#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdd s PHE 12 N 0.00 2.54 -0.29 1.61 0.40 -1.26 -5.05 117.98 115.93 3mdd s PHE 12 Ca 0.00 1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 3mdd s PHE 12 Cb 0.00 -3.30 0.14 0.00 0.51 0.00 0.00 43.02 40.37 3mdd s PHE 12 CO 0.00 -1.83 0.89 0.45 0.70 0.00 0.00 175.22 175.44 3mdd s SER 13 N -2.05 -0.68 -0.19 1.36 0.15 -1.26 -5.03 113.70 106.00 3mdd s SER 13 Ca 0.72 1.01 0.13 0.00 0.70 0.00 0.00 55.95 58.51 3mdd s SER 13 Cb -0.24 1.51 0.41 0.00 -1.71 0.00 0.00 66.02 65.99 3mdd s SER 13 CO 0.35 -0.15 1.21 0.49 1.20 0.00 0.00 173.24 176.34 3mdd n PHE 14 N 4.40 0.00 -4.05 3.44 3.01 -1.26 -5.01 117.46 117.99 3mdd n PHE 14 Ca -0.15 -1.38 -0.35 0.00 1.01 0.00 0.00 57.45 56.58 3mdd n PHE 14 Cb 0.55 -0.23 -0.10 0.00 -0.01 0.00 0.00 39.48 39.68 3mdd n PHE 14 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3mdd s GLU 15 N -2.97 3.88 0.58 -1.08 2.56 -1.26 -5.10 118.70 115.31 3mdd s GLU 15 Ca 0.37 -0.39 -0.16 0.00 0.00 0.00 0.00 54.97 54.79 3mdd s GLU 15 Cb 0.36 -3.18 -0.05 0.00 2.00 0.00 0.00 34.13 33.27 3mdd s GLU 15 CO -0.07 0.21 1.04 -0.51 -0.56 0.00 0.00 175.26 175.37 3mdd s LEU 16 N 0.53 3.51 0.64 2.70 1.02 -1.26 -5.06 118.68 120.76 3mdd s LEU 16 Ca 0.02 1.73 -0.07 0.00 0.02 0.00 0.00 54.13 55.82 3mdd s LEU 16 Cb -0.13 -4.52 0.02 0.00 0.02 0.00 0.00 46.19 41.58 3mdd s LEU 16 CO 0.01 -1.01 0.97 0.42 0.02 0.00 0.00 176.35 176.77 3mdd s THR 17 N -2.54 3.35 0.22 5.49 -4.23 -1.26 -4.88 115.64 111.78 3mdd s THR 17 Ca 0.62 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 61.10 3mdd s THR 17 Cb -0.14 -3.37 0.18 0.00 1.34 0.00 0.00 72.50 70.50 3mdd s THR 17 CO 0.37 -0.41 1.89 -0.33 -0.54 0.00 0.00 174.62 175.59 3mdd h GLU 18 N -0.37 1.04 -0.65 3.99 4.39 -1.99 0.33 114.58 121.32 3mdd h GLU 18 Ca -0.45 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.13 3mdd h GLU 18 Cb 1.27 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 3mdd h GLU 18 CO 0.61 0.69 0.20 0.37 -1.16 0.00 0.00 179.01 179.72 3mdd h GLN 19 N 1.07 1.02 -0.22 2.33 4.15 -1.99 -2.08 115.11 119.40 3mdd h GLN 19 Ca 0.30 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3mdd h GLN 19 Cb -0.11 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 3mdd h GLN 19 CO -0.07 0.90 -0.02 1.96 -1.93 0.00 0.00 178.83 179.66 3mdd h GLN 20 N 0.95 0.40 -0.96 1.69 4.20 -1.81 -1.04 115.11 118.54 3mdd h GLN 20 Ca 0.21 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.87 3mdd h GLN 20 Cb 0.30 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 3mdd h GLN 20 CO -0.01 0.61 0.62 0.87 -0.67 0.00 0.00 178.83 180.25 3mdd h LYS 21 N 0.15 0.99 -0.26 1.46 1.57 -0.78 0.66 116.57 120.36 3mdd h LYS 21 Ca 0.06 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3mdd h LYS 21 Cb 0.45 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3mdd h LYS 21 CO 0.02 0.66 -0.52 1.49 -0.57 0.00 0.00 179.45 180.52 3mdd h GLU 22 N 1.02 0.82 -0.37 3.15 4.57 -1.18 -0.81 114.58 121.79 3mdd h GLU 22 Ca 0.44 -0.53 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3mdd h GLU 22 Cb 0.33 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3mdd h GLU 22 CO -0.19 1.16 0.23 0.74 -1.18 0.00 0.00 179.01 179.77 3mdd h PHE 23 N 0.59 0.43 -0.54 0.92 0.04 -0.27 -2.27 116.94 115.84 3mdd h PHE 23 Ca 0.01 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.87 3mdd h PHE 23 Cb 1.13 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 39.07 3mdd h PHE 23 CO 0.08 0.26 0.17 0.37 -0.60 0.00 0.00 178.31 178.59 3mdd h GLN 24 N 0.47 0.33 -0.25 1.51 4.15 -0.81 -0.64 115.11 119.87 3mdd h GLN 24 Ca 0.14 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3mdd h GLN 24 Cb -0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3mdd h GLN 24 CO -0.05 0.22 0.15 0.00 -1.93 0.00 0.00 178.83 177.21 3mdd h ALA 25 N 1.38 0.32 -0.64 3.38 0.00 -1.07 0.79 119.26 123.42 3mdd h ALA 25 Ca 0.27 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3mdd h ALA 25 Cb 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3mdd h ALA 25 CO -0.29 -0.17 0.40 1.15 0.00 0.00 0.00 179.25 180.34 3mdd h THR 26 N 0.31 1.08 -0.46 0.00 2.02 -1.12 -0.36 112.91 114.37 3mdd h THR 26 Ca 0.09 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 3mdd h THR 26 Cb 0.03 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3mdd h THR 26 CO -0.02 0.14 -0.23 0.00 0.37 0.00 0.00 175.52 175.79 3mdd h ALA 27 N 1.28 0.64 -0.29 6.16 0.00 -0.90 -2.48 119.26 123.67 3mdd h ALA 27 Ca 0.26 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3mdd h ALA 27 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3mdd h ALA 27 CO -0.11 0.64 -0.01 -0.09 0.00 0.00 0.00 179.25 179.69 3mdd h ARG 28 N 0.80 0.52 -0.45 0.00 2.43 -0.49 -1.30 114.38 115.90 3mdd h ARG 28 Ca 0.10 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3mdd h ARG 28 Cb 0.81 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3mdd h ARG 28 CO 0.07 0.67 0.24 -0.22 -1.51 0.00 0.00 179.97 179.22 3mdd h LYS 29 N 0.31 0.64 -0.16 0.20 3.64 -1.09 -1.18 116.57 118.93 3mdd h LYS 29 Ca 0.08 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mdd h LYS 29 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3mdd h LYS 29 CO 0.02 0.51 0.09 0.35 -2.27 0.00 0.00 179.45 178.15 3mdd h PHE 30 N 0.59 0.21 -0.35 1.91 3.57 -1.38 0.63 116.94 122.12 3mdd h PHE 30 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3mdd h PHE 30 Cb 0.07 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3mdd h PHE 30 CO -0.02 0.18 0.16 0.00 -2.23 0.00 0.00 178.31 176.40 3mdd h ALA 31 N 1.01 0.45 0.02 2.41 0.00 -1.03 0.14 119.26 122.26 3mdd h ALA 31 Ca 0.06 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 3mdd h ALA 31 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mdd h ALA 31 CO -0.01 0.01 -1.08 0.00 0.00 0.00 0.00 179.25 178.17 3mdd h ARG 32 N 0.42 0.05 0.00 0.00 3.08 -1.18 -1.95 114.38 114.81 3mdd h ARG 32 Ca 0.12 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 3mdd h ARG 32 Cb 0.13 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3mdd h ARG 32 CO -0.01 1.02 -1.93 0.39 -1.07 0.00 0.00 179.97 178.37 3mdd