61.00 63.16 3mma s PRO 102 Cb -0.15 -3.10 -0.16 0.00 0.02 0.00 0.00 34.50 31.11 3mma s PRO 102 CO 0.33 0.07 1.55 0.43 -0.33 0.00 0.00 177.00 179.05 3mma n SER 103 N 0.97 2.06 0.00 2.53 7.64 -1.26 -0.22 113.62 125.34 3mma n SER 103 Ca -0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 3mma n SER 103 Cb 0.44 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 3mma n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mma n GLY 104 N 3.36 0.49 2.77 0.23 0.00 -1.25 -4.08 105.19 106.71 3mma n GLY 104 Ca 0.22 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3mma n GLY 104 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mma n TRP 105 N -2.98 -1.54 -3.01 1.61 8.01 0.69 -4.81 117.44 115.42 3mma n TRP 105 Ca 0.00 0.24 -0.38 0.00 -1.31 0.00 0.00 57.50 56.05 3mma n TRP 105 Cb 0.00 -3.62 -0.06 0.00 -2.01 0.00 0.00 31.31 25.62 3mma n TRP 105 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 3mma s PHE 106 N -2.95 3.78 -0.03 -5.99 0.40 -1.25 -4.98 117.98 106.96 3mma s PHE 106 Ca 0.16 1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 57.99 3mma s PHE 106 Cb -0.08 -2.72 0.01 0.00 0.51 0.00 0.00 43.02 40.73 3mma s PHE 106 CO 0.20 0.41 0.13 0.71 0.70 0.00 0.00 175.22 177.37 3mma s TYR 107 N -1.34 -0.05 0.16 0.36 1.51 -1.26 -4.65 117.35 112.08 3mma s TYR 107 Ca 0.40 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.59 3mma s TYR 107 Cb -0.20 -0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.61 3mma s TYR 107 CO 0.24 -0.17 0.28 -1.54 -1.11 0.00 0.00 175.55 173.25 3mma s SER 108 N -0.63 6.29 0.37 2.29 1.04 -1.26 -5.03 113.70 116.76 3mma s SER 108 Ca -0.07 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.54 3mma s SER 108 Cb -0.04 -1.88 0.72 0.00 0.10 0.00 0.00 66.02 64.91 3mma s SER 108 CO 0.01 0.04 2.01 0.71 0.98 0.00 0.00 173.24 176.99 3mma h THR 109 N 1.60 1.12 0.58 2.02 1.35 -2.01 -2.94 112.91 114.63 3mma h THR 109 Ca -0.49 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 3mma h THR 109 Cb 1.20 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3mma h THR 109 CO 0.67 0.14 -0.42 0.50 -0.25 0.00 0.00 175.52 176.16 3mma h LYS 110 N 0.76 -0.92 -0.93 4.72 3.64 -1.99 -0.68 116.57 121.18 3mma h LYS 110 Ca 0.23 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.80 3mma h LYS 110 Cb -0.01 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 31.88 3mma h LYS 110 CO -0.06 -0.61 -0.42 0.00 -2.27 0.00 0.00 179.45 176.09 3mma n ALA 111 N -2.66 -0.27 -0.14 5.00 0.00 -1.12 -0.61 120.51 120.71 3mma n ALA 111 Ca -0.12 0.88 -0.07 0.00 0.00 0.00 0.00 53.44 54.14 3mma n ALA 111 Cb 0.41 -0.32 0.02 0.00 0.00 0.00 0.00 19.45 19.56 3mma n ALA 111 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mma h LEU 112 N 0.00 0.40 -1.24 0.00 3.38 -1.44 -2.16 115.31 114.26 3mma h LEU 112 Ca 0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3mma h LEU 112 Cb 0.50 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3mma h LEU 112 CO -0.91 0.29 0.48 0.03 0.09 0.00 0.00 178.44 178.42 3mma h ARG 113 N 0.51 1.00 -0.30 1.13 3.08 0.67 -1.99 114.38 118.47 3mma h ARG 113 Ca 0.18 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3mma h ARG 113 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3mma h ARG 113 CO -0.09 0.67 0.20 0.78 -1.07 0.00 0.00 179.97 180.46 3mma h GLY 114 N 1.03 0.43 0.76 0.04 0.00 -0.25 -0.73 103.07 104.34 3mma h GLY 114 Ca 0.27 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.49 3mma h GLY 114 CO -0.06 0.16 0.47 1.41 0.00 0.00 0.00 176.54 178.53 3mma h LEU 115 N 0.40 0.75 -0.64 3.11 3.38 -1.04 -2.71 115.31 118.56 3mma h LEU 115 Ca 0.11 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3mma h LEU 115 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3mma h LEU 115 CO -0.02 0.49 0.11 0.00 0.09 0.00 0.00 178.44 179.11 3mma h ASP 117 N 0.96 -0.18 -0.46 0.00 5.19 -0.85 -0.20 116.42 120.89 3mma h ASP 117 Ca 0.19 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.55 3mma h ASP 117 Cb 0.42 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 3mma h ASP 117 CO 0.01 -0.07 -0.12 0.58 -3.12 0.00 0.00 179.24 176.52 3mma h VAL 118 N -0.02 1.27 -0.02 -1.35 2.07 -1.42 -2.93 116.25 113.85 3mma h VAL 118 Ca 0.08 -1.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.16 3mma h VAL 118 Cb 0.14 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3mma h VAL 118 CO -0.17 0.43 -0.82 -0.25 0.02 0.00 0.00 177.57 176.78 3mma h TRP 119 N 0.73 0.33 -0.79 1.57 -0.00 -1.27 -1.06 115.95 115.47 3mma h TRP 119 Ca 0.11 -0.17 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 3mma h TRP 119 Cb 0.67 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.75 3mma h TRP 119 CO 0.05 0.95 0.52 1.49 -0.00 0.00 0.00 178.44 181.45 3mma h GLU 120 N 0.14 1.03 0.49 2.65 4.81 -1.06 0.23 114.58 122.87 3mma h GLU 120 Ca -0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3mma h GLU 120 Cb 1.43 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3mma h GLU 120 CO 0.13 0.68 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.64 3mma h LYS 121 N 1.06 -0.63 0.00 1.92 3.64 -1.32 -3.39 116.57 117.85 3mma h LYS 121 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3mma h LYS 121 Cb -0.12 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3mma h LYS 121 CO -0.06 -0.33 -1.23 0.91 -2.27 0.00 0.00 179.45 176.47 3mma n TRP 122 N -5.27 0.10 -3.09 1.91 7.02 -0.42 -0.94 117.44 116.76 3mma n TRP 122 Ca -0.11 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 3mma n TRP 122 Cb 0.31 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 3mma n TRP 122 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mma n GLY 123 N 1.39 6.78 0.04 6.99 0.00 0.79 -4.66 105.19 116.53 3mma n GLY 123 Ca 0.01 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.30 3mma n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mma n SER 124 N -0.14 0.56 0.00 1.61 3.41 -0.76 -4.22 113.62 114.09 3mma n SER 124 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3mma n SER 124 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3mma n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mma n GLY 125 N 1.40 0.74 3.60 5.00 0.00 -1.26 -4.17 105.19 110.50 3mma n GLY 125 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3mma n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mma s LEU 126 N 0.00 3.75 0.17 0.99 1.02 -1.26 -4.97 118.68 118.38 3mma s LEU 126 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.21 3mma s LEU 126 Cb 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 3mma s LEU 126 CO 0.00 0.13 -0.07 0.42 0.02 0.00 0.00 176.35 176.85 3mma s THR 127 N 0.66 1.06 -0.19 5.49 -4.23 -1.26 -0.61 115.64 116.56 3mma s THR 127 Ca 0.03 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3mma s THR 127 Cb -0.13 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3mma s THR 127 CO 0.02 -0.62 -0.11 0.20 -0.54 0.00 0.00 174.62 173.56 3mma s ASN 128 N -3.20 3.85 -0.37 3.99 0.01 0.30 -4.92 114.94 114.60 3mma s ASN 128 Ca 0.20 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.91 3mma s ASN 128 Cb 0.04 -1.63 0.11 0.00 0.41 0.00 0.00 41.25 40.17 3mma s ASN 128 CO 0.03 0.01 0.09 -0.36 -1.51 0.00 0.00 177.10 175.36 3mma s PHE 129 N 1.25 3.67 0.37 2.20 0.08 -1.26 -2.27 117.98 122.02 3mma s PHE 129 Ca 0.03 -3.01 0.06 0.00 0.12 0.00 0.00 56.93 54.13 3mma s PHE 129 Cb -0.14 -2.93 -0.07 0.00 -0.57 0.00 0.00 43.02 39.31 3mma s PHE 129 CO -0.05 -0.92 0.02 -1.01 -0.10 0.00 0.00 175.22 173.16 3mma s HIS 130 N 0.72 2.29 0.88 0.36 3.76 -1.26 -5.15 115.29 116.90 3mma s HIS 130 Ca 0.12 -0.76 -0.10 0.00 -0.15 0.00 0.00 55.06 54.16 3mma s HIS 130 Cb -0.20 -1.55 0.12 0.00 1.11 0.00 0.00 32.58 32.06 3mma s HIS 130 CO -0.07 0.30 1.14 0.20 -0.85 0.00 0.00 174.74 175.46 3mma s GLY 131 N -3.61 1.71 0.12 -2.22 0.00 -0.18 -4.92 107.32 98.22 3mma s GLY 131 Ca 0.35 0.54 -0.24 0.00 0.00 0.00 0.00 44.72 45.37 3mma s GLY 131 CO 0.17 0.94 1.66 0.23 0.00 0.00 0.00 173.10 176.10 3mma h SER 132 N -1.66 -0.54 -0.40 1.64 0.87 -1.98 -2.08 113.55 109.39 3mma h SER 132 Ca -0.43 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.18 3mma h SER 132 Cb 1.26 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 3mma h SER 132 CO 0.44 -0.24 0.15 0.74 -0.53 0.00 0.00 176.83 177.39 3mma h THR 133 N -0.28 1.19 0.00 2.23 2.02 -1.95 -3.46 112.91 112.65 3mma h THR 133 Ca 0.07 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3mma h THR 133 Cb 0.37 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3mma h THR 133 CO -0.20 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.54 3mma n GLY 134 N -1.06 1.07 3.74 2.16 0.00 -0.78 -4.52 105.19 105.80 3mma n GLY 134 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3mma n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mma s ASP 135 N -0.45 4.90 0.13 1.61 1.01 -1.26 -4.48 116.67 118.12 3mma s ASP 135 Ca 0.00 2.58 -0.30 0.00 0.71 0.00 0.00 52.55 55.54 3mma s ASP 135 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3mma s ASP 135 CO 0.00 -1.80 1.22 -0.63 0.21 0.00 0.00 175.17 174.17 3mma s ILE 136 N -1.43 3.72 -0.41 0.77 1.01 0.89 -1.01 121.20 124.74 3mma s ILE 136 Ca 0.79 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.66 3mma s ILE 136 Cb -0.36 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.32 3mma s ILE 136 CO 0.39 0.15 0.26 -0.63 0.00 0.00 0.00 174.94 175.12 3mma s ILE 137 N 0.54 4.53 -0.54 2.92 -1.09 -0.96 0.17 121.20 126.78 3mma s ILE 137 Ca 0.57 -1.12 -0.28 0.00 -2.23 0.00 0.00 60.65 57.59 3mma s ILE 137 Cb -0.32 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 3mma s ILE 137 CO 0.33 -0.41 1.12 -0.36 -1.23 0.00 0.00 174.94 174.39 3mma s PHE 138 N 1.51 2.72 -0.55 3.97 2.99 0.22 -0.53 117.98 128.31 3mma s PHE 138 Ca 0.03 0.43 -0.16 0.00 0.00 0.00 0.00 56.93 57.22 3mma s PHE 138 Cb -0.22 -4.38 0.13 0.00 0.00 0.00 0.00 43.02 38.55 3mma s PHE 138 CO 0.05 -1.42 0.52 -1.17 -0.00 0.00 0.00 175.22 173.20 3mma s LEU 139 N 4.56 6.13 0.00 -0.37 2.96 0.22 -1.01 118.68 131.18 3mma s LEU 139 Ca 0.42 -1.78 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 3mma s LEU 139 Cb -0.08 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.39 3mma s LEU 139 CO 0.26 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 3mma n GLY 140 N 5.23 0.51 3.67 7.98 0.00 -0.79 -4.34 105.19 117.45 3mma n GLY 140 Ca -0.13 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 3mma n GLY 140 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mma s THR 141 N 0.00 0.01 0.58 2.61 -1.32 -0.49 -1.82 115.64 115.20 3mma s THR 141 Ca 0.00 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 3mma s THR 141 Cb 0.00 -1.97 0.04 0.00 -1.51 0.00 0.00 72.50 69.06 3mma s THR 141 CO 0.00 -0.03 0.81 -0.13 -2.21 0.00 