n GLU 33 N -3.37 0.66 -0.02 0.04 1.02 0.21 -4.58 120.64 114.60 3mdd n GLU 33 Ca -0.02 -0.04 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 3mdd n GLU 33 Cb 0.96 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 3mdd n GLU 33 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mdd n GLU 34 N -2.56 0.10 0.00 3.49 1.02 0.45 -4.76 120.64 118.39 3mdd n GLU 34 Ca -0.13 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3mdd n GLU 34 Cb 0.80 -0.96 -0.00 0.00 -0.02 0.00 0.00 31.44 31.26 3mdd n GLU 34 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3mdd h ILE 35 N -0.05 0.00 -0.73 -3.67 2.04 -1.40 -3.37 117.51 110.34 3mdd h ILE 35 Ca -0.10 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3mdd h ILE 35 Cb 1.13 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 3mdd h ILE 35 CO -0.03 0.00 -0.37 -0.38 0.00 0.00 0.00 178.15 177.37 3mdd n ILE 36 N -2.04 -0.45 0.20 -0.67 5.41 -0.74 0.17 119.36 121.23 3mdd n ILE 36 Ca -0.00 1.75 0.03 0.00 1.00 0.00 0.00 62.75 65.52 3mdd n ILE 36 Cb 0.00 -2.22 0.12 0.00 -0.71 0.00 0.00 39.64 36.84 3mdd n ILE 36 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3mdd n PRO 37 N -4.98 0.01 0.00 0.38 -0.02 -1.26 -2.81 135.00 126.31 3mdd n PRO 37 Ca 0.04 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3mdd n PRO 37 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3mdd n PRO 37 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3mdd n VAL 38 N -1.49 0.00 -0.28 -1.45 3.14 0.13 -4.80 118.33 113.58 3mdd n VAL 38 Ca 0.01 -0.26 0.06 0.00 -2.96 0.00 0.00 64.34 61.20 3mdd n VAL 38 Cb 0.06 0.77 0.29 0.00 -1.06 0.00 0.00 33.84 33.91 3mdd n VAL 38 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mdd h ALA 39 N 0.00 1.62 -0.63 1.55 0.00 -0.80 -2.82 119.26 118.17 3mdd h ALA 39 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3mdd h ALA 39 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3mdd h ALA 39 CO 0.00 0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.73 3mdd h ALA 40 N 1.55 0.82 -0.41 0.00 0.00 -1.87 -2.60 119.26 116.76 3mdd h ALA 40 Ca 0.40 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3mdd h ALA 40 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mdd h ALA 40 CO -0.16 0.42 -0.12 1.49 0.00 0.00 0.00 179.25 180.88 3mdd h GLU 41 N 0.88 0.81 0.00 0.00 4.57 -1.85 -2.83 114.58 116.16 3mdd h GLU 41 Ca 0.21 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3mdd h GLU 41 Cb 0.18 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3mdd h GLU 41 CO -0.02 0.94 -0.21 1.88 -1.18 0.00 0.00 179.01 180.42 3mdd h TYR 42 N 0.63 0.00 -0.18 0.92 0.05 -1.49 -0.24 116.97 116.66 3mdd h TYR 42 Ca 0.10 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.70 3mdd h TYR 42 Cb 0.65 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 3mdd h TYR 42 CO 0.05 0.21 -0.64 0.22 -1.05 0.00 0.00 178.16 176.96 3mdd h ASP 43 N 0.00 0.75 0.11 3.88 3.58 -1.29 0.17 116.42 123.62 3mdd h ASP 43 Ca -0.00 -0.44 -0.26 0.00 0.42 0.00 0.00 57.03 56.75 3mdd h ASP 43 Cb 0.52 -0.22 0.02 0.00 1.72 0.00 0.00 39.33 41.37 3mdd h ASP 43 CO 0.03 1.19 -1.03 0.03 -2.88 0.00 0.00 179.24 176.58 3mdd h ARG 44 N 0.48 0.61 0.12 0.28 3.08 -1.15 -3.37 114.38 114.43 3mdd h ARG 44 Ca -0.01 -0.67 -0.35 0.00 0.07 0.00 0.00 59.98 59.02 3mdd h ARG 44 Cb 1.22 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 3mdd h ARG 44 CO 0.12 1.27 -1.88 1.79 -1.07 0.00 0.00 179.97 180.20 3mdd h THR 45 N 0.34 0.69 -0.00 2.04 1.35 -1.12 -3.49 112.91 112.73 3mdd h THR 45 Ca -0.12 -2.34 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 3mdd h THR 45 Cb 1.68 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 70.61 3mdd h THR 45 CO 0.20 0.83 -0.00 0.61 -0.25 0.00 0.00 175.52 176.91 3mdd n GLY 46 N 1.92 0.45 3.74 5.82 0.00 0.59 -5.02 105.19 112.69 3mdd n GLY 46 Ca -0.31 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 3mdd n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mdd s GLU 47 N -0.82 2.86 0.06 1.61 0.41 -1.26 -4.58 118.70 116.98 3mdd s GLU 47 Ca 0.00 2.05 -0.31 0.00 -0.41 0.00 0.00 54.97 56.30 3mdd s GLU 47 Cb 0.00 -2.00 -0.07 0.00 -1.78 0.00 0.00 34.13 30.28 3mdd s GLU 47 CO 0.00 -1.35 1.38 -0.47 -0.49 0.00 0.00 175.26 174.33 3mdd s TYR 48 N -1.42 3.06 -0.36 1.61 5.04 -1.26 -4.73 117.35 119.30 3mdd s TYR 48 Ca 0.78 0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 3mdd s TYR 48 Cb -0.36 -3.65 -0.16 0.00 0.35 0.00 0.00 41.96 38.13 3mdd s TYR 48 CO 0.40 -2.34 2.70 -0.35 -1.34 0.00 0.00 175.55 174.62 3mdd n PRO 49 N 4.63 1.85 -0.22 4.97 -0.04 -1.26 -4.72 135.00 140.20 3mdd n PRO 49 Ca 0.12 -1.04 -0.07 0.00 -0.04 0.00 0.00 63.50 62.47 3mdd n PRO 49 Cb 0.43 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 3mdd n PRO 49 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3mdd h VAL 50 N 2.56 0.09 -0.62 0.52 2.07 -1.97 -0.50 116.25 118.40 3mdd h VAL 50 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 3mdd h VAL 50 Cb 0.85 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3mdd h VAL 50 CO 0.68 0.00 0.41 -0.65 0.02 0.00 0.00 177.57 178.04 3mdd h PRO 51 N -0.20 0.62 -0.35 1.57 0.11 -2.00 0.66 132.00 132.43 3mdd h PRO 51 Ca 0.20 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 3mdd h PRO 51 Cb 0.56 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3mdd h PRO 51 CO -0.71 0.41 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.36 3mdd h LEU 52 N 0.64 0.66 -0.36 2.35 3.38 -1.52 -2.71 115.31 117.75 3mdd h LEU 52 Ca 0.26 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3mdd h LEU 52 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3mdd h LEU 52 CO -0.08 0.85 0.03 -0.07 0.09 0.00 0.00 178.44 179.26 3mdd h LEU 53 N 0.45 0.60 -1.74 1.67 3.38 -0.54 -0.53 115.31 118.60 3mdd h LEU 53 Ca 0.09 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3mdd h LEU 53 Cb 0.55 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3mdd h LEU 53 CO 0.03 0.74 0.29 0.50 0.09 0.00 0.00 178.44 180.09 3mdd h LYS 54 N 0.44 0.31 0.14 1.13 3.11 -0.86 -1.29 116.57 119.55 3mdd h LYS 54 Ca 0.11 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 