0.00 174.62 173.06 3mma s ARG 142 N -3.94 2.47 0.17 7.08 0.52 -1.26 -0.11 118.95 123.88 3mma s ARG 142 Ca 0.15 -0.72 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 3mma s ARG 142 Cb -0.03 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 33.05 3mma s ARG 142 CO 0.05 -0.81 1.48 0.77 0.02 0.00 0.00 175.30 176.81 3mma h SER 143 N -0.04 0.74 0.24 0.23 0.02 -2.00 -3.03 113.55 109.71 3mma h SER 143 Ca -0.42 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3mma h SER 143 Cb 1.30 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3mma h SER 143 CO 0.53 1.13 -0.12 -1.84 -1.14 0.00 0.00 176.83 175.40 3mma n GLU 144 N -3.98 0.91 0.04 3.45 0.00 -1.26 -3.36 120.64 116.44 3mma n GLU 144 Ca -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 57.16 56.75 3mma n GLU 144 Cb 0.61 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 30.49 3mma n GLU 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3mma n TYR 145 N -0.70 0.96 -0.04 -1.84 4.01 -1.15 -4.39 117.16 114.02 3mma n TYR 145 Ca 0.15 0.31 -0.08 0.00 -0.16 0.00 0.00 57.90 58.13 3mma n TYR 145 Cb 0.29 -1.06 -0.02 0.00 -0.31 0.00 0.00 39.34 38.25 3mma n TYR 145 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3mma h LEU 146 N 0.00 -0.55 0.37 7.72 3.38 -1.55 -1.22 115.31 123.46 3mma h LEU 146 Ca -0.13 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3mma h LEU 146 Cb 1.47 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 3mma h LEU 146 CO 0.04 -0.21 -0.21 -0.61 0.09 0.00 0.00 178.44 177.54 3mma h GLN 147 N -0.17 -0.52 -0.43 1.13 5.75 -1.77 -2.23 115.11 116.86 3mma h GLN 147 Ca 0.13 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 3mma h GLN 147 Cb 0.37 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 3mma h GLN 147 CO -0.33 -0.35 0.12 -1.35 -2.65 0.00 0.00 178.83 174.28 3mma h PRO 148 N -0.54 0.63 -0.76 -2.39 0.11 -1.75 -2.61 132.00 124.69 3mma h PRO 148 Ca -0.04 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3mma h PRO 148 Cb 0.44 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3mma h PRO 148 CO 0.06 0.56 0.45 0.00 -0.21 0.00 0.00 178.00 178.86 3mma h PHE 150 N 1.04 0.67 -0.21 0.00 3.57 -1.20 -1.98 116.94 118.82 3mma h PHE 150 Ca 0.27 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3mma h PHE 150 Cb -0.02 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 3mma h PHE 150 CO -0.01 0.83 -0.06 0.93 -2.23 0.00 0.00 178.31 177.78 3mma h GLU 151 N 0.49 -0.00 -0.11 1.11 5.08 -1.20 -3.03 114.58 116.92 3mma h GLU 151 Ca 0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 3mma h GLU 151 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3mma h GLU 151 CO 0.07 -0.00 -0.78 -0.44 -1.00 0.00 0.00 179.01 176.85 3mma h ASP 152 N -0.00 0.75 -0.98 1.42 3.32 -1.27 -2.59 116.42 117.06 3mma h ASP 152 Ca 0.10 -0.50 0.08 0.00 0.02 0.00 0.00 57.03 56.73 3mma h ASP 152 Cb 0.16 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 3mma h ASP 152 CO -0.22 1.28 0.62 -0.07 -1.72 0.00 0.00 179.24 179.13 3mma h LEU 153 N 0.42 0.97 -0.93 1.55 3.38 -1.39 -0.97 115.31 118.34 3mma h LEU 153 Ca -0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3mma h LEU 153 Cb 1.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3mma h LEU 153 CO 0.15 0.58 -0.26 1.23 0.09 0.00 0.00 178.44 180.23 3mma h GLY 154 N 1.08 0.00 -1.10 0.83 0.00 -1.40 -2.84 103.07 99.64 3mma h GLY 154 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3mma h GLY 154 CO -0.21 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.03 3mma n ASN 155 N -3.37 2.05 -4.77 0.19 3.02 -0.44 -4.77 115.26 107.17 3mma n ASN 155 Ca 0.00 -1.75 -0.38 0.00 -0.03 0.00 0.00 54.58 52.43 3mma n ASN 155 Cb 0.48 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 3mma n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mma s LEU 156 N -1.66 4.20 0.29 3.41 1.43 -0.75 -4.95 118.68 120.66 3mma s LEU 156 Ca 0.34 2.30 0.05 0.00 -1.03 0.00 0.00 54.13 55.79 3mma s LEU 156 Cb 0.19 -4.03 0.73 0.00 0.03 0.00 0.00 46.19 43.11 3mma s LEU 156 CO 0.29 -0.63 1.73 -0.08 0.23 0.00 0.00 176.35 177.89 3mma h GLU 157 N 2.66 0.54 -4.08 1.70 4.81 -1.91 -2.80 114.58 115.50 3mma h GLU 157 Ca -0.49 -0.03 -0.70 0.00 -0.13 0.00 0.00 59.36 58.01 3mma h GLU 157 Cb 1.23 -0.12 -0.34 0.00 0.63 0.00 0.00 28.75 30.15 3mma h GLU 157 CO 0.63 0.36 -0.42 0.42 -0.73 0.00 0.00 179.01 179.26 3mma s ILE 158 N -5.87 3.70 0.24 2.32 1.01 -1.26 -5.10 121.20 116.25 3mma s ILE 158 Ca -0.11 -2.38 -0.17 0.00 0.00 0.00 0.00 60.65 57.98 3mma s ILE 158 Cb 0.25 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 3mma s ILE 158 CO 0.79 -0.79 0.70 -2.16 0.00 0.00 0.00 174.94 173.48 3mma s PRO 159 N 0.67 4.13 -0.02 2.79 0.04 -1.06 -4.88 135.00 136.67 3mma s PRO 159 Ca 0.12 0.75 0.07 0.00 0.04 0.00 0.00 61.00 61.97 3mma s PRO 159 Cb -0.22 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 3mma s PRO 159 CO -0.03 0.33 -0.22 -0.06 0.04 0.00 0.00 177.00 177.05 3mma s PHE 160 N -1.67 2.02 0.62 0.56 0.40 -1.08 -4.99 117.98 113.84 3mma s PHE 160 Ca 0.46 -0.42 0.07 0.00 -0.60 0.00 0.00 56.93 56.44 3mma s PHE 160 Cb -0.14 -1.31 0.10 0.00 0.51 0.00 0.00 43.02 42.18 3mma s PHE 160 CO 0.20 -0.06 0.85 0.34 0.70 0.00 0.00 175.22 177.25 3mma s ASP 161 N -0.45 4.88 0.19 1.36 -1.08 -1.26 -4.04 116.67 116.26 3mma s ASP 161 Ca 0.07 -0.76 -0.20 0.00 -0.52 0.00 0.00 52.55 51.13 3mma s ASP 161 Cb -0.09 0.29 -0.08 0.00 -1.46 0.00 0.00 42.92 41.58 3mma s ASP 161 CO -0.00 -1.51 0.71 -0.63 0.52 0.00 0.00 175.17 174.26 3mma s ILE 162 N -2.80 4.56 0.02 4.11 -1.09 -1.26 -2.09 121.20 122.64 3mma s ILE 162 Ca 0.63 1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 60.39 3mma s ILE 162 Cb -0.05 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3mma s ILE 162 CO 0.41 0.31 0.02 0.61 -1.23 0.00 0.00 174.94 175.05 3mma n GLY 163 N 1.00 -1.43 3.75 6.18 0.00 0.32 -4.51 105.19 110.50 3mma n GLY 163 Ca -0.04 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 3mma n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mma s GLY 164 N -2.93 1.95 0.17 -0.02 0.00 -1.26 -3.98 107.32 101.24 3mma s GLY 164 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 3mma s GLY 164 CO 0.01 -0.51 0.34 -1.35 0.00 0.00 0.00 173.10 171.59 3mma s SER 165 N -0.93 -0.03 0.00 1.64 1.04 -1.26 -4.48 113.70 109.67 3mma s SER 165 Ca 0.14 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3mma s SER 165 Cb -0.12 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3mma s SER 165 CO 0.03 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3mma n GLY 166 N -0.24 0.20 2.82 7.32 0.00 -1.26 -4.12 105.19 109.90 3mma n GLY 166 Ca -0.08 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3mma n GLY 166 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mma n SER 167 N 2.91 6.32 -2.06 1.61 7.64 -1.26 -4.13 113.62 124.65 3mma n SER 167 Ca 0.00 -3.53 -0.08 0.00 1.01 0.00 0.00 58.87 56.27 3mma n SER 167 Cb 0.00 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 3mma n SER 167 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3mma n ASP 168 N 0.70 0.43 -4.65 6.43 5.75 -1.25 -2.08 116.55 121.88 3mma n ASP 168 Ca 0.34 -1.77 -0.43 0.00 -0.01 0.00 0.00 54.79 52.92 3mma n ASP 168 Cb 0.32 0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.86 3mma n ASP 168 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3mma s LEU 169 N 0.00 4.02 0.75 -2.12 2.96 0.71 -1.78 118.68 123.21 3mma s LEU 169 Ca 0.10 1.28 -0.11 0.00 -0.22 0.00 0.00 54.13 55.19 3mma s LEU 169 Cb 0.01 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.20 3mma s LEU 169 CO 0.07 -0.82 1.08 -0.13 -1.32 0.00 0.00 176.35 175.23 3mma s ARG 170 N 3.56 2.48 -0.17 1.98 1.81 0.45 -4.07 118.95 124.98 3mma s ARG 170 Ca 0.48 0.89 -0.35 0.00 -1.72 0.00 0.00 55.73 55.03 3mma s ARG 170 Cb -0.15 -1.94 -0.12 0.00 -0.45 0.00 0.00 34.95 32.29 3mma s ARG 170 CO 0.13 -1.41 1.92 2.41 -0.68 0.00 0.00 175.30 177.68 3mma n THR 171 N -3.33 0.47 -2.04 0.02 -1.04 -1.26 -4.70 114.28 102.40 3mma n THR 171 Ca 0.08 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.05 61.61 3mma n THR 171 Cb 0.54 -1.78 0.02 0.00 -1.82 0.00 0.00 70.33 67.29 3mma n THR 171 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3mma s PRO 172 N 4.43 3.19 0.20 -2.82 0.02 -1.26 -4.78 135.00 133.98 3mma s PRO 172 Ca 0.97 1.38 0.04 0.00 0.02 0.00 0.00 61.00 63.40 3mma s PRO 172 Cb -0.76 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.71 3mma s PRO 172 CO 0.53 -0.94 -0.04 -1.54 -0.33 0.00 0.00 177.00 174.68 3mma s SER 173 N -2.40 1.82 -0.04 2.53 1.04 -1.10 -4.98 113.70 110.57 3mma s SER 173 Ca 0.67 -1.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.85 3mma s SER 173 Cb -0.19 0.00 0.02 0.00 0.10 0.00 0.00 66.02 65.95 3mma s SER 173 CO 0.34 -0.44 0.26 0.00 0.98 0.00 0.00 173.24 174.38 3mma s ALA 174 N -3.38 -0.65 1.04 5.32 0.00 -1.26 -1.22 121.76 121.60 3mma s ALA 174 Ca 0.24 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 3mma s ALA 174 Cb 0.04 -0.06 0.21 0.00 0.00 0.00 0.00 23.12 23.31 3mma s ALA 174 CO 0.06 -0.21 1.07 0.00 0.00 0.00 0.00 175.76 176.67 3mma h MET 176 N -2.12 0.00 0.00 0.00 -0.00 -1.92 -3.42 114.93 107.46 3mma h MET 176 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.15 3mma h MET 176 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.92 3mma h MET 176 CO 0.52 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.84 3mma n GLY 177 N -1.60 2.73 0.12 -3.00 0.00 -1.26 -2.11 105.19 100.07 3mma n GLY 177 Ca 0.09 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3mma n GLY 177 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mma n PRO 178 N 14.00 0.15 0.04 1.61 -0.04 -1.26 -0.01 135.00 149.49 3mma n PRO 178 Ca 0.00 0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 63.92 3mma n PRO 178 Cb 0.00 -1.84 0.26 0.00 -0.04 0.00 0.00 33.50 31.88 3mma n PRO 178 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mma h ALA 179 N 2.19 1.23 0.00 0.55 0.00 -1.81 -3.39 119.26 118.04 3mma h ALA 179 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3mma h ALA 179 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mma h ALA 179 CO 0.00 0.50 -0.22 1.28 0.00 0.00 0.00 179.25 180.81 3mma n LEU 180 N -4.17 0.00 -4.32 0.00 4.77 -1.05 -5.10 117.00 107.13 3mma n LEU 180 Ca -0.00 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 3mma n LEU 180 Cb 0.36 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 3mma n LEU 180 CO 0.41 0.00 -0.35 0.00 -1.33 0.00 0.00 177.39 176.12 3mma n GLU 182 N 4.81 0.12 0.09 0.00 0.00 -1.26 -2.04 120.64 122.36 3mma n GLU 182 Ca -0.17 0.21 0.03 0.00 0.00 0.00 0.00 57.16 57.23 3mma n GLU 182 Cb 0.50 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.42 3mma n GLU 