3mdd h LYS 54 Cb 0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 3mdd h LYS 54 CO 0.01 0.20 -0.07 0.00 -2.81 0.00 0.00 179.45 176.79 3mdd h ARG 55 N 0.31 -0.19 -0.73 1.90 2.47 -1.13 -2.83 114.38 114.18 3mdd h ARG 55 Ca 0.19 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.09 3mdd h ARG 55 Cb 0.36 0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 28.60 3mdd h ARG 55 CO -0.04 0.27 0.12 0.00 0.56 0.00 0.00 179.97 180.88 3mdd h ALA 56 N -0.20 0.89 0.73 0.04 0.00 -0.55 0.13 119.26 120.30 3mdd h ALA 56 Ca -0.02 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3mdd h ALA 56 Cb 0.54 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3mdd h ALA 56 CO 0.03 -0.37 -0.39 2.35 0.00 0.00 0.00 179.25 180.87 3mdd h TRP 57 N 0.21 -1.02 -0.82 0.00 7.01 -1.33 0.19 115.95 120.18 3mdd h TRP 57 Ca 0.41 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.55 3mdd h TRP 57 Cb 0.72 0.35 -0.06 0.00 -2.10 0.00 0.00 29.16 28.07 3mdd h TRP 57 CO -0.31 -0.61 0.54 0.93 -2.79 0.00 0.00 178.44 176.20 3mdd h GLU 58 N -1.04 0.46 -0.00 2.65 5.08 -1.09 0.43 114.58 121.07 3mdd h GLU 58 Ca -0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3mdd h GLU 58 Cb 0.81 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3mdd h GLU 58 CO 0.14 0.30 -0.17 -0.11 -1.00 0.00 0.00 179.01 178.17 3mdd n LEU 59 N -4.50 0.44 -0.87 1.33 7.94 -0.04 -4.94 117.00 116.36 3mdd n LEU 59 Ca 0.16 0.07 -0.07 0.00 -1.11 0.00 0.00 56.01 55.05 3mdd n LEU 59 Cb 0.56 -0.24 -0.00 0.00 0.53 0.00 0.00 43.42 44.26 3mdd n LEU 59 CO 0.32 0.09 -0.08 0.61 -1.11 0.00 0.00 177.39 177.21 3mdd n GLY 60 N 1.36 0.09 1.87 -3.96 0.00 0.14 -4.94 105.19 99.76 3mdd n GLY 60 Ca 0.11 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 3mdd n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mdd n LEU 61 N -1.10 5.89 -3.81 0.99 4.77 0.60 -4.83 117.00 119.51 3mdd n LEU 61 Ca -0.08 -3.85 -0.12 0.00 -0.03 0.00 0.00 56.01 51.92 3mdd n LEU 61 Cb 0.56 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 3mdd n LEU 61 CO 0.11 1.26 -0.09 -0.32 -1.33 0.00 0.00 177.39 177.02 3mdd s MET 62 N -3.39 0.42 -1.48 3.23 1.75 -1.24 -4.79 119.30 113.81 3mdd s MET 62 Ca 0.54 0.02 -0.09 0.00 -1.25 0.00 0.00 55.69 54.91 3mdd s MET 62 Cb 0.46 0.19 0.06 0.00 2.84 0.00 0.00 34.83 38.38 3mdd s MET 62 CO 0.05 -0.09 0.79 0.09 -0.65 0.00 0.00 175.02 175.21 3mdd n ASN 63 N 2.17 -2.92 0.26 1.11 4.13 -1.26 -4.87 115.26 113.89 3mdd n ASN 63 Ca -0.17 -0.86 0.14 0.00 1.68 0.00 0.00 54.58 55.37 3mdd n ASN 63 Cb 0.57 -3.65 0.69 0.00 -1.54 0.00 0.00 39.78 35.85 3mdd n ASN 63 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3mdd h THR 64 N -1.91 0.32 0.00 3.41 1.35 -1.90 -3.09 112.91 111.09 3mdd h THR 64 Ca -0.60 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3mdd h THR 64 Cb 1.37 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3mdd h THR 64 CO 0.65 0.10 -0.25 1.57 -0.25 0.00 0.00 175.52 177.33 3mdd n HIS 65 N -3.34 0.63 -1.77 4.73 -0.00 -1.26 -0.85 115.22 113.37 3mdd n HIS 65 Ca -0.01 0.18 -0.42 0.00 -0.00 0.00 0.00 57.72 57.48 3mdd n HIS 65 Cb 0.30 -0.74 -0.03 0.00 -0.00 0.00 0.00 29.99 29.51 3mdd n HIS 65 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3mdd s ILE 66 N -3.10 2.79 0.65 3.57 1.01 -1.17 -4.54 121.20 120.41 3mdd s ILE 66 Ca 0.10 0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 3mdd s ILE 66 Cb 0.14 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3mdd s ILE 66 CO 0.64 -0.00 0.97 -2.65 0.00 0.00 0.00 174.94 173.89 3mdd n PRO 67 N 6.12 0.75 0.03 2.79 -0.02 -1.26 -0.86 135.00 142.56 3mdd n PRO 67 Ca 0.18 0.30 0.07 0.00 -2.02 0.00 0.00 63.50 62.03 3mdd n PRO 67 Cb 0.39 -2.20 0.49 0.00 -0.02 0.00 0.00 33.50 32.17 3mdd n PRO 67 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mdd h GLU 68 N 0.20 0.39 0.00 -0.52 5.08 -1.86 -1.72 114.58 116.15 3mdd h GLU 68 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3mdd h GLU 68 Cb 1.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3mdd h GLU 68 CO 0.49 0.26 0.02 0.66 -1.00 0.00 0.00 179.01 179.44 3mdd h SER 69 N 0.41 0.00 -0.23 1.42 4.64 -1.90 0.21 113.55 118.09 3mdd h SER 69 Ca 0.15 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 3mdd h SER 69 Cb 0.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 3mdd h SER 69 CO -0.03 0.00 -0.15 0.49 -0.87 0.00 0.00 176.83 176.27 3mdd n PHE 70 N -2.89 0.74 -1.07 4.77 3.72 -0.79 -4.93 117.46 117.01 3mdd n PHE 70 Ca -0.03 -1.43 -0.02 0.00 -0.05 0.00 0.00 57.45 55.92 3mdd n PHE 70 Cb 0.08 -0.39 -0.01 0.00 -0.94 0.00 0.00 39.48 38.22 3mdd n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mdd n GLY 71 N -1.07 0.55 3.97 1.37 0.00 0.06 -4.44 105.19 105.63 3mdd n GLY 71 Ca 0.27 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3mdd n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mdd s GLY 72 N -2.39 1.77 0.05 -0.02 0.00 -0.72 -4.95 107.32 101.07 3mdd s GLY 72 Ca 0.00 -1.61 0.22 0.00 0.00 0.00 0.00 44.72 43.33 3mdd s GLY 72 CO 0.00 -0.94 0.88 1.04 0.00 0.00 0.00 173.10 174.09 3mdd n LEU 73 N -3.21 0.53 -3.91 0.66 4.77 -0.98 -3.73 117.00 111.13 3mdd n LEU 73 Ca 0.16 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 3mdd n LEU 73 Cb 0.60 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3mdd n LEU 73 CO 0.43 0.02 0.01 0.61 -1.33 0.00 0.00 177.39 177.13 3mdd n GLY 74 N 1.33 -0.41 3.79 -0.72 0.00 -0.04 -4.76 105.19 104.39 3mdd n GLY 74 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3mdd n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mdd s LEU 75 N -7.10 3.56 0.94 0.99 1.02 -0.03 -4.93 118.68 113.14 3mdd s LEU 75 Ca 0.44 1.93 -0.13 0.00 0.02 0.00 0.00 54.13 56.38 3mdd s LEU 75 Cb -0.22 -4.55 0.21 0.00 0.02 0.00 0.00 46.19 41.65 3mdd s LEU 75 CO 0.85 -1.22 1.29 -0.83 0.02 0.00 0.00 176.35 176.45 3mdd s GLY 76 N -2.47 1.81 0.27 -3.19 0.00 -1.26 -4.45 107.32 98.02 3mdd s GLY 76 Ca 0.66 -1.43 0.12 0.00 0.00 0.00 0.00 44.72 44.07 3mdd s GLY 76 CO 0.34 -0.65 1.56 -2.22 0.00 0.00 0.00 173.10 172.13 3mdd h ILE 77 N -1.52 1.30 -0.04 0.90 1.08 -1.93 -2.35 117.51 114.95 3mdd h ILE 77 Ca -0.42 -2.24 -0.01 0.00 -0.39 0.00 0.00 64.86 61.80 3mdd h ILE 77 Cb 1.22 2.26 -0.00 0.00 -3.07 0.00 0.00 36.82 37.23 3mdd h ILE 77 CO 0.33 0.61 -0.00 0.40 -0.69 0.00 0.00 178.15 178.80 3mdd h ILE 78 N 0.00 1.25 0.13 -0.67 2.04 -1.95 -2.56 117.51 115.76 3mdd h ILE 78 Ca -0.01 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.10 3mdd h ILE 78 Cb 1.21 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3mdd h ILE 78 CO 0.08 0.21 -0.39 0.44 0.00 0.00 0.00 178.15 178.49 3mdd h ASP 79 N -0.24 -1.15 -0.74 1.72 3.32 -1.92 -1.65 116.42 115.76 3mdd h ASP 79 Ca 0.01 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.26 3mdd h ASP 79 Cb 0.33 0.43 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 3mdd h ASP 79 CO 0.00 -0.47 0.42 0.77 -1.72 0.00 0.00 179.24 178.24 3mdd h SER 80 N -0.64 0.62 -0.68 6.45 4.64 -1.46 -1.40 113.55 121.08 3mdd h SER 80 Ca 0.02 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3mdd h SER 80 Cb 0.66 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 3mdd h SER 80 CO -0.22 0.39 0.38 0.00 -0.87 0.00 0.00 176.83 176.50 3mdd h LEU 82 N 0.69 0.37 0.00 0.00 5.85 -0.33 -1.73 115.31 120.17 3mdd h LEU 82 Ca 0.31 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3mdd h LEU 82 Cb 0.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3mdd h LEU 82 CO -0.19 0.31 -0.00 0.40 -0.34 0.00 0.00 178.44 178.61 3mdd h ILE 83 N 0.40 1.29 -0.42 4.05 2.04 -0.80 -3.24 117.51 120.82 3mdd h ILE 83 Ca 0.11 -0.86 0.09 0.00 1.00 0.00 0.00 64.86 65.19 3mdd h ILE 83 Cb 0.00 1.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 3mdd h ILE 83 CO -0.02 0.22 -0.26 0.74 0.00 0.00 0.00 178.15 178.83 3mdd h THR 84 N -0.37 0.31 -0.90 -0.27 2.02 -0.34 -1.78 112.91 111.58 3mdd h THR 84 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 3mdd h THR 84 Cb 0.37 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.00 3mdd h THR 84 CO 0.00 0.00 0.51 -0.08 0.37 0.00 0.00 175.52 176.32 3mdd h GLU 85 N -0.18 0.75 -0.20 6.66 4.81 -1.37 0.25 114.58 125.30 3mdd h GLU 85 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3mdd h GLU 85 Cb 0.49 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3mdd h GLU 85 CO -0.53 0.49 0.04 0.93 -0.73 0.00 0.00 179.01 179.21 3mdd h GLU 86 N 0.77 0.33 0.56 1.92 4.39 -1.38 -2.61 114.58 118.56 3mdd h GLU 86 Ca 0.47 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 3mdd h GLU 86 Cb 0.57 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3mdd h GLU 86 CO -0.31 0.48 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.68 3mdd h LEU 87 N 0.13 -0.63 -1.10 1.33 4.07 -0.55 -2.97 115.31 115.58 3mdd h LEU 87 Ca 0.06 -0.01 0.24 0.00 0.08 0.00 0.00 57.88 58.24 3mdd h LEU 87 Cb 0.30 0.16 -0.11 0.00 1.08 0.00 0.00 40.66 42.10 3mdd h LEU 87 CO 0.00 -0.39 0.62 0.00 -1.08 0.00 0.00 178.44 177.59 3mdd h ALA 88 N -0.44 1.88 -0.92 1.53 0.00 -0.60 0.14 119.26 120.85 3mdd h ALA 88 Ca -0.08 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.11 3mdd h ALA 88 Cb 0.61 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3mdd h ALA 88 CO 0.13 -0.31 0.60 -0.92 0.00 0.00 0.00 179.25 178.74 3mdd h TYR 89 N 0.58 0.73 0.10 0.00 5.03 -1.29 -2.69 116.97 119.43 3mdd h TYR 89 Ca 0.61 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.94 3mdd h TYR 89 Cb 1.21 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.27 3mdd h TYR 89 CO -0.00 0.21 -0.05 0.78 -1.32 0.00 0.00 178.16 177.78 3mdd h GLY 90 N 0.57 -0.14 -5.65 1.82 0.00 -0.77 -3.44 103.07 95.45 3mdd h GLY 90 Ca 0.49 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.98 3mdd h GLY 90 CO -0.23 -0.05 0.27 0.00 0.00 0.00 0.00 176.54 176.53 3mdd n THR 92 N 4.20 0.12 0.25 0.00 -2.24 -1.23 -2.09 114.28 113.28 3mdd n THR 92 Ca -0.16 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 3mdd n THR 92 Cb 0.56 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 3mdd n THR 92 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3mdd h GLY 93 N 4.86 -0.67 0.94 3.38 0.00 -1.92 -0.56 103.07 109.11 3mdd h GLY 93 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 3mdd h GLY 93 CO 0.00 -0.24 -0.15 -2.08 0.00 0.00 0.00 176.54 174.07 3mdd h VAL 94 N -0.95 0.71 -0.77 4.60 2.07 -1.92 -3.20 116.25 116.78 3mdd h VAL 94 Ca -0.07 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3mdd h VAL 94 Cb 0.59 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3mdd h VAL 94 CO 0.11 0.03 0.42 -0.61 0.02 0.00 0.00 177.57 177.53 3mdd h GLN 95 N -0.48 0.69 0.00 1.57 -0.00 -1.47 -1.69 115.11 113.73 3mdd h GLN 95 Ca -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 3mdd h GLN 95 Cb 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.68 3mdd h GLN 95 CO 0.07 0.46 -0.04 1.15 0.00 0.00 0.00 178.83 180.46 3mdd h THR 96 N 0.71 0.93 -0.22 2.39 2.02 -1.09 0.11 112.91 117.75 3mdd h THR 96 Ca 0.37 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.34 3mdd h THR 96 Cb 0.35 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3mdd h THR 96 CO -0.25 0.04 -0.07 0.00 0.37 0.00 0.00 175.52 175.61 3mdd h ALA 97 N 1.96 0.31 -0.25 6.16 0.00 -1.33 -0.69 119.26 125.41 3mdd h ALA 97 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3mdd h ALA 97 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mdd h ALA 97 CO 0.01 0.12 0.11 0.82 0.00 0.00 0.00 179.25 180.30 3mdd h ILE 98 N 0.17 1.16 -1.00 0.00 2.04 -1.12 -2.95 117.51 115.80 3mdd h ILE 98 Ca 0.05 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3mdd h ILE 98 Cb 0.54 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3mdd h ILE 98 CO 0.03 0.16 0.65 -0.08 0.00 0.00 0.00 178.15 178.91 3mdd h GLU 99 N 0.26 1.18 -0.02 2.37 4.81 -0.76 -1.89 114.58 120.53 3mdd h GLU 99 Ca 0.09 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mdd h GLU 99 Cb 0.15 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3mdd h GLU 99 CO -0.01 0.78 0.04 0.00 -0.73 0.00 0.00 179.01 179.09 3mdd h ALA 100 N 1.43 1.39 -0.35 2.92 0.00 -0.94 -1.02 119.26 122.70 3mdd h ALA 100 Ca 0.42 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 3mdd h ALA 100 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mdd h ALA 100 CO -0.15 -0.05 -0.23 -0.91 0.00 0.00 0.00 179.25 177.91 3mdd h ASN 101 N 0.00 0.80 -0.16 0.00 4.21 -1.38 -2.89 115.58 116.16 3mdd h ASN 101 Ca 0.01 -0.43 -0.11 0.00 1.21 0.00 0.00 56.30 56.99 3mdd h ASN 101 Cb 0.09 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 3mdd h ASN 101 CO -0.00 1.06 -0.24 0.74 -1.29 0.00 0.00 177.43 177.69 3mdd h THR 102 N 0.54 1.27 -0.87 2.81 2.02 -1.28 -2.10 112.91 115.30 3mdd h THR 102 Ca 0.07 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 65.95 3mdd h THR 102 Cb 0.78 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3mdd h THR 102 CO 0.06 0.43 0.58 -0.07 0.37 0.00 0.00 175.52 176.88 3mdd h LEU 103 N 0.54 0.99 0.00 2.58 4.07 -1.28 -1.21 115.31 121.00 3mdd h LEU 103 Ca 0.08 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 3mdd h LEU 103 Cb 0.71 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3mdd h LEU 103 CO 0.05 0.71 -0.63 1.23 -1.08 0.00 0.00 178.44 178.72 3mdd h GLY 104 N 1.17 0.00 0.01 0.83 0.00 -1.41 -3.38 103.07 100.28 3mdd h GLY 104 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3mdd h GLY 104 CO -0.08 0.00 -0.00 1.46 0.00 0.00 0.00 176.54 177.92 3mdd h GLN 105 N 0.00 -0.00 -0.85 4.80 4.20 -1.03 -3.38 115.11 118.85 3mdd h GLN 105 Ca -0.03 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.85 3mdd h GLN 105 Cb 1.27 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.89 3mdd h GLN 105 CO 0.04 0.99 -0.18 0.28 -0.67 0.00 0.00 178.83 179.29 3mdd h VAL 106 N -0.99 0.16 -0.76 -0.54 2.07 -1.41 -0.11 116.25 114.66 3mdd h VAL 106 Ca -0.00 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3mdd h VAL 106 Cb 0.99 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 3mdd h VAL 106 CO 0.00 0.00 0.31 -0.65 0.02 0.00 0.00 177.57 177.25 3mdd h PRO 107 N 0.01 0.44 -0.21 1.57 0.11 -1.77 0.81 132.00 132.96 3mdd h PRO 107 Ca 0.42 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.39 3mdd h PRO 107 Cb 0.67 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3mdd h PRO 107 CO -0.86 0.29 -0.37 1.25 -0.21 0.00 0.00 178.00 178.11 3mdd h LEU 108 N 0.46 0.47 -0.67 2.35 6.46 -1.24 0.44 115.31 123.57 3mdd h LEU 108 Ca 0.42 -0.19 -0.13 0.00 -0.12 0.00 0.00 57.88 57.86 3mdd h LEU 108 Cb 0.63 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3mdd h LEU 108 CO -0.40 0.80 -0.35 0.40 -0.62 0.00 0.00 178.44 178.27 3mdd h ILE 109 N 0.38 1.29 -0.01 4.05 2.04 0.06 -0.58 117.51 124.73 3mdd h ILE 109 Ca 0.04 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3mdd h ILE 109 Cb 0.82 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3mdd h ILE 109 CO 0.07 0.48 -0.35 2.30 0.00 0.00 0.00 178.15 180.65 3mdd n ILE 110 N -4.06 0.00 -0.95 -0.67 -5.35 0.07 -4.65 119.36 103.75 3mdd n ILE 110 Ca -0.01 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3mdd n ILE 110 Cb 0.49 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3mdd n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mdd n GLY 111 N 1.19 -0.28 4.01 3.28 0.00 0.13 -5.06 105.19 108.46 3mdd n GLY 111 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3mdd n GLY 111 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mdd s GLY 112 N -0.01 1.91 0.49 -0.02 0.00 -0.23 -2.62 107.32 106.84 3mdd s GLY 112 Ca 0.00 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 43.10 3mdd s GLY 112 CO 0.00 -1.47 0.49 0.54 0.00 0.00 0.00 173.10 172.66 3mdd s ASN 113 N -4.40 4.99 0.14 1.64 2.20 -1.26 -4.93 114.94 113.32 3mdd s ASN 113 Ca 0.56 -0.89 -0.19 0.00 -0.94 0.00 0.00 52.86 51.40 3mdd s ASN 113 Cb -0.09 -0.11 0.02 0.00 -2.00 0.00 0.00 41.25 39.07 3mdd s ASN 113 CO 0.34 -0.94 1.68 0.22 -2.94 0.00 0.00 177.10 175.46 3mdd h TYR 114 N 0.74 -0.22 -0.20 1.54 3.20 -1.99 -0.43 116.97 119.61 3mdd h TYR 114 Ca -0.37 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.57 3mdd h TYR 114 Cb 1.28 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 3mdd h TYR 114 CO 0.62 -0.16 -0.09 1.96 -1.64 0.00 0.00 178.16 178.86 3mdd h GLN 115 N -0.05 -0.07 0.21 1.82 7.50 -1.98 0.31 115.11 122.85 3mdd h GLN 115 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.29 3mdd h GLN 115 Cb 0.25 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 3mdd h GLN 115 CO -0.30 -0.04 -0.17 1.96 -1.50 0.00 0.00 178.83 178.78 3mdd h GLN 116 N -0.07 -0.38 0.56 1.46 4.20 -1.84 -0.27 115.11 118.77 3mdd h GLN 116 Ca 0.11 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3mdd h GLN 116 Cb 0.23 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.10 3mdd h GLN 116 CO -0.25 -0.26 -0.27 1.96 -0.67 0.00 0.00 178.83 179.35 3mdd h GLN 117 N -0.40 -0.73 -0.94 1.46 4.20 -0.87 0.19 115.11 118.01 3mdd h GLN 117 Ca -0.01 0.05 0.16 0.00 0.06 0.00 0.00 58.65 58.91 3mdd h GLN 117 Cb 0.36 0.17 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 3mdd h GLN 117 CO -0.02 -0.49 0.60 -0.22 -0.67 0.00 0.00 178.83 178.03 3mdd h LYS 118 N -0.76 0.72 0.31 1.46 3.64 -0.37 0.59 116.57 122.15 3mdd h LYS 118 Ca -0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3mdd h LYS 118 Cb 0.59 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3mdd h LYS 118 CO 0.13 0.47 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.41 3mdd h LYS 119 N 0.74 -0.39 0.00 1.90 3.64 -0.64 -3.15 116.57 118.66 3mdd h LYS 119 Ca 0.49 0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.67 3mdd h LYS 119 Cb 0.77 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3mdd h LYS 119 CO -0.25 -0.26 -1.17 1.88 -2.27 0.00 0.00 179.45 177.38 3mdd h TYR 120 N -0.84 0.00 0.17 1.91 0.05 -0.47 -3.26 116.97 114.54 3mdd h TYR 120 Ca -0.04 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.40 3mdd h TYR 120 Cb 0.31 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.06 3mdd h TYR 120 CO 0.03 0.96 -1.64 -0.07 -1.05 0.00 0.00 178.16 176.39 3mdd h LEU 121 N 0.00 0.57 -0.38 3.88 4.07 0.02 -3.36 115.31 120.11 3mdd h LEU 121 Ca -0.09 -0.79 0.07 0.00 0.08 0.00 0.00 57.88 57.15 3mdd h LEU 121 Cb 1.81 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 43.30 3mdd h LEU 121 CO 0.11 1.66 0.02 1.23 -1.08 0.00 0.00 178.44 180.38 3mdd h GLY 122 N 0.97 0.41 1.93 0.83 0.00 -1.43 -2.00 