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 3mma h PHE 183 N 0.00 0.00 -1.25 -1.84 0.04 -1.93 -3.47 116.94 108.50 3mma h PHE 183 Ca 0.00 0.00 -0.78 0.00 2.80 0.00 0.00 57.97 59.99 3mma h PHE 183 Cb 0.13 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.31 3mma h PHE 183 CO 0.00 0.45 0.45 0.00 -0.60 0.00 0.00 178.31 178.61 3mma n ALA 184 N -2.29 -1.88 0.87 2.45 0.00 -0.87 -4.71 120.51 114.08 3mma n ALA 184 Ca -0.03 0.52 0.11 0.00 0.00 0.00 0.00 53.44 54.04 3mma n ALA 184 Cb 0.75 -1.95 0.04 0.00 0.00 0.00 0.00 19.45 18.28 3mma n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mma s TYR 186 N -3.06 -0.26 -1.12 0.00 -0.85 -1.26 -4.14 117.35 106.66 3mma s TYR 186 Ca 0.08 -0.03 -0.21 0.00 -0.52 0.00 0.00 57.07 56.38 3mma s TYR 186 Cb 0.16 0.62 0.02 0.00 0.38 0.00 0.00 41.96 43.15 3mma s TYR 186 CO 0.80 -0.88 1.69 0.34 -1.52 0.00 0.00 175.55 175.98 3mma s ASP 187 N -2.81 6.23 0.25 -0.18 -1.08 -1.26 -4.45 116.67 113.37 3mma s ASP 187 Ca 0.08 -1.71 -0.04 0.00 -0.52 0.00 0.00 52.55 50.36 3mma s ASP 187 Cb -0.02 -2.57 0.34 0.00 -1.46 0.00 0.00 42.92 39.20 3mma s ASP 187 CO -0.02 -1.78 1.89 0.71 0.52 0.00 0.00 175.17 176.49 3mma h THR 188 N 6.36 1.13 -0.30 1.71 1.35 -1.92 -2.47 112.91 118.78 3mma h THR 188 Ca 0.27 -0.40 -0.09 0.00 -0.55 0.00 0.00 66.41 65.64 3mma h THR 188 Cb 0.95 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 3mma h THR 188 CO 1.38 0.22 -0.15 -0.07 -0.25 0.00 0.00 175.52 176.64 3mma h LEU 189 N 1.18 0.65 -0.15 3.87 4.07 -1.88 -0.77 115.31 122.29 3mma h LEU 189 Ca 0.39 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3mma h LEU 189 Cb 0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 3mma h LEU 189 CO -0.14 0.92 0.10 -0.08 -1.08 0.00 0.00 178.44 178.16 3mma h GLU 190 N 0.38 0.19 -0.70 1.13 4.57 -1.94 -2.22 114.58 115.99 3mma h GLU 190 Ca 0.06 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3mma h GLU 190 Cb 0.68 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 3mma h GLU 190 CO 0.05 0.13 0.44 1.25 -1.18 0.00 0.00 179.01 179.69 3mma h LEU 191 N 0.20 0.73 0.10 1.64 5.85 -1.29 -0.15 115.31 122.39 3mma h LEU 191 Ca 0.06 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3mma h LEU 191 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3mma h LEU 191 CO -0.02 0.51 -0.11 0.00 -0.34 0.00 0.00 178.44 178.48 3mma h TYR 193 N -0.24 0.28 -0.72 0.00 3.20 -1.18 -1.32 116.97 116.99 3mma h TYR 193 Ca 0.01 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3mma h TYR 193 Cb 0.23 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 3mma h TYR 193 CO -0.12 0.39 0.37 0.22 -1.64 0.00 0.00 178.16 177.38 3mma h ASP 194 N 0.08 0.51 0.15 -2.11 1.82 -0.97 0.13 116.42 116.03 3mma h ASP 194 Ca 0.05 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 3mma h ASP 194 Cb 0.25 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.23 3mma h ASP 194 CO -0.00 0.30 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.78 3mma h LEU 195 N 0.64 -0.17 -0.82 2.28 3.38 -1.27 0.77 115.31 120.11 3mma h LEU 195 Ca 0.35 -0.22 0.19 0.00 0.09 0.00 0.00 57.88 58.29 3mma h LEU 195 Cb 0.34 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 3mma h LEU 195 CO -0.25 0.13 0.29 0.74 0.09 0.00 0.00 178.44 179.43 3mma h THR 196 N -0.49 0.51 -0.08 0.22 2.02 -0.60 -1.84 112.91 112.66 3mma h THR 196 Ca -0.02 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3mma h THR 196 Cb 0.38 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3mma h THR 196 CO 0.03 0.06 -0.33 0.24 0.37 0.00 0.00 175.52 175.90 3mma h MET 197 N 0.35 0.36 -0.60 6.66 2.86 -0.65 -3.16 114.93 120.75 3mma h MET 197 Ca 0.48 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 3mma h MET 197 Cb 0.86 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.52 3mma h MET 197 CO -0.51 0.92 0.29 1.15 1.06 0.00 0.00 176.91 179.82 3mma h THR 198 N -0.12 0.91 -1.61 2.22 2.02 -0.21 -2.95 112.91 113.17 3mma h THR 198 Ca -0.02 -0.19 -0.67 0.00 0.77 0.00 0.00 66.41 66.30 3mma h THR 198 Cb 0.98 0.32 -0.34 0.00 -1.74 0.00 0.00 68.15 67.36 3mma h THR 198 CO 0.07 0.10 0.19 -1.22 0.37 0.00 0.00 175.52 175.03 3mma n TYR 199 N -4.88 3.16 -0.14 3.16 4.02 -0.75 -4.74 117.16 116.99 3mma n TYR 199 Ca 0.07 -2.69 -0.05 0.00 -0.01 0.00 0.00 57.90 55.22 3mma n TYR 199 Cb 0.19 -0.71 0.04 0.00 -0.02 0.00 0.00 39.34 38.84 3mma n TYR 199 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3mma h GLN 200 N 2.67 0.39 -0.53 -0.72 1.08 -1.48 -2.43 115.11 114.09 3mma h GLN 200 Ca 0.45 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.66 3mma h GLN 200 Cb 0.58 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 3mma h GLN 200 CO 1.17 0.25 0.30 0.22 -0.95 0.00 0.00 178.83 179.82 3mma h ASP 201 N 0.40 0.46 0.82 1.46 3.58 -1.88 -0.07 116.42 121.19 3mma h ASP 201 Ca 0.20 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3mma h ASP 201 Cb 0.15 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.12 3mma h ASP 201 CO -0.17 0.32 0.00 -0.33 -2.88 0.00 0.00 179.24 176.18 3mma h GLU 202 N 0.58 0.00 0.06 0.28 3.07 -1.74 -0.07 114.58 116.76 3mma h GLU 202 Ca 0.22 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.86 3mma h GLU 202 Cb 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3mma h GLU 202 CO -0.13 0.00 -1.20 1.25 -1.40 0.00 0.00 179.01 177.53 3mma h LEU 203 N 0.00 0.21 0.07 1.33 6.46 -0.84 0.20 115.31 122.74 3mma h LEU 203 Ca 0.00 -0.77 -0.26 0.00 -0.12 0.00 0.00 57.88 56.73 3mma h LEU 203 Cb 0.41 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 3mma h LEU 203 CO 0.00 1.51 -1.27 0.45 -0.62 0.00 0.00 178.44 178.50 3mma h HIS 204 N -0.60 0.27 -3.53 1.25 3.86 -0.93 -3.41 115.15 112.07 3mma h HIS 204 Ca -0.28 -0.20 -0.68 0.00 -1.16 0.00 0.00 60.37 58.05 3mma h HIS 204 Cb 1.53 -0.01 -0.37 0.00 1.06 0.00 0.00 27.41 29.62 3mma h HIS 204 CO 0.14 1.19 -0.56 1.03 0.86 0.00 0.00 177.93 180.58 3mma s ARG 205 N -2.66 1.99 0.04 2.45 0.52 -0.05 -0.48 118.95 120.76 3mma s ARG 205 Ca -0.04 -2.07 -0.30 0.00 -0.52 0.00 0.00 55.73 52.80 3mma s ARG 205 Cb 0.08 -3.50 -0.08 0.00 0.52 0.00 0.00 34.95 31.97 3mma s ARG 205 CO 0.85 -1.07 1.71 -2.14 0.02 0.00 0.00 175.30 174.67 3mma s PRO 206 N 0.68 4.18 0.00 3.54 0.02 -1.26 -4.54 135.00 137.62 3mma s PRO 206 Ca 0.12 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3mma s PRO 206 Cb -0.22 -3.76 0.00 0.00 0.02 0.00 0.00 34.50 30.55 3mma s PRO 206 CO -0.04 -0.80 0.07 -1.33 -0.33 0.00 0.00 177.00 174.57 3mma n MET 207 N 6.19 1.90 -2.86 5.54 2.81 -1.05 -4.92 117.12 124.73 3mma n MET 207 Ca 0.17 -0.07 -0.24 0.00 -1.81 0.00 0.00 57.70 55.75 3mma n MET 207 Cb 0.41 -0.37 0.01 0.00 -0.71 0.00 0.00 33.22 32.56 3mma n MET 207 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3mma s TRP 208 N -0.29 3.29 0.61 2.03 0.51 -0.88 -4.97 118.94 119.23 3mma s TRP 208 Ca 0.00 0.39 0.42 0.00 -2.12 0.00 0.00 56.10 54.80 3mma s TRP 208 Cb 0.00 -2.36 2.27 0.00 -0.81 0.00 0.00 33.47 32.57 3mma s TRP 208 CO 0.00 -0.40 2.33 -1.35 -0.51 0.00 0.00 176.95 177.01 3mma h PRO 209 N 0.29 0.00 0.00 4.98 0.11 -1.84 -3.45 132.00 132.08 3mma h PRO 209 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 3mma h PRO 209 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3mma h PRO 209 CO 0.59 0.00 0.20 0.98 -0.21 0.00 0.00 178.00 179.56 3mma n TYR 210 N -3.17 -0.81 -1.51 0.65 9.36 -1.26 -0.93 117.16 119.50 3mma n TYR 210 Ca -0.03 -0.42 -0.31 0.00 3.32 0.00 0.00 57.90 60.46 3mma n TYR 210 Cb 0.10 0.20 0.07 0.00 -0.63 0.00 0.00 39.34 39.08 3mma n TYR 210 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3mma s LYS 211 N -2.02 2.60 -0.14 2.98 -2.85 -1.26 -3.85 119.74 115.21 3mma s LYS 211 Ca 0.08 0.92 -0.07 0.00 -1.00 0.00 0.00 55.97 55.90 3mma s LYS 211 Cb -0.01 -1.95 0.05 0.00 -2.06 0.00 0.00 37.83 33.86 3mma s LYS 211 CO 0.02 -1.33 0.33 0.12 0.10 0.00 0.00 175.35 174.59 3mma s PHE 212 N -3.04 -0.46 0.06 1.78 5.36 -0.74 -4.80 117.98 116.14 3mma s PHE 212 Ca 0.59 1.03 0.08 0.00 -0.96 0.00 0.00 56.93 57.68 3mma s PHE 212 Cb -0.15 0.15 -0.03 0.00 -0.34 0.00 0.00 43.02 42.66 3mma s PHE 212 CO 0.55 -0.29 -0.23 0.15 -1.46 0.00 0.00 175.22 173.95 3mma s LYS 213 N 1.33 1.44 -0.06 10.12 1.02 -1.26 -0.41 119.74 131.92 3mma s LYS 213 Ca -0.09 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 54.87 3mma s LYS 213 Cb -0.09 -1.63 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3mma s LYS 213 CO -0.11 0.41 -0.10 0.42 -0.92 0.00 0.00 175.35 175.05 3mma s ILE 214 N -0.88 0.99 -0.01 2.17 1.01 -1.26 -1.81 121.20 121.40 3mma s ILE 214 Ca 0.09 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3mma s ILE 214 Cb -0.09 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3mma s ILE 214 CO 0.03 0.32 -0.09 -0.54 0.00 0.00 0.00 174.94 174.65 3mma s LYS 215 N 0.65 0.79 -0.23 2.79 1.02 -1.09 -2.72 119.74 120.95 3mma s LYS 215 Ca -0.13 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 3mma s LYS 215 Cb -0.15 -0.76 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 3mma s LYS 215 CO 0.03 0.19 -0.03 0.00 -0.92 0.00 0.00 175.35 174.62 3mma s ALA 217 N 1.48 2.71 0.28 0.00 0.00 -0.27 -1.83 121.76 124.14 3mma s ALA 217 Ca 0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3mma s ALA 217 Cb -0.14 -1.24 0.41 0.00 0.00 0.00 0.00 23.12 22.15 3mma s ALA 217 CO -0.03 0.30 1.92 0.78 0.00 0.00 0.00 175.76 178.74 3mma h GLY 218 N 6.45 1.36 -2.24 0.00 0.00 -1.89 0.20 103.07 106.94 3mma h GLY 218 Ca -0.30 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.45 3mma h GLY 218 CO 0.56 0.39 -0.22 0.00 0.00 0.00 0.00 176.54 177.28 3mma n PRO 220 N -0.38 0.00 0.25 0.00 -0.02 -1.20 -1.56 135.00 132.09 3mma n PRO 220 Ca -0.01 0.09 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3mma n PRO 220 Cb 0.63 -1.51 0.65 0.00 -0.02 0.00 0.00 33.50 33.25 3mma n PRO 220 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3mma h ASN 221 N 0.00 0.00 -5.62 2.55 2.35 -1.92 -3.48 115.58 109.45 3mma h ASN 221 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 3mma h ASN 221 Cb 0.02 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.56 3mma h ASN 221 CO 0.00 0.14 -0.87 -0.67 -1.65 0.00 0.00 177.43 174.38 3mma n ASP 222 N -3.47 -6.05 0.00 5.81 4.64 -0.60 -4.89 116.55 111.98 3mma n ASP 222 Ca -0.01 -0.77 0.08 0.00 -1.38 0.00 0.00 54.79 52.72 3mma n ASP 222 Cb 0.30 -4.84 0.44 0.00 -1.04 0.00 0.00 41.12 35.99 3mma n ASP 222 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mma n VAL 224 N -1.24 2.15 -3.93 0.00 0.24 -1.26 -4.90 118.33 109.40 3mma n VAL 224 Ca 0.09 -2.42 -0.32 0.00 -2.04 0.00 0.00 64.34 59.65 3mma n VAL 224 Cb 0.12 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.22 3mma n VAL 224 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mma n ALA 225 N -1.10 -1.19 -0.26 