103.07 103.77 3mdd h GLY 122 Ca -0.30 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3mdd h GLY 122 CO 0.19 -0.08 -0.01 0.07 0.00 0.00 0.00 176.54 176.71 3mdd h ARG 123 N 0.13 0.09 0.00 4.80 0.11 -1.72 -1.86 114.38 115.94 3mdd h ARG 123 Ca 0.19 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.19 3mdd h ARG 123 Cb 0.25 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 3mdd h ARG 123 CO -0.29 0.11 -0.34 0.52 0.10 0.00 0.00 179.97 180.07 3mdd h MET 124 N 0.09 0.00 0.00 0.08 2.86 -1.50 -2.40 114.93 114.06 3mdd h MET 124 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3mdd h MET 124 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3mdd h MET 124 CO 0.00 0.34 -0.16 2.41 1.06 0.00 0.00 176.91 180.56 3mdd n THR 125 N -4.05 0.45 -0.13 2.22 -1.04 -0.71 -4.20 114.28 106.80 3mdd n THR 125 Ca -0.02 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.05 61.47 3mdd n THR 125 Cb 0.39 -0.44 -0.10 0.00 -1.82 0.00 0.00 70.33 68.36 3mdd n THR 125 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3mdd n GLU 126 N -2.11 0.60 -4.42 -2.82 1.02 -0.95 -5.01 120.64 106.94 3mdd n GLU 126 Ca 0.05 0.27 -0.25 0.00 -0.02 0.00 0.00 57.16 57.21 3mdd n GLU 126 Cb 0.42 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 30.21 3mdd n GLU 126 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3mdd s GLU 127 N -2.50 1.52 -0.12 3.49 2.02 -0.96 -5.04 118.70 117.11 3mdd s GLU 127 Ca -0.38 -1.57 -0.04 0.00 0.02 0.00 0.00 54.97 53.00 3mdd s GLU 127 Cb 0.14 -1.74 -0.16 0.00 0.10 0.00 0.00 34.13 32.46 3mdd s GLU 127 CO 0.51 0.36 2.50 -0.35 0.02 0.00 0.00 175.26 178.30 3mdd n PRO 128 N 0.05 1.42 -1.54 0.39 -0.04 -1.26 -4.53 135.00 129.49 3mdd n PRO 128 Ca -0.11 -0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 62.29 3mdd n PRO 128 Cb 0.57 -1.90 0.08 0.00 -0.04 0.00 0.00 33.50 32.21 3mdd n PRO 128 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mdd s LEU 129 N 0.01 2.79 0.19 1.53 1.02 -1.26 -4.95 118.68 118.02 3mdd s LEU 129 Ca 0.44 1.44 0.08 0.00 0.02 0.00 0.00 54.13 56.11 3mdd s LEU 129 Cb 0.20 -4.14 -0.04 0.00 0.02 0.00 0.00 46.19 42.22 3mdd s LEU 129 CO -0.00 -1.80 -0.16 -0.04 0.02 0.00 0.00 176.35 174.36 3mdd s MET 130 N -5.10 1.33 0.30 1.70 -1.94 -1.26 -4.98 119.30 109.35 3mdd s MET 130 Ca 0.60 -1.52 0.05 0.00 -1.71 0.00 0.00 55.69 53.10 3mdd s MET 130 Cb -0.14 -1.26 -0.03 0.00 2.01 0.00 0.00 34.83 35.41 3mdd s MET 130 CO 0.55 0.23 0.22 0.00 -0.01 0.00 0.00 175.02 176.01 3mdd s ALA 132 N -3.60 0.19 -0.29 0.00 0.00 -0.95 -4.36 121.76 112.76 3mdd s ALA 132 Ca 0.39 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3mdd s ALA 132 Cb 0.04 1.06 0.09 0.00 0.00 0.00 0.00 23.12 24.31 3mdd s ALA 132 CO 0.22 -0.84 0.09 -0.47 0.00 0.00 0.00 175.76 174.76 3mdd s TYR 133 N -3.33 1.47 -0.58 0.00 5.04 -1.26 -0.75 117.35 117.93 3mdd s TYR 133 Ca 0.26 -1.49 -0.10 0.00 -2.44 0.00 0.00 57.07 53.29 3mdd s TYR 133 Cb -0.01 -1.50 0.15 0.00 0.35 0.00 0.00 41.96 40.94 3mdd s TYR 133 CO 0.15 -0.82 0.47 0.00 -1.34 0.00 0.00 175.55 174.00 3mdd n VAL 135 N 4.51 0.55 -1.70 0.00 0.31 -1.26 -2.33 118.33 118.41 3mdd n VAL 135 Ca -0.01 0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 64.05 3mdd n VAL 135 Cb 0.41 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 3mdd n VAL 135 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3mdd n THR 136 N -3.23 1.15 -4.35 2.52 -1.04 -1.26 -4.93 114.28 103.14 3mdd n THR 136 Ca -0.01 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.53 3mdd n THR 136 Cb 0.29 -1.67 -0.10 0.00 -1.82 0.00 0.00 70.33 67.03 3mdd n THR 136 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3mdd s GLU 137 N -0.70 1.37 0.35 -2.82 2.02 0.21 -0.40 118.70 118.74 3mdd s GLU 137 Ca 0.64 -1.68 0.07 0.00 0.02 0.00 0.00 54.97 54.02 3mdd s GLU 137 Cb -0.58 -0.80 0.76 0.00 0.10 0.00 0.00 34.13 33.61 3mdd s GLU 137 CO 0.51 -0.03 1.90 -1.35 0.02 0.00 0.00 175.26 176.32 3mdd h PRO 138 N 2.45 0.73 -0.00 0.39 0.11 -1.88 -2.36 132.00 131.43 3mdd h PRO 138 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3mdd h PRO 138 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3mdd h PRO 138 CO 0.65 0.48 -0.47 0.41 -0.21 0.00 0.00 178.00 178.86 3mdd n GLY 139 N -1.43 -0.94 3.62 -0.55 0.00 -1.26 -4.89 105.19 99.73 3mdd n GLY 139 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 3mdd n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdd s ALA 140 N -2.80 -1.88 0.02 4.61 0.00 -0.89 -4.99 121.76 115.82 3mdd s ALA 140 Ca 0.16 2.35 0.00 0.00 0.00 0.00 0.00 51.96 54.46 3mdd s ALA 140 Cb 0.18 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3mdd s ALA 140 CO 0.65 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3mdd n GLY 141 N 4.70 -0.00 0.36 0.00 0.00 -1.26 -0.62 105.19 108.38 3mdd n GLY 141 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 3mdd n GLY 141 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mdd h SER 142 N 0.00 1.13 -2.63 1.61 0.02 -1.96 -3.33 113.55 108.39 3mdd h SER 142 Ca 0.00 -0.08 -0.76 0.00 -0.84 0.00 0.00 61.79 60.11 3mdd h SER 142 Cb 0.00 -0.29 -0.21 0.00 0.14 0.00 0.00 62.40 62.04 3mdd h SER 142 CO 0.00 0.88 1.06 -0.62 -1.14 0.00 0.00 176.83 177.01 3mdd s ASP 143 N -6.19 7.16 0.22 3.07 2.15 -1.26 -4.87 116.67 116.96 3mdd s ASP 143 Ca -0.13 -3.21 -0.07 0.00 0.43 0.00 0.00 52.55 49.57 3mdd s ASP 143 Cb 0.17 -2.34 0.32 0.00 -0.30 0.00 0.00 42.92 40.77 3mdd s ASP 143 CO 0.83 -0.59 1.78 0.58 -0.17 0.00 0.00 175.17 177.60 3mdd h VAL 144 N 4.31 0.86 0.00 1.11 2.07 -1.92 0.11 116.25 122.79 3mdd h VAL 144 Ca 0.27 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3mdd h VAL 144 Cb 0.87 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3mdd h VAL 144 CO 1.17 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.87 3mdd n ALA 145 N -2.40 1.47 1.16 1.67 0.00 -1.26 -1.99 120.51 119.15 3mdd n ALA 145 Ca 0.10 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3mdd n ALA 145 Cb 0.26 -1.12 0.22 0.00 0.00 0.00 0.00 19.45 18.81 3mdd n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mdd n GLY 146 N -0.69 0.39 3.76 0.00 0.00 0.37 -4.97 105.19 104.05 3mdd n GLY 146 Ca 0.03 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3mdd n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mdd s ILE 147 N -2.14 2.92 0.00 -0.61 -4.36 -0.84 -4.79 121.20 111.37 3mdd s ILE 147 Ca 0.29 0.47 0.00 0.00 -0.26 0.00 0.00 60.65 61.14 3mdd s ILE 147 Cb 0.20 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.88 3mdd s ILE 147 CO 0.38 -0.23 0.69 2.29 0.24 0.00 0.00 174.94 178.32 3mdd n LYS 148 N -2.25 1.26 -1.64 0.37 2.85 -1.26 -4.81 118.16 112.68 3mdd n LYS 148 Ca 0.12 -0.93 -0.43 0.00 -1.05 0.00 0.00 58.31 56.02 3mdd n LYS 148 Cb 0.51 -0.82 -0.03 0.00 -0.65 0.00 0.00 35.03 34.04 3mdd n LYS 148 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3mdd n THR 149 N -0.24 0.62 -3.25 0.58 -1.04 -1.26 -4.83 114.28 104.87 3mdd n THR 149 Ca 0.00 -0.25 -0.38 0.00 -2.04 0.00 0.00 64.05 61.38 3mdd n THR 149 Cb 0.28 -2.40 -0.06 0.00 -1.82 0.00 0.00 70.33 66.33 3mdd n THR 149 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3mdd s LYS 150 N 5.13 4.21 -0.26 -2.82 1.02 -0.43 0.60 119.74 127.19 3mdd s LYS 150 Ca 0.93 0.75 0.01 0.00 0.02 0.00 0.00 55.97 57.69 3mdd s LYS 150 Cb -0.41 -3.19 0.07 0.00 -0.52 0.00 0.00 37.83 33.79 3mdd s LYS 150 CO 0.40 0.60 -0.01 0.00 -0.92 0.00 0.00 175.35 175.42 3mdd s ALA 151 N -1.17 2.08 -0.20 5.17 0.00 -0.09 -1.87 121.76 125.67 3mdd s ALA 151 Ca 0.31 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 3mdd s ALA 151 Cb -0.19 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 3mdd s ALA 151 CO 0.20 -1.35 -0.04 -1.21 0.00 0.00 0.00 175.76 173.36 3mdd s GLU 152 N 1.33 3.46 0.11 0.00 2.02 -0.78 -4.37 118.70 120.48 3mdd s GLU 152 Ca -0.01 -0.60 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 3mdd s GLU 152 Cb -0.19 -2.97 -0.07 0.00 0.10 0.00 0.00 34.13 31.00 3mdd s GLU 152 CO -0.09 -0.06 1.27 0.21 0.02 0.00 0.00 175.26 176.61 3mdd s LYS 153 N 1.13 4.40 -0.40 1.61 2.20 -1.26 -0.25 119.74 127.17 3mdd s LYS 153 Ca 0.02 1.92 0.04 0.00 -0.36 0.00 0.00 55.97 57.58 3mdd s LYS 153 Cb -0.15 -3.28 0.16 0.00 -1.51 0.00 0.00 37.83 33.06 3mdd s LYS 153 CO -0.00 -0.29 0.41 0.21 -0.36 0.00 0.00 175.35 175.31 3mdd s LYS 154 N 0.78 0.78 7.86 4.03 2.20 0.17 -4.94 119.74 130.61 3mdd s LYS 154 Ca 0.60 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3mdd s LYS 154 Cb -0.33 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 3mdd s LYS 154 CO 0.31 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.44 3mdd n GLY 155 N 3.61 2.32 1.47 5.54 0.00 -1.26 -2.83 105.19 114.04 3mdd n GLY 155 Ca 0.18 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3mdd n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mdd n ASP 156 N 8.82 4.86 -4.29 1.61 8.00 -1.26 -4.94 116.55 129.36 3mdd n ASP 156 Ca 0.00 -2.81 -0.15 0.00 0.71 0.00 0.00 54.79 52.53 3mdd n ASP 156 Cb 0.00 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 3mdd n ASP 156 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mdd s GLU 157 N -2.51 1.19 -0.08 -1.24 2.02 -1.13 -1.23 118.70 115.72 3mdd s GLU 157 Ca 0.49 -1.56 0.02 0.00 0.02 0.00 0.00 54.97 53.94 3mdd s GLU 157 Cb 0.36 -0.59 0.01 0.00 0.10 0.00 0.00 34.13 34.02 3mdd s GLU 157 CO 0.16 -0.02 -0.15 0.71 0.02 0.00 0.00 175.26 175.98 3mdd s TYR 158 N -3.40 1.78 -0.29 1.61 1.51 0.06 -0.66 117.35 117.97 3mdd s TYR 158 Ca 0.23 -0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 55.41 3mdd s TYR 158 Cb 0.04 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3mdd s TYR 158 CO 0.05 -0.36 0.35 0.42 -1.11 0.00 0.00 175.55 174.90 3mdd s ILE 159 N 0.73 5.18 -0.25 2.71 -1.09 0.66 -0.50 121.20 128.65 3mdd s ILE 159 Ca -0.12 0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 58.60 3mdd s ILE 159 Cb -0.16 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3mdd s ILE 159 CO 0.03 0.10 0.15 -0.63 -1.23 0.00 0.00 174.94 173.36 3mdd s ILE 160 N 2.03 5.20 -0.15 2.92 -1.09 0.30 -1.86 121.20 128.56 3mdd s ILE 160 Ca 0.13 0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3mdd s ILE 160 Cb -0.16 -3.44 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3mdd s ILE 160 CO 0.11 0.33 0.00 0.20 -1.23 0.00 0.00 174.94 174.34 3mdd s ASN 161 N 1.26 2.46 0.00 3.58 -0.87 -0.78 -1.07 114.94 119.52 3mdd s ASN 161 Ca 0.07 -0.54 0.00 0.00 -1.57 0.00 0.00 52.86 50.82 3mdd s ASN 161 Cb -0.14 -0.63 0.00 0.00 -0.02 0.00 0.00 41.25 40.46 3mdd s ASN 161 CO 0.06 -0.24 0.00 0.61 -2.57 0.00 0.00 177.10 174.96 3mdd n GLY 162 N 5.04 -1.34 2.89 0.66 0.00 -0.54 -1.31 105.19 110.60 3mdd n GLY 162 Ca -0.09 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 3mdd n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mdd s GLN 163 N -1.83 0.51 0.15 1.61 0.74 -1.26 0.79 119.66 120.36 3mdd s GLN 163 Ca 0.00 -0.07 0.07 0.00 0.05 0.00 0.00 55.36 55.41 3mdd s GLN 163 Cb 0.00 -0.56 -0.04 0.00 1.10 0.00 0.00 33.01 33.51 3mdd s GLN 163 CO 0.00 -0.03 -0.05 0.15 -0.55 0.00 0.00 175.29 174.81 3mdd s LYS 164 N 0.58 2.26 0.03 1.67 -0.14 0.98 -4.39 119.74 120.72 3mdd s LYS 164 Ca -0.07 -1.09 0.01 0.00 -1.36 0.00 0.00 55.97 53.46 3mdd s LYS 164 Cb -0.10 -2.32 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 3mdd s LYS 164 CO -0.01 0.48 -0.05 1.41 -0.76 0.00 0.00 175.35 176.42 3mdd s MET 165 N -2.63 0.38 -1.13 1.68 -2.45 0.47 -1.48 119.30 114.14 3mdd s MET 165 Ca 0.25 -0.65 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 3mdd s MET 165 Cb -0.10 -0.03 0.00 0.00 1.25 0.00 0.00 34.83 35.96 3mdd s MET 165 CO 0.16 -0.02 0.96 0.91 1.05 0.00 0.00 175.02 178.08 3mdd n TRP 166 N 1.58 -2.19 -3.11 4.11 5.03 -1.08 -4.44 117.44 117.33 3mdd n TRP 166 Ca -0.23 0.87 -0.43 0.00 3.03 0.00 0.00 57.50 60.73 3mdd n TRP 166 Cb 0.55 -4.71 -0.07 0.00 -1.03 0.00 0.00 31.31 26.05 3mdd n TRP 166 CO 0.00 0.00 0.00 0.42 -0.03 0.00 0.00 177.69 178.08 3mdd s ILE 167 N -3.31 4.83 0.08 -0.99 -1.09 0.70 -4.78 121.20 116.64 3mdd s ILE 167 Ca 0.20 0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.44 3mdd s ILE 167 Cb -0.09 -4.20 -0.08 0.00 -1.58 0.00 0.00 42.46 36.51 3mdd s ILE 167 CO 0.65 -0.59 1.56 -0.89 -1.23 0.00 0.00 174.94 174.45 3mdd s THR 168 N 2.82 