2.33 0.00 -0.69 -4.82 120.51 114.78 3mma n ALA 225 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 3mma n ALA 225 Cb 0.78 -3.24 0.19 0.00 0.00 0.00 0.00 19.45 17.17 3mma n ALA 225 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mma h SER 226 N -1.31 0.96 0.82 0.00 4.64 -1.90 -0.76 113.55 116.00 3mma h SER 226 Ca -0.53 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 3mma h SER 226 Cb 1.34 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3mma h SER 226 CO 0.69 0.73 -0.05 0.07 -0.87 0.00 0.00 176.83 177.39 3mma h LYS 227 N 1.12 0.00 0.00 4.77 2.10 -1.87 -2.71 116.57 119.98 3mma h LYS 227 Ca 0.30 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.63 3mma h LYS 227 Cb -0.08 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.20 3mma h LYS 227 CO -0.06 0.05 -2.17 0.00 -2.00 0.00 0.00 179.45 175.27 3mma n ALA 228 N -2.13 1.57 -0.41 0.07 0.00 -0.98 0.17 120.51 118.81 3mma n ALA 228 Ca -0.00 -1.08 0.08 0.00 0.00 0.00 0.00 53.44 52.44 3mma n ALA 228 Cb 0.29 -0.09 0.25 0.00 0.00 0.00 0.00 19.45 19.90 3mma n ALA 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mma n ARG 229 N -2.72 3.02 -3.70 0.00 1.74 -0.33 -3.20 116.66 111.47 3mma n ARG 229 Ca -0.30 -2.46 -0.14 0.00 -0.77 0.00 0.00 57.85 54.18 3mma n ARG 229 Cb 1.02 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.84 3mma n ARG 229 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mma s SER 230 N -1.09 -0.41 0.49 0.55 1.04 -1.02 -4.90 113.70 108.35 3mma s SER 230 Ca 0.37 0.62 0.21 0.00 0.48 0.00 0.00 55.95 57.63 3mma s SER 230 Cb 0.22 0.68 1.25 0.00 0.10 0.00 0.00 66.02 68.26 3mma s SER 230 CO 0.21 -0.32 2.04 0.44 0.98 0.00 0.00 173.24 176.60 3mma h ASP 231 N 4.57 0.00 -3.01 7.02 5.19 -1.29 -3.05 116.42 125.85 3mma h ASP 231 Ca -0.28 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.56 3mma h ASP 231 Cb 1.17 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.28 3mma h ASP 231 CO 0.30 0.14 -0.78 0.12 -3.12 0.00 0.00 179.24 175.91 3mma s PHE 232 N -4.46 1.22 -0.39 4.55 2.19 -0.75 -0.29 117.98 120.05 3mma s PHE 232 Ca -0.04 -1.65 -0.14 0.00 0.33 0.00 0.00 56.93 55.44 3mma s PHE 232 Cb 0.15 -1.38 0.01 0.00 -1.31 0.00 0.00 43.02 40.49 3mma s PHE 232 CO 0.64 -0.84 0.28 0.00 1.83 0.00 0.00 175.22 177.13 3mma s ALA 233 N 1.36 3.47 -0.58 11.12 0.00 0.03 -2.67 121.76 134.49 3mma s ALA 233 Ca 0.13 -1.62 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 3mma s ALA 233 Cb -0.20 -2.80 0.11 0.00 0.00 0.00 0.00 23.12 20.23 3mma s ALA 233 CO -0.17 -1.31 0.65 0.42 0.00 0.00 0.00 175.76 175.35 3mma s ILE 234 N 1.68 4.94 -0.21 0.00 1.01 -0.71 -0.85 121.20 127.06 3mma s ILE 234 Ca 0.05 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 3mma s ILE 234 Cb -0.19 -4.45 -0.01 0.00 0.01 0.00 0.00 42.46 37.82 3mma s ILE 234 CO 0.10 -1.06 -0.04 -0.63 0.00 0.00 0.00 174.94 173.31 3mma s ILE 235 N 2.35 3.53 0.43 2.92 1.01 -0.21 -1.11 121.20 130.11 3mma s ILE 235 Ca 0.09 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 3mma s ILE 235 Cb -0.26 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.53 3mma s ILE 235 CO 0.05 0.43 1.17 0.61 0.00 0.00 0.00 174.94 177.21 3mma n GLY 236 N 4.50 0.26 3.79 6.18 0.00 0.69 -0.18 105.19 120.43 3mma n GLY 236 Ca -0.18 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3mma n GLY 236 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mma s THR 237 N -1.23 0.00 0.12 2.61 -1.32 -0.12 -3.24 115.64 112.46 3mma s THR 237 Ca 0.63 -1.02 -0.03 0.00 -1.21 0.00 0.00 61.69 60.05 3mma s THR 237 Cb -0.52 -2.95 -0.03 0.00 -1.51 0.00 0.00 72.50 67.49 3mma s THR 237 CO 0.57 0.00 0.10 -1.66 -2.21 0.00 0.00 174.62 171.42 3mma s TRP 238 N -2.18 0.63 -0.15 9.09 -2.14 -1.26 -1.70 118.94 121.23 3mma s TRP 238 Ca 0.16 -1.04 0.03 0.00 2.66 0.00 0.00 56.10 57.91 3mma s TRP 238 Cb -0.05 -0.34 -0.11 0.00 -3.10 0.00 0.00 33.47 29.87 3mma s TRP 238 CO 0.12 -0.53 -0.11 1.63 -2.66 0.00 0.00 176.95 175.40 3mma n LYS 239 N -0.07 0.69 0.00 3.25 5.02 -0.29 -4.99 118.16 121.77 3mma n LYS 239 Ca -0.08 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3mma n LYS 239 Cb 0.63 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3mma n LYS 239 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3mma n ASP 240 N -2.88 0.00 -4.81 4.39 3.85 -1.26 -5.03 116.55 110.81 3mma n ASP 240 Ca -0.27 0.00 -0.36 0.00 -0.71 0.00 0.00 54.79 53.45 3mma n ASP 240 Cb 0.82 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.53 3mma n ASP 240 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 3mma s ASP 241 N -1.00 7.07 0.01 -1.12 1.01 -1.26 -4.70 116.67 116.69 3mma s ASP 241 Ca 0.00 1.43 -0.30 0.00 0.71 0.00 0.00 52.55 54.39 3mma s ASP 241 Cb 0.00 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 41.43 3mma s ASP 241 CO 0.00 0.04 1.82 -0.63 0.21 0.00 0.00 175.17 176.61 3mma s ILE 242 N -1.51 3.20 -0.13 0.77 1.01 -1.26 -3.86 121.20 119.41 3mma s ILE 242 Ca 0.43 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 3mma s ILE 242 Cb -0.17 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 3mma s ILE 242 CO 0.21 -0.02 1.18 -0.54 0.00 0.00 0.00 174.94 175.77 3mma s LYS 243 N 4.04 4.29 -0.21 2.79 1.02 -0.98 -4.90 119.74 125.79 3mma s LYS 243 Ca 0.81 1.59 0.01 0.00 0.02 0.00 0.00 55.97 58.41 3mma s LYS 243 Cb -0.39 -3.65 0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3mma s LYS 243 CO 0.36 -0.57 -0.11 0.08 -0.92 0.00 0.00 175.35 174.19 3mma s VAL 244 N 2.88 1.79 -0.43 3.17 1.01 -1.26 -2.42 120.40 125.13 3mma s VAL 244 Ca 0.53 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 3mma s VAL 244 Cb -0.21 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3mma s VAL 244 CO 0.16 0.15 0.83 -0.62 0.00 0.00 0.00 175.10 175.62 3mma s ASP 245 N 1.32 6.48 0.19 3.32 -1.08 -1.11 -4.96 116.67 120.84 3mma s ASP 245 Ca -0.02 0.08 -0.06 0.00 -0.52 0.00 0.00 52.55 52.02 3mma s ASP 245 Cb -0.17 -2.41 0.12 0.00 -1.46 0.00 0.00 42.92 39.00 3mma s ASP 245 CO -0.08 -0.91 1.59 1.56 0.52 0.00 0.00 175.17 177.85 3mma h GLN 246 N 8.88 0.83 -0.55 4.34 1.08 -1.98 -2.89 115.11 124.82 3mma h GLN 246 Ca -0.24 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.58 3mma h GLN 246 Cb 1.08 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 3mma h GLN 246 CO 0.97 0.99 0.26 1.05 -0.95 0.00 0.00 178.83 181.15 3mma h GLU 247 N 0.72 0.80 -0.72 1.46 4.11 -1.95 -2.54 114.58 116.45 3mma h GLU 247 Ca 0.09 -0.12 0.11 0.00 0.07 0.00 0.00 59.36 59.50 3mma h GLU 247 Cb 0.79 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 3mma h GLU 247 CO 0.07 0.67 0.48 0.00 0.07 0.00 0.00 179.01 180.29 3mma h ALA 248 N 1.10 1.91 -0.37 1.06 0.00 -1.90 -0.27 119.26 120.78 3mma h ALA 248 Ca 0.19 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3mma h ALA 248 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mma h ALA 248 CO -0.02 -0.07 -0.29 0.28 0.00 0.00 0.00 179.25 179.15 3mma h VAL 249 N 0.57 1.28 -0.65 0.00 2.07 -1.36 -2.72 116.25 115.44 3mma h VAL 249 Ca 0.34 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.44 3mma h VAL 249 Cb 0.55 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3mma h VAL 249 CO -0.12 0.48 0.43 0.11 0.02 0.00 0.00 177.57 178.49 3mma h LYS 250 N 0.68 0.80 -0.12 1.57 1.57 -0.69 -0.02 116.57 120.36 3mma h LYS 250 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3mma h LYS 250 Cb 0.83 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3mma h LYS 250 CO 0.07 0.53 -0.14 1.49 -0.57 0.00 0.00 179.45 180.83 3mma h GLU 251 N 0.82 0.19 0.20 3.15 4.57 -1.01 -1.51 114.58 120.99 3mma h GLU 251 Ca 0.25 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3mma h GLU 251 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3mma h GLU 251 CO -0.06 0.34 -0.10 1.88 -1.18 0.00 0.00 179.01 179.88 3mma h TYR 252 N 0.18 -0.25 -0.07 0.92 0.05 -1.03 -3.33 116.97 113.43 3mma h TYR 252 Ca 0.04 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.83 3mma h TYR 252 Cb 0.36 0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 3mma h TYR 252 CO 0.00 -0.16 0.58 0.00 -1.05 0.00 0.00 178.16 177.54 3mma h ALA 253 N -1.11 1.67 -0.62 3.88 0.00 -1.02 0.66 119.26 122.71 3mma h ALA 253 Ca -0.03 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3mma h ALA 253 Cb 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3mma h ALA 253 CO 0.05 -0.62 0.43 0.66 0.00 0.00 0.00 179.25 179.76 3mma h SER 254 N 0.00 0.26 0.00 0.00 4.64 -1.38 -3.37 113.55 113.70 3mma h SER 254 Ca 0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3mma h SER 254 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3mma h SER 254 CO -0.00 0.14 -0.48 -2.67 -0.87 0.00 0.00 176.83 172.95 3mma n TRP 255 N -4.45 0.00 -2.39 4.77 4.27 0.17 -5.11 117.44 114.71 3mma n TRP 255 Ca 0.11 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.35 3mma n TRP 255 Cb 0.49 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.42 3mma n TRP 255 CO 0.00 0.00 0.00 1.41 -2.29 0.00 0.00 177.69 176.81 3mma s MET 256 N -1.48 3.93 -1.26 -2.67 1.75 0.18 -4.97 119.30 114.78 3mma s MET 256 Ca 0.00 1.65 -0.12 0.00 -1.25 0.00 0.00 55.69 55.98 3mma s MET 256 Cb 0.00 -2.46 0.16 0.00 2.84 0.00 0.00 34.83 35.38 3mma s MET 256 CO 0.00 -0.37 1.69 -3.47 -0.65 0.00 0.00 175.02 172.22 3mma n ASP 257 N -0.32 5.11 0.24 1.11 -0.08 -1.26 -4.44 116.55 116.91 3mma n ASP 257 Ca 0.06 -3.04 0.08 0.00 -1.51 0.00 0.00 54.79 50.38 3mma n ASP 257 Cb 0.49 -1.53 0.60 0.00 2.34 0.00 0.00 41.12 43.02 3mma n ASP 257 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3mma h ILE 258 N 4.20 0.93 -0.13 5.18 2.04 -1.94 0.20 117.51 127.99 3mma h ILE 258 Ca 0.37 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3mma h ILE 258 Cb 0.74 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3mma h ILE 258 CO 1.46 0.14 -0.02 -0.08 0.00 0.00 0.00 178.15 179.65 3mma h GLU 259 N 0.00 0.25 0.16 2.37 4.57 -1.93 0.11 114.58 120.11 3mma h GLU 259 Ca -0.00 -0.09 -0.29 0.00 -1.18 0.00 0.00 59.36 57.80 3mma h GLU 259 Cb 0.28 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3mma h GLU 259 CO 0.02 0.52 -1.42 -0.91 -1.18 0.00 0.00 179.01 176.03 3mma h ASN 260 N -0.04 0.55 0.16 1.04 2.35 -1.91 -0.86 115.58 116.86 3mma h ASN 260 Ca 0.04 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 3mma h ASN 260 Cb 0.41 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3mma h ASN 260 CO 0.01 1.65 -0.11 -0.62 -1.65 0.00 0.00 177.43 176.71 3mma n GLU 261 N -3.83 1.11 0.01 0.81 1.02 0.69 -4.26 120.64 116.19 3mma n GLU 261 Ca -0.22 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 3mma n GLU 261 Cb 0.97 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 3mma n GLU 261 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3mma n VAL 262 N -0.46 0.00 0.14 2.62 0.31 -1.04 -4.84 118.33 115.06 3mma n VAL 262 Ca 0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.33 3mma n VAL 262 Cb 0.31 -0.04 -0.09 0.00 -0.91 0.00 0.00 33.84 33.12 3mma n VAL 262 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3mma h VAL 263 N 0.00 0.08 0.00 2.52 2.07 -0.72 -1.68 116.25 118.52 3mma h VAL 263 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3mma h VAL 263 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3mma h VAL 263 CO 0.00 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.70 3mma h LYS 264 N -0.74 0.00 0.00 1.57 1.57 -1.37 -2.74 116.57 114.86 3mma h LYS 264 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mma h LYS 264 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3mma h LYS 264 CO -0.24 0.00 -0.63 1.28 -0.57 0.00 0.00 179.45 179.29 3mma n LEU 265 N -2.74 0.62 -4.68 2.94 4.77 -0.70 -4.87 117.00 112.35 3mma n LEU 265 Ca -0.00 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3mma n LEU 265 Cb 0.19 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3mma n LEU 265 CO 0.21 0.15 1.19 0.00 -1.33 0.00 0.00 177.39 177.62 3mma h PRO 267 N 8.33 0.48 -0.20 0.00 0.13 -1.90 -2.97 132.00 135.87 3mma h PRO 267 Ca -0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3mma h PRO 267 Cb 1.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3mma h PRO 267 CO 0.93 0.32 0.00 0.25 -0.23 0.00 0.00 178.00 179.26 3mma n THR 268 N -4.51 1.23 -1.95 1.56 -2.24 -1.26 -4.99 114.28 102.12 3mma n THR 268 Ca 0.16 -1.21 -0.18 0.00 -2.27 0.00 0.00 64.05 60.55 3mma n THR 268 Cb 0.54 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 3mma n THR 268 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mma n GLY 269 N -0.10 0.67 0.16 3.38 0.00 -1.13 -4.89 105.19 103.29 3mma n GLY 269 Ca 0.09 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3mma n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma h ALA 270 N 0.45 1.00 -3.02 4.61 0.00 -1.85 -3.44 119.26 117.00 3mma h ALA 270 Ca -0.40 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 3mma h ALA 270 Cb 1.26 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.77 3mma h ALA 270 CO 0.53 0.00 -0.73 -1.50 0.00 0.00 0.00 179.25 177.55 3mma s ILE 271 N -3.22 3.33 0.07 0.00 2.07 -1.26 -0.83 121.20 121.36 3mma s ILE 271 Ca 0.08 -0.51 0.09 0.00 -1.41 0.00 0.00 60.65 58.90 3mma s ILE 271 Cb 0.09 -2.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.14 3mma s ILE 271 CO 0.59 0.43 -0.23 -0.54 -1.91 0.00 0.00 174.94 173.29 3mma s LYS 272 N 1.39 1.78 -0.08 3.50 -0.14 0.55 -4.73 119.74 122.01 3mma s LYS 272 Ca 0.05 -1.14 -0.03 0.00 -1.36 0.00 0.00 55.97 53.48 3mma s LYS 272 Cb -0.14 -2.04 0.05 0.00 -1.68 0.00 0.00 37.83 34.02 3mma s LYS 272 CO -0.03 0.50 0.16 -0.46 -0.76 0.00 0.00 175.35 174.76 3mma s TRP 273 N -0.94 -0.18 -1.25 3.18 -0.11 -1.26 -0.62 118.94 117.76 3mma s TRP 273 Ca 0.14 0.59 0.13 0.00 1.22 0.00 0.00 56.10 58.18 3mma s TRP 273 Cb -0.10 -0.24 0.01 0.00 -1.50 0.00 0.00 33.47 31.64 3mma s TRP 273 CO 0.05 -0.26 0.76 -0.40 -4.62 0.00 0.00 176.95 172.49 3mma n ASP 274 N 5.17 1.51 0.00 5.86 5.75 -1.15 -4.96 116.55 128.72 3mma n ASP 274 Ca -0.08 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 3mma n ASP 274 Cb 0.50 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 3mma n ASP 274 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mma n GLY 275 N 0.98 2.13 0.14 6.12 0.00 -1.26 -4.90 105.19 108.39 3mma n GLY 275 Ca 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 3mma n GLY 275 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mma n LYS 276 N 0.00 0.51 -4.40 1.61 4.81 -1.26 -5.03 118.16 114.40 3mma n LYS 276 Ca 0.00 0.20 -0.32 0.00 -0.87 0.00 0.00 58.31 57.33 3mma n LYS 276 Cb 0.00 -1.39 -0.10 0.00 0.02 0.00 0.00 35.03 33.56 3mma n LYS 276 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3mma s GLU 277 N -2.86 2.49 -0.15 1.64 0.41 -1.26 -4.95 118.70 114.02 3mma s GLU 277 Ca -0.28 -0.78 -0.08 0.00 -0.41 0.00 0.00 54.97 53.42 3mma s GLU 277 Cb 0.04 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 3mma s GLU 277 CO 0.41 0.58 0.12 -1.17 -0.49 0.00 0.00 175.26 174.72 3mma s LEU 278 N -1.60 4.25 -0.09 1.80 2.96 -1.26 -2.94 118.68 121.80 3mma s LEU 278 Ca 0.18 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 3mma s LEU 278 Cb -0.11 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3mma s LEU 278 CO 0.09 0.31 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.45 3mma s THR 279 N -0.40 1.02 -0.20 3.68 2.01 0.21 -4.99 115.64 116.97 3mma s THR 279 Ca 0.11 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 3mma s THR 279 Cb -0.12 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3mma s THR 279 CO 0.01 0.35 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.55 3mma s ILE 280 N 1.21 2.84 -0.85 1.82 1.01 -1.26 -0.33 121.20 125.64 3mma s ILE 280 Ca -0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.70 3mma s ILE 280 Cb -0.14 -2.25 0.08 0.00 0.01 0.00 0.00 42.46 40.15 3mma s ILE 280 CO -0.03 0.48 1.20 -0.62 0.00 0.00 0.00 174.94 175.97 3mma s ASP 281 N 1.31 6.40 0.10 3.58 -1.08 -0.01 -4.88 116.67 122.09 3mma s ASP 281 Ca 0.04 -1.34 0.14 0.00 -0.52 0.00 0.00 52.55 50.87 3mma s ASP 281 Cb -0.14 -2.48 0.64 0.00 -1.46 0.00 0.00 42.92 39.48 3mma s ASP 281 CO -0.06 -1.42 1.45 0.59 0.52 0.00 0.00 175.17 176.25 3mma n ASN 282 N 7.98 0.23 0.10 -0.34 3.02 -1.26 -0.64 115.26 124.36 3mma n ASN 282 Ca 0.16 0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 55.24 3mma n ASN 282 Cb 0.49 -0.62 0.10 0.00 -0.61 0.00 0.00 39.78 39.14 3mma n ASN 282 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3mma h ARG 283 N 0.00 0.11 -0.01 3.52 3.08 -1.98 -3.21 114.38 115.89 3mma h ARG 283 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3mma h ARG 283 Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3mma h ARG 283 CO 0.00 0.76 -0.51 0.39 -1.07 0.00 0.00 179.97 179.54 3mma n GLU 284 N -3.76 0.75 -2.44 0.04 -0.58 0.19 -4.94 120.64 109.89 3mma n GLU 284 Ca -0.02 -0.56 -0.41 0.00 -0.42 0.00 0.00 57.16 55.75 3mma n GLU 284 Cb 0.68 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 30.02 3mma n GLU 284 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mma n VAL 286 N 2.19 2.00 -4.13 0.00 0.24 -1.26 -4.99 118.33 112.38 3mma n VAL 286 Ca 0.03 -1.77 -0.28 0.00 -2.04 0.00 0.00 64.34 60.27 3mma n VAL 286 Cb 0.45 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 3mma n VAL 286 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3mma n ARG 287 N -0.47 -2.23 0.22 7.34 1.74 -1.26 -4.84 116.66 117.15 3mma n ARG 287 Ca 0.18 0.26 0.15 0.00 -0.77 0.00 0.00 57.85 57.67 3mma n ARG 287 Cb 0.77 -4.13 0.50 0.00 -1.02 0.00 0.00 32.46 28.57 3mma n ARG 287 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mma n MET 289 N -2.83 0.00 -0.21 0.00 2.81 -1.26 -4.76 117.12 110.87 3mma n MET 289 Ca 0.02 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.90 3mma n MET 289 Cb 0.36 -0.19 0.05 0.00 -0.71 0.00 0.00 33.22 32.73 3mma n MET 289 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3mma h HIS 290 N 0.00 -0.48 -0.64 2.03 -0.00 -1.97 0.52 115.15 114.61 3mma h HIS 290 Ca 0.00 0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 3mma h HIS 290 Cb 0.00 0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.69 3mma h HIS 290 CO 0.00 -0.30 0.19 0.00 -0.00 0.00 0.00 177.93 177.81 3mma h ILE 292 N 0.92 1.26 -0.71 0.00 2.04 -1.58 -0.66 117.51 118.79 3mma h ILE 292 Ca 0.20 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.96 3mma h ILE 292 Cb 0.31 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3mma h ILE 292 CO -0.00 0.40 0.47 0.78 0.00 0.00 0.00 178.15 179.80 3mma h ASN 293 N 0.86 0.76 0.05 1.72 2.35 0.98 -2.57 115.58 119.74 3mma h ASN 293 Ca 0.15 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.65 3mma h ASN 293 Cb 0.55 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.75 3mma h ASN 293 CO 0.03 0.54 -0.93 0.11 -1.65 0.00 0.00 177.43 175.53 3mma h LYS 294 N 0.89 0.64 -2.07 0.81 1.79 0.25 -3.39 116.57 115.48 3mma h LYS 294 Ca 0.27 -0.63 -0.53 0.00 -2.18 0.00 0.00 60.65 57.58 3mma h LYS 294 Cb 0.00 0.16 -0.40 0.00 -1.58 0.00 0.00 32.23 30.41 3mma h LYS 294 CO -0.07 1.23 -1.01 -1.33 -1.08 0.00 0.00 179.45 177.20 3mma n MET 295 N -3.85 1.49 0.12 3.15 2.81 -0.29 -4.96 117.12 115.58 3mma n MET 295 Ca -0.09 -3.76 -0.00 0.00 -1.81 0.00 0.00 57.70 52.05 3mma n MET 295 Cb 0.82 -1.74 0.29 0.00 -0.71 0.00 0.00 33.22 31.89 3mma n MET 295 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3mma h PRO 296 N 3.39 0.19 0.02 0.03 0.13 -1.68 0.43 132.00 134.51 3mma h PRO 296 Ca 0.11 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3mma h PRO 296 Cb 0.83 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3mma h PRO 296 CO 0.59 0.51 -0.06 0.87 -0.23 0.00 0.00 178.00 179.68 3mma h LYS 297 N 0.17 -0.10 0.05 0.86 1.57 -1.93 -3.33 116.57 113.86 3mma h LYS 297 Ca 0.02 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mma h LYS 297 Cb 0.67 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3mma h LYS 297 CO 0.05 -0.07 -0.02 0.00 -0.57 0.00 0.00 179.45 178.84 3mma h ALA 298 N 0.87 -0.07 -3.01 3.86 0.00 -1.45 -3.47 119.26 116.00 3mma h ALA 298 Ca 0.02 -0.29 -0.61 0.00 0.00 0.00 0.00 54.91 54.03 3mma h ALA 298 Cb 0.13 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3mma h ALA 298 CO -0.05 -0.23 -0.61 -0.51 0.00 0.00 0.00 179.25 177.86 3mma s LEU 299 N -8.98 3.68 0.04 0.00 1.02 0.14 -2.74 118.68 111.83 3mma s LEU 299 Ca -0.16 -0.13 -0.10 0.00 0.02 0.00 0.00 54.13 53.77 3mma s LEU 299 Cb 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.88 3mma s LEU 299 CO 0.62 0.13 0.20 -0.54 0.02 0.00 0.00 176.35 176.77 3mma s LYS 300 N -2.70 0.70 0.86 1.70 1.02 -1.02 -4.56 119.74 115.75 3mma s LYS 300 Ca 0.29 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 3mma s LYS 300 Cb -0.11 0.29 0.09 0.00 -0.52 0.00 0.00 37.83 37.58 3mma s LYS 300 CO 0.21 -0.20 1.02 -2.30 -0.92 0.00 0.00 175.35 173.17 3mma n PRO 301 N 0.68 -0.12 -0.87 -1.68 -0.02 -1.26 -2.32 135.00 129.40 3mma n PRO 301 Ca -0.19 0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.04 3mma n PRO 301 Cb 0.59 -2.29 0.23 0.00 -0.02 0.00 0.00 33.50 32.01 3mma n PRO 301 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mma s GLY 302 N -2.25 1.54 0.08 -1.23 0.00 -1.25 -4.35 107.32 99.85 3mma s GLY 302 Ca 0.68 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 3mma s GLY 302 CO 0.56 0.22 1.16 -0.55 0.00 0.00 0.00 173.10 174.49 3mma h ASP 303 N -2.53 0.34 -1.17 1.64 3.32 -1.90 -3.42 116.42 112.70 3mma h ASP 303 Ca -0.52 -0.37 -0.62 0.00 0.02 0.00 0.00 57.03 55.54 3mma h ASP 303 Cb 1.33 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 3mma h ASP 303 CO 0.45 1.29 1.58 -1.61 -1.72 0.00 0.00 179.24 179.23 3mma s GLU 304 N -2.66 3.67 0.26 3.56 2.02 -1.26 -4.98 118.70 119.30 3mma s GLU 304 Ca -0.03 -1.34 0.05 0.00 0.02 0.00 0.00 54.97 53.67 3mma s GLU 304 Cb 0.08 -5.36 -0.03 0.00 0.10 0.00 0.00 34.13 28.92 3mma s GLU 304 CO 0.87 -2.18 0.37 1.03 0.02 0.00 0.00 175.26 175.37 3mma s ARG 305 N 4.65 3.35 0.00 1.61 0.52 -1.26 -1.14 118.95 126.68 3mma s ARG 305 Ca 0.47 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3mma s ARG 305 Cb 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3mma s ARG 305 CO -0.07 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3mma n GLY 306 N -1.44 -0.76 3.30 -3.53 0.00 -0.69 -4.66 105.19 97.41 3mma n GLY 306 Ca -0.07 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 3mma n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma s ALA 307 N -1.00 -0.99 -0.00 4.61 0.00 -0.51 -0.94 121.76 122.93 3mma s ALA 307 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 3mma s ALA 307 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 3mma s ALA 307 CO 0.00 -0.26 0.40 0.99 0.00 0.00 0.00 175.76 176.89 3mma s THR 308 N -0.84 5.05 -0.27 0.00 2.01 0.75 -1.50 115.64 120.85 3mma s THR 308 Ca -0.09 0.79 -0.07 0.00 0.31 0.00 0.00 61.69 62.63 3mma s THR 308 Cb -0.04 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 3mma s THR 308 CO 0.04 0.57 0.06 -0.63 -0.69 0.00 0.00 174.62 173.96 3mma s ILE 309 N -1.10 4.01 -0.27 1.82 1.01 0.25 -1.05 121.20 125.87 3mma s ILE 309 Ca 0.24 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 3mma s ILE 309 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 3mma s ILE 309 CO 0.13 0.22 0.23 -0.76 0.00 0.00 0.00 174.94 174.76 3mma s LEU 310 N 1.54 4.03 -0.02 2.97 1.02 -0.03 -0.38 118.68 127.82 3mma s LEU 310 Ca 0.04 0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.21 3mma s LEU 310 Cb -0.16 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 43.82 3mma s LEU 310 CO 0.02 -0.07 0.22 -0.51 0.02 0.00 0.00 176.35 176.03 3mma s ILE 311 N 1.78 5.38 0.00 -0.59 1.10 0.95 -0.79 121.20 129.04 3mma s ILE 311 Ca 0.09 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.29 3mma s ILE 311 Cb -0.16 -3.53 0.00 0.00 0.15 0.00 0.00 42.46 38.92 3mma s ILE 311 CO 0.10 0.39 0.00 0.61 -2.11 0.00 0.00 174.94 173.93 3mma n GLY 312 N 1.18 2.42 3.31 1.50 0.00 0.60 -0.77 105.19 113.43 3mma n GLY 312 Ca -0.12 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.32 3mma n GLY 312 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mma n GLY 313 N -0.61 -0.10 3.47 -0.02 0.00 -1.15 -4.45 105.19 102.33 3mma n GLY 313 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 3mma n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mma s LYS 314 N 1.01 1.02 0.97 1.61 -2.85 -0.47 -2.92 119.74 118.11 3mma s LYS 314 Ca 0.89 -0.29 -0.12 0.00 -1.00 0.00 0.00 55.97 55.44 3mma s LYS 314 Cb -1.25 0.47 0.17 0.00 -2.06 0.00 0.00 37.83 35.16 3mma s LYS 314 CO 0.61 -0.43 1.09 0.00 0.10 0.00 0.00 175.35 176.72 3mma s ALA 315 N -3.08 1.12 0.45 0.59 0.00 -1.26 -1.12 121.76 118.46 3mma s ALA 315 Ca 0.01 -0.27 0.40 0.00 0.00 0.00 0.00 51.96 52.11 3mma s ALA 315 Cb -0.01 -3.14 2.08 0.00 0.00 0.00 0.00 23.12 22.06 3mma s ALA 315 CO -0.08 -2.70 2.22 -1.35 0.00 0.00 0.00 175.76 173.85 3mma h PRO 316 N -1.80 0.00 -7.03 0.00 0.11 -1.92 -3.39 132.00 117.98 3mma h PRO 316 Ca -0.53 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.03 3mma h PRO 316 Cb 1.32 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.55 3mma h PRO 316 CO 0.57 0.00 0.64 -0.06 -0.21 0.00 0.00 178.00 178.93 3mma s PHE 317 N -3.98 2.36 0.00 0.65 0.08 -1.26 -0.14 117.98 115.69 3mma s PHE 317 Ca -0.03 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.35 3mma s PHE 317 Cb 0.12 -3.83 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 3mma s PHE 317 CO 0.42 -2.88 0.00 0.28 -0.10 0.00 0.00 175.22 172.94 3mma n VAL 318 N -0.71 0.00 1.90 -0.44 0.31 -1.26 -4.35 118.33 113.78 3mma n VAL 318 Ca 0.08 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.57 3mma n VAL 318 Cb 0.44 0.00 0.91 0.00 -0.91 0.00 0.00 33.84 34.28 3mma n VAL 318 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mma n GLU 319 N 0.00 0.95 0.00 5.55 1.02 -1.25 -4.95 120.64 121.96 3mma n GLU 319 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3mma n GLU 319 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3mma n GLU 319 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mma n GLY 320 N 1.05 3.60 3.76 0.62 0.00 0.80 -5.08 105.19 109.93 3mma n GLY 320 Ca 0.22 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 3mma n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma s ALA 321 N -2.40 3.40 -0.08 4.61 0.00 -1.25 -4.51 121.76 121.54 3mma s ALA 321 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.90 3mma s ALA 321 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3mma s ALA 321 CO 0.00 -0.21 -0.10 0.08 0.00 0.00 0.00 175.76 175.53 3mma s VAL 322 N -1.18 1.07 -0.21 0.00 1.01 -0.28 -4.93 120.40 115.88 3mma s VAL 322 Ca 0.45 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 3mma s VAL 322 Cb -0.32 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3mma s VAL 322 CO 0.42 0.36 0.55 -0.63 0.00 0.00 0.00 175.10 175.79 3mma s ILE 323 N 1.08 5.07 0.41 2.22 1.01 -1.26 -1.37 121.20 128.36 3mma s ILE 323 Ca -0.07 1.00 -0.23 0.00 0.00 0.00 0.00 60.65 61.35 3mma s ILE 323 Cb -0.14 -3.87 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 3mma s ILE 323 CO -0.01 0.14 0.64 0.61 0.00 0.00 0.00 174.94 176.31 3mma n GLY 324 N 3.98 -1.25 3.83 6.18 0.00 0.13 -4.69 105.19 113.37 3mma n GLY 324 Ca -0.04 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3mma n GLY 324 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3mma s TRP 325 N -1.41 2.69 -0.01 1.61 -2.14 0.05 -4.71 118.94 115.02 3mma s TRP 325 Ca 0.63 -0.50 -0.30 0.00 2.66 0.00 0.00 56.10 58.59 3mma s TRP 325 Cb -0.61 -2.08 -0.06 0.00 -3.10 0.00 0.00 33.47 27.63 3mma s TRP 325 CO 0.58 -0.01 1.53 0.08 -2.66 0.00 0.00 176.95 176.47 3mma s VAL 326 N -2.49 3.55 -0.11 -0.66 1.01 -1.26 -0.03 120.40 120.40 3mma s VAL 326 Ca 0.46 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 3mma s VAL 326 Cb -0.01 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3mma s VAL 326 CO 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.22 3mma n ALA 327 N 6.07 1.97 -3.81 5.51 0.00 0.49 -4.69 120.51 126.06 3mma n ALA 327 Ca 0.15 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 3mma n ALA 327 Cb 0.43 0.30 -0.16 0.00 0.00 0.00 0.00 19.45 20.02 3mma n ALA 327 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mma s VAL 328 N -2.21 0.94 0.15 0.00 1.01 -1.06 -5.00 120.40 114.24 3mma s VAL 328 Ca -0.15 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 3mma s VAL 328 Cb 0.05 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 35.03 3mma s VAL 328 CO 0.22 -0.26 1.73 -0.65 0.00 0.00 0.00 175.10 176.14 3mma h PRO 329 N 8.11 0.19 -3.44 2.72 0.11 -1.88 0.74 132.00 138.55 3mma h PRO 329 Ca -0.16 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.70 3mma h PRO 329 Cb 1.08 -0.04 -0.30 0.00 0.11 0.00 0.00 31.00 31.85 3mma h PRO 329 CO 0.39 0.13 -0.64 0.12 -0.21 0.00 0.00 178.00 177.79 3mma s PHE 330 N -6.17 -0.09 -0.04 0.65 5.36 -1.26 -3.88 117.98 112.56 3mma s PHE 330 Ca -0.13 0.28 -0.07 0.00 -0.96 0.00 0.00 56.93 56.05 3mma s PHE 330 Cb 0.12 -0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.75 3mma s PHE 330 CO 0.71 -0.09 0.17 0.54 -1.46 0.00 0.00 175.22 175.09 3mma s VAL 331 N 0.62 0.03 0.34 3.12 0.11 -0.56 -4.97 120.40 119.09 3mma s VAL 331 Ca -0.05 -0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 3mma s VAL 331 Cb -0.07 -0.33 -0.09 0.00 -1.53 0.00 0.00 36.38 34.36 3mma s VAL 331 CO -0.03 -0.14 1.06 -1.61 -3.33 0.00 0.00 175.10 171.05 3mma s GLU 332 N -0.45 4.41 -0.61 1.54 8.01 -1.26 -1.42 118.70 128.93 3mma s GLU 332 Ca -0.05 1.61 -0.03 0.00 0.01 0.00 0.00 54.97 56.51 3mma s GLU 332 Cb -0.04 -2.85 0.16 0.00 -4.31 0.00 0.00 34.13 27.09 3mma s GLU 332 CO 0.01 0.06 0.42 0.08 0.01 0.00 0.00 175.26 175.83 3mma s VAL 333 N -1.43 3.67 -0.02 2.63 1.01 -1.26 -4.76 120.40 120.23 3mma s VAL 333 Ca 0.51 -2.88 0.01 0.00 0.00 0.00 0.00 61.98 59.61 3mma s VAL 333 Cb -0.26 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3mma s VAL 333 CO 0.33 -0.86 -0.01 -1.61 0.00 0.00 0.00 175.10 172.95 3mma s GLU 334 N 0.04 0.26 0.32 2.72 2.02 -1.26 -4.87 118.70 117.93 3mma s GLU 334 Ca 0.16 0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.88 3mma s GLU 334 Cb -0.20 -0.38 -0.12 0.00 0.10 0.00 0.00 34.13 33.53 3mma s GLU 334 CO -0.03 -0.07 1.47 1.17 0.02 0.00 0.00 175.26 177.82 3mma n LYS 335 N 3.74 2.47 -0.48 1.61 4.81 -1.26 0.38 118.16 129.43 3mma n LYS 335 Ca -0.22 0.87 0.02 0.00 -0.87 0.00 0.00 58.31 58.11 3mma n LYS 335 Cb 0.53 -2.58 0.20 0.00 0.02 0.00 0.00 35.03 33.20 3mma n LYS 335 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3mma n PRO 336 N 1.31 2.90 -2.90 1.64 -0.04 -1.26 -4.95 135.00 131.70 3mma n PRO 336 Ca 0.06 -1.62 -0.13 0.00 -0.04 0.00 0.00 63.50 61.77 3mma n PRO 336 Cb 0.36 -1.87 0.03 0.00 -0.04 0.00 0.00 33.50 31.98 3mma n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mma n TYR 337 N 0.26 -1.37 -0.05 0.54 4.02 0.16 -4.93 117.16 115.80 3mma n TYR 337 Ca 0.16 0.43 0.05 0.00 -0.01 0.00 0.00 57.90 58.53 3mma n TYR 337 Cb 0.78 -3.13 0.41 0.00 -0.02 0.00 0.00 39.34 37.38 3mma n TYR 337 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3mma h ASP 338 N -1.16 0.51 -0.06 7.72 3.32 -1.93 -0.80 116.42 124.03 3mma h ASP 338 Ca -0.31 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 3mma h ASP 338 Cb 1.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3mma h ASP 338 CO 0.32 0.36 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.75 3mma h GLU 339 N 0.60 0.56 0.05 3.56 4.81 -1.92 -0.31 114.58 121.93 3mma h GLU 339 Ca 0.19 -0.27 -0.28 0.00 -0.13 0.00 0.00 59.36 58.88 3mma h GLU 339 Cb 0.04 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.44 3mma h GLU 339 CO -0.05 0.85 -1.12 0.82 -0.73 0.00 0.00 179.01 178.78 3mma h ILE 340 N 0.47 1.30 -0.28 2.32 2.04 -1.68 -3.10 117.51 118.57 3mma h ILE 340 Ca 0.05 -2.37 -0.02 0.00 1.00 0.00 0.00 64.86 63.52 3mma h ILE 340 Cb 0.86 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3mma h ILE 340 CO 0.07 0.72 0.09 0.11 0.00 0.00 0.00 178.15 179.14 3mma h LYS 341 N 0.33 0.44 -0.91 2.37 1.57 -1.10 -1.72 116.57 117.55 3mma h LYS 341 Ca -0.15 -0.10 0.16 0.00 -1.87 0.00 0.00 60.65 58.70 3mma h LYS 341 Cb 1.78 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.93 3mma h LYS 341 CO 0.21 0.50 0.50 1.49 -0.57 0.00 0.00 179.45 181.59 3mma h GLU 342 N 0.29 0.66 0.32 3.15 4.81 -1.14 -0.87 114.58 121.79 3mma h GLU 342 Ca 0.09 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3mma h GLU 342 Cb 0.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3mma h GLU 342 CO -0.00 0.44 -0.15 0.82 -0.73 0.00 0.00 179.01 179.38 3mma h ILE 343 N 0.68 0.69 -0.44 2.32 2.04 -1.41 -2.70 117.51 118.68 3mma h ILE 343 Ca 0.51 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3mma h ILE 343 Cb 0.75 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3mma h ILE 343 CO -0.37 0.10 0.15 -0.07 0.00 0.00 0.00 178.15 177.95 3mma h LEU 344 N -0.71 0.14 -0.68 1.44 3.38 -0.73 -1.81 115.31 116.33 3mma h LEU 344 Ca -0.04 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3mma h LEU 344 Cb 0.49 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3mma h LEU 344 CO 0.07 0.11 0.31 -0.33 0.09 0.00 0.00 178.44 178.70 3mma h GLU 345 N 0.31 0.99 -0.56 1.13 5.08 -1.26 -1.33 114.58 118.95 3mma h GLU 345 Ca 0.21 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3mma h GLU 345 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3mma h GLU 345 CO -0.22 0.80 0.28 0.00 -1.00 0.00 0.00 179.01 178.86 3mma h ALA 346 N 1.14 0.72 -0.69 3.43 0.00 -1.08 0.33 119.26 123.11 3mma h ALA 346 Ca 0.23 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3mma h ALA 346 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3mma h ALA 346 CO -0.03 0.27 0.44 0.82 0.00 0.00 0.00 179.25 180.75 3mma h ILE 347 N 0.75 1.12 -0.32 0.00 2.04 -1.19 -2.45 117.51 117.47 3mma h ILE 347 Ca 0.19 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 3mma h ILE 347 Cb 0.10 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3mma h ILE 347 CO -0.03 0.16 -0.45 -0.50 0.00 0.00 0.00 178.15 177.34 3mma h TRP 348 N 0.87 1.06 -0.59 1.37 6.55 -0.61 0.41 115.95 125.01 3mma h TRP 348 Ca 0.27 -0.35 0.04 0.00 0.95 0.00 0.00 58.89 59.79 3mma h TRP 348 Cb -0.03 -0.21 -0.04 0.00 -0.86 0.00 0.00 29.16 28.02 3mma h TRP 348 CO -0.04 1.17 0.34 -0.44 -1.05 0.00 0.00 178.44 178.42 3mma h ASP 349 N 0.66 0.52 -0.24 -3.49 3.32 -0.94 -0.51 116.42 115.73 3mma h ASP 349 Ca 0.03 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 3mma h ASP 349 Cb 1.05 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 3mma h ASP 349 CO 0.10 0.36 -0.30 -0.25 -1.72 0.00 0.00 179.24 177.43 3mma h TRP 350 N 0.65 0.77 -0.10 4.55 7.01 -1.30 -2.23 115.95 125.32 3mma h TRP 350 Ca 0.25 -0.25 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 3mma h TRP 350 Cb 0.09 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 3mma h TRP 350 CO -0.07 0.98 -0.45 2.35 -2.79 0.00 0.00 178.44 178.46 3mma h TRP 351 N 0.35 0.27 -0.16 2.65 7.01 -0.83 -0.37 115.95 124.86 3mma h TRP 351 Ca 0.03 -0.08 -0.18 0.00 2.11 0.00 0.00 58.89 60.77 3mma h TRP 351 Cb 0.87 -0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.88 3mma h TRP 351 CO 0.08 0.64 -0.61 0.22 -2.79 0.00 0.00 178.44 175.97 3mma h ASP 352 N 0.18 0.82 0.15 2.65 3.58 -1.08 0.98 116.42 123.71 3mma h ASP 352 Ca 0.01 -0.61 -0.13 0.00 0.42 0.00 0.00 57.03 56.72 3mma h ASP 352 Cb 0.86 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 3mma h ASP 352 CO 0.07 1.29 -0.47 -0.08 -2.88 0.00 0.00 179.24 177.16 3mma h GLU 353 N 0.40 0.39 0.00 0.28 4.57 -1.25 -3.37 114.58 115.59 3mma h GLU 353 Ca -0.03 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 3mma h GLU 353 Cb 1.24 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3mma h GLU 353 CO 0.13 0.78 -1.32 0.39 -1.18 0.00 0.00 179.01 177.81 3mma n GLU 354 N -3.98 0.61 -2.19 1.92 -0.58 -0.16 -5.03 120.64 111.23 3mma n GLU 354 Ca -0.02 -0.05 -0.41 0.00 -0.42 0.00 0.00 57.16 56.25 3mma n GLU 354 Cb 0.54 -1.16 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 3mma n GLU 354 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3mma s GLY 355 N -2.91 2.35 0.92 0.62 0.00 0.34 -5.03 107.32 103.62 3mma s GLY 355 Ca -0.03 1.13 -0.12 0.00 0.00 0.00 0.00 44.72 45.71 3mma s GLY 355 CO 0.27 2.15 1.09 0.54 0.00 0.00 0.00 173.10 177.15 3mma s LYS 356 N 0.10 1.02 0.06 2.90 1.02 -1.26 -4.89 119.74 118.69 3mma s LYS 356 Ca 0.58 0.84 -0.32 0.00 0.02 0.00 0.00 55.97 57.10 3mma s LYS 356 Cb -0.37 -1.78 -0.11 0.00 -0.52 0.00 0.00 37.83 35.05 3mma s LYS 356 CO 0.37 -2.41 1.87 0.34 -0.92 0.00 0.00 175.35 174.60 3mma n PHE 357 N -4.00 2.51 -3.49 3.18 7.35 -1.26 -2.51 117.46 119.23 3mma n PHE 357 Ca 0.07 -0.15 -0.22 0.00 -0.76 0.00 0.00 57.45 56.39 3mma n PHE 357 Cb 0.55 -2.72 0.07 0.00 0.35 0.00 0.00 39.48 37.73 3mma n PHE 357 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3mma n ARG 358 N 6.19 -7.21 -3.81 -4.13 1.74 -0.10 -5.02 116.66 104.32 3mma n ARG 358 Ca 0.19 0.75 -0.36 0.00 -0.77 0.00 0.00 57.85 57.66 3mma n ARG 358 Cb 0.36 -5.55 -0.13 0.00 -1.02 0.00 0.00 32.46 26.12 3mma n ARG 358 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3mma s GLU 359 N -6.18 3.51 0.57 5.56 2.12 -1.04 -4.98 118.70 118.26 3mma s GLU 359 Ca 0.53 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 55.12 3mma s GLU 359 Cb -0.23 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 3mma s GLU 359 CO 0.66 -0.21 1.10 1.03 -0.54 0.00 0.00 175.26 177.29 3mma s ARG 360 N 1.56 3.29 0.30 4.30 1.81 -1.26 -4.54 118.95 124.41 3mma s ARG 360 Ca 0.06 1.44 0.05 0.00 -1.72 0.00 0.00 55.73 55.56 3mma s ARG 360 Cb -0.15 -2.01 0.71 0.00 -0.45 0.00 0.00 34.95 33.05 3mma s ARG 360 CO 0.01 -0.87 1.79 0.97 -0.68 0.00 0.00 175.30 176.52 3mma h ILE 361 N 0.84 0.74 -0.33 1.52 6.09 -1.92 0.19 117.51 124.64 3mma h ILE 361 Ca -0.49 -0.28 -0.07 0.00 -1.37 0.00 0.00 64.86 62.66 3mma h ILE 361 Cb 1.24 -0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.38 3mma h ILE 361 CO 0.57 0.15 -0.07 1.23 -3.07 0.00 0.00 178.15 176.95 3mma h GLY 362 N 0.81 0.58 1.59 8.18 0.00 -1.92 -1.21 103.07 111.10 3mma h GLY 362 Ca 0.57 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 3mma h GLY 362 CO -0.36 0.36 -0.66 0.83 0.00 0.00 0.00 176.54 176.70 3mma h GLU 363 N 0.51 0.41 -0.11 4.80 5.08 -1.35 -2.29 114.58 121.63 3mma h GLU 363 Ca 0.10 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3mma h GLU 363 Cb 0.44 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3mma h GLU 363 CO 0.02 0.93 0.05 1.25 -1.00 0.00 0.00 179.01 180.27 3mma h LEU 364 N 0.30 0.15 -0.75 1.33 5.85 -0.72 0.31 115.31 121.77 3mma h LEU 364 Ca -0.02 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3mma h LEU 364 Cb 1.22 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 3mma h LEU 364 CO 0.11 0.24 0.45 0.40 -0.34 0.00 0.00 178.44 179.31 3mma h ILE 365 N 0.04 1.03 -0.78 4.05 2.04 -1.23 0.49 117.51 123.15 3mma h ILE 365 Ca 0.04 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3mma h ILE 365 Cb 0.13 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 3mma h ILE 365 CO -0.00 0.15 0.49 -0.50 0.00 0.00 0.00 178.15 178.29 3mma h TRP 366 N 0.84 0.92 -0.14 1.37 4.06 -1.13 1.06 115.95 122.93 3mma h TRP 366 Ca 0.33 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 61.19 3mma h TRP 366 Cb 0.14 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 3mma h TRP 366 CO -0.05 0.52 -0.35 -0.09 -3.56 0.00 0.00 178.44 174.91 3mma h ARG 367 N 0.95 0.49 0.02 0.49 2.43 0.00 -3.36 114.38 115.40 3mma h ARG 367 Ca 0.31 -0.34 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 3mma h ARG 367 Cb 0.03 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3mma h ARG 367 CO -0.12 0.95 -1.66 0.87 -1.51 0.00 0.00 179.97 178.51 3mma h LYS 368 N 0.10 0.03 0.00 0.20 1.79 0.17 -3.51 116.57 115.36 3mma h LYS 368 Ca -0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3mma h LYS 368 Cb 0.96 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3mma h LYS 368 CO 0.08 0.63 0.00 0.41 -1.08 0.00 0.00 179.45 179.49 3mma n GLY 369 N 1.58 1.92 0.28 3.86 0.00 0.36 -4.59 105.19 108.59 3mma n GLY 369 Ca -0.16 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.28 3mma n GLY 369 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3mma h MET 370 N 0.00 0.00 0.20 1.61 2.86 -1.95 -2.63 114.93 115.02 3mma h MET 370 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3mma h MET 370 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3mma h MET 370 CO 0.00 0.01 -0.11 -0.09 1.06 0.00 0.00 176.91 177.78 3mma h ARG 371 N 0.00 -0.28 -0.37 1.72 2.43 -1.95 0.16 114.38 116.08 3mma h ARG 371 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3mma h ARG 371 Cb 0.03 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3mma h ARG 371 CO 0.00 -0.19 0.20 1.49 -1.51 0.00 0.00 179.97 179.96 3mma h GLU 372 N -0.29 0.52 -1.00 0.20 4.81 -1.75 -2.12 114.58 114.95 3mma h GLU 372 Ca -0.02 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3mma h GLU 372 Cb 0.24 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3mma h GLU 372 CO 0.03 0.44 0.65 0.35 -0.73 0.00 0.00 179.01 179.74 3mma h PHE 373 N 0.47 1.20 -0.17 0.92 3.57 -1.25 -1.37 116.94 120.30 3mma h PHE 373 Ca 0.13 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 3mma h PHE 373 Cb 0.07 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3mma h PHE 373 CO -0.02 0.63 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.95 3mma h LEU 374 N 1.18 0.78 -0.88 0.59 3.38 -0.42 -2.48 115.31 117.45 3mma h LEU 374 Ca 0.43 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3mma h LEU 374 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3mma h LEU 374 CO -0.16 1.24 -0.34 0.11 0.09 0.00 0.00 178.44 179.37 3mma h LYS 375 N 0.49 0.41 -0.45 1.13 6.56 -1.05 0.37 116.57 124.02 3mma h LYS 375 Ca -0.02 -0.18 0.01 0.00 -1.06 0.00 0.00 60.65 59.40 3mma h LYS 375 Cb 1.26 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.88 3mma h LYS 375 CO 0.13 0.71 0.29 0.28 -2.06 0.00 0.00 179.45 178.80 3mma h VAL 376 N 0.35 1.09 -0.01 0.50 2.07 -1.17 -2.48 116.25 116.61 3mma h VAL 376 Ca 0.04 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3mma h VAL 376 Cb 0.77 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3mma h VAL 376 CO 0.06 0.11 -0.11 2.30 0.02 0.00 0.00 177.57 179.95 3mma n ILE 377 N -4.79 0.00 -3.20 4.57 -5.35 -0.94 -4.76 119.36 104.88 3mma n ILE 377 Ca 0.02 -0.11 -0.15 0.00 -0.27 0.00 0.00 62.75 62.23 3mma n ILE 377 Cb 0.04 0.12 0.05 0.00 -1.74 0.00 0.00 39.64 38.11 3mma n ILE 377 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mma n GLY 378 N 1.24 -0.05 3.30 3.28 0.00 0.10 -4.94 105.19 108.12 3mma n GLY 378 Ca 0.16 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3mma n GLY 378 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mma s ARG 379 N -5.78 1.18 0.35 1.61 0.52 0.40 -5.00 118.95 112.23 3mma s ARG 379 Ca 0.35 -1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 54.01 3mma s ARG 379 Cb -0.16 -1.17 -0.10 0.00 0.52 0.00 0.00 34.95 34.05 3mma s ARG 379 CO 0.48 0.23 0.87 -1.21 0.02 0.00 0.00 175.30 175.69 3mma s GLU 380 N -2.75 4.25 0.38 3.54 0.41 -1.26 -4.36 118.70 118.91 3mma s GLU 380 Ca 0.13 1.02 -0.28 0.00 -0.41 0.00 0.00 54.97 55.44 3mma s GLU 380 Cb -0.05 -2.46 -0.10 0.00 -1.78 0.00 0.00 34.13 29.73 3mma s GLU 380 CO 0.05 0.14 1.43 0.00 -0.49 0.00 0.00 175.26 176.39 3mma s ALA 381 N -1.93 3.48 -0.04 5.21 0.00 -1.26 -5.02 121.76 122.21 3mma s ALA 381 Ca 0.55 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 3mma s ALA 381 Cb -0.12 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.46 3mma s ALA 381 CO 0.17 -0.98 0.07 0.34 0.00 0.00 0.00 175.76 175.36 3mma s ASP 382 N -0.32 -0.00 0.58 0.00 -1.08 -1.26 -5.04 116.67 109.55 3mma s ASP 382 Ca 0.54 0.14 0.31 0.00 -0.52 0.00 0.00 52.55 53.01 3mma s ASP 382 Cb -0.44 0.04 1.43 0.00 -1.46 0.00 0.00 42.92 42.48 3mma s ASP 382 CO 0.59 -0.13 1.80 1.62 0.52 0.00 0.00 175.17 179.58 3mma h VAL 383 N 6.11 0.35 0.00 1.11 3.04 -1.95 0.14 116.25 125.05 3mma h VAL 383 Ca -0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3mma h VAL 383 Cb 1.13 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3mma h VAL 383 CO 0.46 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.56 3mma n ARG 384 N -3.82 0.15 0.19 4.17 1.74 -1.26 -2.28 116.66 115.55 3mma n ARG 384 Ca 0.15 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 3mma n ARG 384 Cb 0.94 -1.85 0.38 0.00 -1.02 0.00 0.00 32.46 30.91 3mma n ARG 384 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3mma h MET 385 N 0.00 0.00 -6.28 5.56 2.86 -0.98 -3.45 114.93 112.64 3mma h MET 385 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 3mma h MET 385 Cb 0.20 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 31.67 3mma h MET 385 CO 0.00 0.00 -0.82 0.14 1.06 0.00 0.00 176.91 177.29 3mma s VAL 386 N -3.29 1.97 -0.16 -2.22 -7.23 -0.97 -4.44 120.40 104.05 3mma s VAL 386 Ca 0.06 -1.82 0.22 0.00 -1.81 0.00 0.00 61.98 58.64 3mma s VAL 386 Cb 0.08 -1.85 0.25 0.00 0.56 0.00 0.00 36.38 35.42 3mma s VAL 386 CO 0.59 -0.14 1.66 0.50 -0.31 0.00 0.00 175.10 177.40 3mma h LYS 387 N 3.56 0.00 -1.54 4.82 3.64 -1.88 -3.47 116.57 121.70 3mma h LYS 387 Ca -0.45 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 3mma h LYS 387 Cb 1.19 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.77 3mma h LYS 387 CO 0.45 0.19 0.54 0.00 -2.27 0.00 0.00 179.45 178.36 3mma s ALA 388 N -3.30 -1.96 0.95 5.00 0.00 -1.26 -5.16 121.76 116.03 3mma s ALA 388 Ca 0.04 1.69 -0.10 0.00 0.00 0.00 0.00 51.96 53.59 3mma s ALA 388 Cb 0.07 -1.00 0.17 0.00 0.00 0.00 0.00 23.12 22.36 3mma s ALA 388 CO 0.67 -0.28 1.13 -2.14 0.00 0.00 0.00 175.76 175.14 3mma s PRO 389 N -0.65 0.72 0.46 0.00 0.02 -1.26 -4.92 135.00 129.38 3mma s PRO 389 Ca 0.00 1.46 -0.23 0.00 0.02 0.00 0.00 61.00 62.25 3mma s PRO 389 Cb -0.02 -1.70 -0.09 0.00 0.02 0.00 0.00 34.50 32.71 3mma s PRO 389 CO -0.02 -2.80 1.11 2.89 -0.33 0.00 0.00 177.00 177.85 3mma n ARG 390 N -4.35 1.48 -0.82 5.54 1.85 -1.26 -4.93 116.66 114.18 3mma n ARG 390 Ca 0.11 0.54 -0.01 0.00 -1.00 0.00 0.00 57.85 57.48 3mma n ARG 390 Cb 0.52 -2.21 0.29 0.00 -1.05 0.00 0.00 32.46 30.01 3mma n ARG 390 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mma n ASN 391 N 0.09 4.60 -3.58 2.89 6.94 -1.26 -4.90 115.26 120.03 3mma n ASN 391 Ca 0.09 -2.92 -0.13 0.00 -0.02 0.00 0.00 54.58 51.60 3mma n ASN 391 Cb 0.41 -0.69 -0.05 0.00 -2.36 0.00 0.00 39.78 37.09 3mma n ASN 391 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3mma s ASN 392 N -0.71 -0.42 -0.11 0.53 2.20 -1.26 -5.06 114.94 110.10 3mma s ASN 392 Ca 0.46 0.12 0.11 0.00 -0.94 0.00 0.00 52.86 52.61 3mma s ASN 392 Cb 0.36 0.49 0.52 0.00 -2.00 0.00 0.00 41.25 40.62 3mma s ASN 392 CO 0.12 -0.74 1.35 -0.81 -2.94 0.00 0.00 177.10 174.09 3mma n PRO 393 N 0.33 3.22 -1.59 3.55 -0.04 -1.26 -4.73 135.00 134.48 3mma n PRO 393 Ca -0.18 -2.04 -0.40 0.00 -0.04 0.00 0.00 63.50 60.84 3mma n PRO 393 Cb 0.61 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3mma n PRO 393 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3mma n PHE 394 N 0.58 2.57 -3.01 0.54 3.01 -1.26 -4.94 117.46 114.95 3mma n PHE 394 Ca 0.18 -2.99 -0.39 0.00 1.01 0.00 0.00 57.45 55.26 3mma n PHE 394 Cb 0.76 -2.27 -0.06 0.00 -0.01 0.00 0.00 39.48 37.90 3mma n PHE 394 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3mma s MET 395 N 1.12 4.50 0.08 -1.08 -1.94 -1.26 -5.06 119.30 115.65 3mma s MET 395 Ca 0.62 1.07 -0.28 0.00 -1.71 0.00 0.00 55.69 55.39 3mma s MET 395 Cb 0.18 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 3mma s MET 395 CO -0.07 0.47 0.90 -0.06 -0.01 0.00 0.00 175.02 176.24 3mma s PHE 396 N -0.72 3.77 -0.05 -0.03 0.40 -1.26 -5.08 117.98 115.01 3mma s PHE 396 Ca 0.36 1.68 0.03 0.00 -0.60 0.00 0.00 56.93 58.40 3mma s PHE 396 Cb -0.22 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 3mma s PHE 396 CO 0.24 0.20 -0.14 -0.06 0.70 0.00 0.00 175.22 176.17 3mma s PHE 397 N 0.10 2.72 0.35 0.36 0.40 -1.26 -5.12 117.98 115.54 3mma s PHE 397 Ca 0.45 -0.15 -0.26 0.00 -0.60 0.00 0.00 56.93 56.37 3mma s PHE 397 Cb -0.22 -1.64 -0.09 0.00 0.51 0.00 0.00 43.02 41.58 3mma s PHE 397 CO 0.27 0.19 1.03 -1.21 0.70 0.00 0.00 175.22 176.20 3mma s GLU 398 N -0.72 4.38 0.25 0.44 2.02 -1.26 -4.95 118.70 118.86 3mma s GLU 398 Ca 0.11 1.51 -0.12 0.00 0.02 0.00 0.00 54.97 56.50 3mma s GLU 398 Cb -0.11 -2.75 0.34 0.00 0.10 0.00 0.00 34.13 31.71 3mma s GLU 398 CO 0.01 0.05 1.58 0.87 0.02 0.00 0.00 175.26 177.79 3mma h LYS 399 N 2.96 -0.02 0.00 1.61 1.57 -1.99 0.99 116.57 121.69 3mma h LYS 399 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3mma h LYS 399 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3mma h LYS 399 CO 0.64 -0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.11 3mma n ASP 400 N -5.54 0.00 -0.01 0.86 5.75 -1.26 -2.19 116.55 114.16 3mma n ASP 400 Ca 0.12 0.31 0.13 0.00 -0.01 0.00 0.00 54.79 55.34 3mma n ASP 400 Cb 0.43 -0.41 0.48 0.00 -1.03 0.00 0.00 41.12 40.58 3mma n ASP 400 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3mma n GLU 401 N -1.41 0.07 -3.29 0.11 1.02 0.34 -4.93 120.64 112.55 3mma n GLU 401 Ca 0.05 -0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3mma n GLU 401 Cb 0.16 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 3mma n GLU 401 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mma s LEU 402 N -2.95 4.32 0.08 -4.62 1.43 -0.93 -5.02 118.68 110.99 3mma s LEU 402 Ca 0.14 1.16 -0.31 0.00 -1.03 0.00 0.00 54.13 54.09 3mma s LEU 402 Cb 0.19 -3.40 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 3mma s LEU 402 CO 0.59 0.06 1.50 -0.54 0.23 0.00 0.00 176.35 178.20 3mma s LYS 403 N -2.05 4.25 0.32 1.70 -0.14 -1.26 -4.97 119.74 117.59 3mma s LYS 403 Ca 0.40 2.17 -0.29 0.00 -1.36 0.00 0.00 55.97 56.89 3mma s LYS 403 Cb -0.15 -3.43 -0.12 0.00 -1.68 0.00 0.00 37.83 32.45 3mma s LYS 403 CO 0.20 -0.59 1.37 -2.30 -0.76 0.00 0.00 175.35 173.26 3mma n PRO 404 N 4.85 2.22 -3.75 -1.68 -0.02 -1.26 -4.87 135.00 130.49 3mma n PRO 404 Ca 0.14 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 3mma n PRO 404 Cb 0.41 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3mma n PRO 404 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mma s SER 405 N -0.07 -0.22 0.33 2.55 1.04 -1.26 -4.99 113.70 111.08 3mma s SER 405 Ca 0.59 -0.50 0.12 0.00 0.48 0.00 0.00 55.95 56.64 3mma s SER 405 Cb -0.57 0.55 1.05 0.00 0.10 0.00 0.00 66.02 67.14 3mma s SER 405 CO 0.58 -1.00 1.49 0.00 0.98 0.00 0.00 173.24 175.29 3mma n ALA 406 N -0.31 0.77 -0.04 5.32 0.00 -1.26 -1.57 120.51 123.41 3mma n ALA 406 Ca -0.11 0.98 -0.13 0.00 0.00 0.00 0.00 53.44 54.19 3mma n ALA 406 Cb 0.63 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 3mma n ALA 406 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3mma h TYR 407 N 0.00 0.32 -0.22 0.00 3.20 -1.96 -1.76 116.97 116.55 3mma h TYR 407 Ca 0.71 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 62.41 3mma h TYR 407 Cb 1.73 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 3mma h TYR 407 CO -0.21 0.72 -0.12 1.79 -1.64 0.00 0.00 178.16 178.70 3mma h THR 408 N -0.16 1.20 -0.55 1.81 1.35 -1.77 -1.43 112.91 113.36 3mma h THR 408 Ca 0.01 -0.90 -0.08 0.00 -0.55 0.00 0.00 66.41 64.89 3mma h THR 408 Cb 0.68 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 3mma h THR 408 CO 0.03 0.29 0.01 -0.33 -0.25 0.00 0.00 175.52 175.27 3mma h GLU 409 N 0.34 0.93 -0.50 4.72 4.39 -1.25 0.06 114.58 123.27 3mma h GLU 409 Ca 0.07 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.53 3mma h GLU 409 Cb 0.43 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 3mma h GLU 409 CO 0.02 0.92 0.28 0.93 -1.16 0.00 0.00 179.01 180.00 3mma h GLU 410 N 0.86 0.53 -0.29 2.33 4.39 -0.72 0.21 114.58 121.90 3mma h GLU 410 Ca 0.16 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3mma h GLU 410 Cb 0.50 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3mma h GLU 410 CO 0.02 0.35 0.10 -0.07 -1.16 0.00 0.00 179.01 178.26 3mma h LEU 411 N 0.55 0.41 -0.61 1.33 3.38 -0.99 -2.64 115.31 116.75 3mma h LEU 411 Ca 0.21 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3mma h LEU 411 Cb 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3mma h LEU 411 CO -0.12 0.49 0.29 0.11 0.09 0.00 0.00 178.44 179.30 3mma h LYS 412 N 0.31 0.51 -0.37 1.13 1.57 -0.73 -1.89 116.57 117.10 3mma h LYS 412 Ca 0.09 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 3mma h LYS 412 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3mma h LYS 412 CO -0.00 0.34 0.27 -0.22 -0.57 0.00 0.00 179.45 179.26 3mma h LYS 413 N 0.53 0.00 -0.02 3.15 1.63 -0.24 -2.23 116.57 119.39 3mma h LYS 413 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3mma h LYS 413 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3mma h LYS 413 CO -0.23 0.00 -0.01 0.54 -3.45 0.00 0.00 179.45 176.31 3mma n ARG 414 N -4.42 1.47 -2.93 1.90 1.74 -0.78 -4.99 116.66 108.66 3mma n ARG 414 Ca 0.06 -1.55 -0.11 0.00 -0.77 0.00 0.00 57.85 55.48 3mma n ARG 414 Cb 0.45 -1.34 0.04 0.00 -1.02 0.00 0.00 32.46 30.59 3mma n ARG 414 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mma n GLY 415 N 1.00 0.11 0.00 -0.13 0.00 -0.80 -5.03 105.19 100.34 3mma n GLY 415 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3mma n GLY 415 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3mma n MET 416 N -2.74 0.00 -0.63 1.61 0.00 -0.84 -5.05 117.12 109.47 3mma n MET 416 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.64 3mma n MET 416 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.78 3mma n MET 416 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 175.97 177.84