3.09 -0.15 2.92 2.01 -1.26 -1.20 115.64 123.88 3mdd s THR 168 Ca 0.23 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.86 3mdd s THR 168 Cb -0.14 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.97 3mdd s THR 168 CO 0.19 0.01 0.00 0.59 -0.69 0.00 0.00 174.62 174.72 3mdd n ASN 169 N 5.01 -3.96 -0.34 3.53 5.03 0.15 -4.52 115.26 120.17 3mdd n ASN 169 Ca 0.14 0.03 0.22 0.00 0.87 0.00 0.00 54.58 55.85 3mdd n ASN 169 Cb 0.41 -1.58 0.47 0.00 -1.02 0.00 0.00 39.78 38.05 3mdd n ASN 169 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3mdd h GLY 170 N 0.00 1.59 -1.09 7.41 0.00 -1.26 0.15 103.07 109.87 3mdd h GLY 170 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3mdd h GLY 170 CO 0.04 -0.23 -0.20 0.61 0.00 0.00 0.00 176.54 176.75 3mdd n GLY 171 N -1.39 0.17 0.12 4.60 0.00 -1.26 -4.44 105.19 102.98 3mdd n GLY 171 Ca 0.27 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.80 3mdd n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mdd n LYS 172 N 0.40 0.70 -2.68 1.61 4.01 -0.58 -5.06 118.16 116.57 3mdd n LYS 172 Ca 0.09 -0.59 -0.37 0.00 -0.51 0.00 0.00 58.31 56.93 3mdd n LYS 172 Cb 0.41 -1.00 -0.05 0.00 -0.51 0.00 0.00 35.03 33.87 3mdd n LYS 172 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3mdd s ALA 173 N -0.50 3.17 -0.07 7.82 0.00 0.43 -4.37 121.76 128.24 3mdd s ALA 173 Ca 0.04 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3mdd s ALA 173 Cb 0.03 -3.22 -0.25 0.00 0.00 0.00 0.00 23.12 19.68 3mdd s ALA 173 CO 0.06 0.01 0.56 -0.97 0.00 0.00 0.00 175.76 175.43 3mdd h ASN 174 N 2.91 0.21 -5.04 0.00 -1.24 -0.22 -3.43 115.58 108.78 3mdd h ASN 174 Ca -0.47 -0.45 -0.08 0.00 0.71 0.00 0.00 56.30 56.00 3mdd h ASN 174 Cb 1.20 -0.07 -0.17 0.00 0.73 0.00 0.00 38.32 40.02 3mdd h ASN 174 CO 0.64 1.40 -0.14 -1.66 -1.29 0.00 0.00 177.43 176.38 3mdd s TRP 175 N -2.58 -0.23 -0.06 0.67 1.48 -1.25 -1.76 118.94 115.20 3mdd s TRP 175 Ca -0.12 0.17 0.05 0.00 -1.06 0.00 0.00 56.10 55.14 3mdd s TRP 175 Cb 0.07 0.19 -0.01 0.00 -1.16 0.00 0.00 33.47 32.56 3mdd s TRP 175 CO 0.80 -0.55 -0.23 0.71 -4.06 0.00 0.00 176.95 173.62 3mdd s TYR 176 N -2.46 2.49 -0.03 1.66 2.02 0.40 -2.24 117.35 119.19 3mdd s TYR 176 Ca -0.05 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.70 3mdd s TYR 176 Cb -0.01 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3mdd s TYR 176 CO -0.02 -0.17 1.06 0.12 -1.57 0.00 0.00 175.55 174.97 3mdd s PHE 177 N -0.20 3.51 -0.12 2.71 5.36 0.07 -1.54 117.98 127.77 3mdd s PHE 177 Ca -0.02 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.49 3mdd s PHE 177 Cb -0.13 -3.24 0.02 0.00 -0.34 0.00 0.00 43.02 39.33 3mdd s PHE 177 CO 0.03 -0.48 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.00 3mdd s LEU 178 N 1.50 1.63 -0.23 6.12 1.98 -0.17 0.08 118.68 129.59 3mdd s LEU 178 Ca 0.53 -0.42 -0.09 0.00 -2.89 0.00 0.00 54.13 51.26 3mdd s LEU 178 Cb -0.22 -1.06 -0.04 0.00 0.66 0.00 0.00 46.19 45.53 3mdd s LEU 178 CO 0.24 -0.02 0.12 -0.22 -1.89 0.00 0.00 176.35 174.58 3mdd s LEU 179 N 1.19 3.91 0.06 -0.68 2.96 -0.98 -0.17 118.68 124.97 3mdd s LEU 179 Ca -0.03 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3mdd s LEU 179 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 3mdd s LEU 179 CO -0.04 0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 174.98 3mdd s ALA 180 N 0.96 0.80 -0.20 5.97 0.00 -0.57 -4.82 121.76 123.90 3mdd s ALA 180 Ca 0.06 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 3mdd s ALA 180 Cb -0.14 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 3mdd s ALA 180 CO 0.03 -0.04 0.95 0.50 0.00 0.00 0.00 175.76 177.20 3mdd s ARG 181 N -2.19 4.28 0.00 0.00 3.52 0.20 -0.51 118.95 124.24 3mdd s ARG 181 Ca -0.03 1.21 0.11 0.00 -0.13 0.00 0.00 55.73 56.89 3mdd s ARG 181 Cb -0.06 -3.61 -0.07 0.00 -1.56 0.00 0.00 34.95 29.65 3mdd s ARG 181 CO -0.00 -0.50 0.56 -1.13 -0.81 0.00 0.00 175.30 173.42 3mdd n SER 182 N 5.83 0.86 -4.20 -2.12 3.41 0.10 -0.92 113.62 116.57 3mdd n SER 182 Ca 0.09 -0.93 -0.37 0.00 -0.26 0.00 0.00 58.87 57.40 3mdd n SER 182 Cb 0.47 0.77 -0.13 0.00 -0.26 0.00 0.00 64.21 65.07 3mdd n SER 182 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mdd s ASP 183 N -1.79 5.17 0.58 4.04 -1.08 -0.89 -4.90 116.67 117.80 3mdd s ASP 183 Ca 0.06 -1.40 0.38 0.00 -0.52 0.00 0.00 52.55 51.07 3mdd s ASP 183 Cb 0.09 -1.81 1.87 0.00 -1.46 0.00 0.00 42.92 41.61 3mdd s ASP 183 CO 0.38 -0.36 2.15 1.55 0.52 0.00 0.00 175.17 179.40 3mdd h PRO 184 N 8.11 0.00 -6.25 4.34 0.13 -1.90 -3.42 132.00 133.02 3mdd h PRO 184 Ca -0.20 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.37 3mdd h PRO 184 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3mdd h PRO 184 CO 0.61 0.00 1.19 0.34 -0.23 0.00 0.00 178.00 179.91 3mdd s ASP 185 N -5.25 6.33 0.59 1.44 2.15 -1.26 -4.85 116.67 115.81 3mdd s ASP 185 Ca -0.02 2.03 0.37 0.00 0.43 0.00 0.00 52.55 55.36 3mdd s ASP 185 Cb 0.11 -2.53 1.74 0.00 -0.30 0.00 0.00 42.92 41.93 3mdd s ASP 185 CO 0.45 -1.24 2.13 -0.65 -0.17 0.00 0.00 175.17 175.69 3mdd h PRO 186 N 11.06 0.00 -0.65 4.34 0.11 -2.04 -2.51 132.00 142.31 3mdd h PRO 186 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3mdd h PRO 186 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mdd h PRO 186 CO 0.97 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 180.41 3mdd n LYS 187 N -3.16 3.56 -2.76 1.05 5.02 -1.26 -4.95 118.16 115.66 3mdd n LYS 187 Ca -0.01 -2.84 -0.38 0.00 -2.02 0.00 0.00 58.31 53.06 3mdd n LYS 187 Cb 0.22 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 3mdd n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mdd s ALA 188 N -1.72 3.26 0.52 7.82 0.00 -0.95 -5.02 121.76 125.67 3mdd s ALA 188 Ca 0.50 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 3mdd s ALA 188 Cb 0.31 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 3mdd s ALA 188 CO 0.25 0.17 1.16 -2.14 0.00 0.00 0.00 175.76 175.20 3mdd s PRO 189 N -1.73 3.42 0.48 0.00 0.02 -1.26 -4.81 135.00 131.11 3mdd s PRO 189 Ca 0.47 1.72 0.16 0.00 0.02 0.00 0.00 61.00 63.37 3mdd s PRO 189 Cb -0.22 -2.13 1.17 0.00 0.02 0.00 0.00 34.50 33.34 3mdd s PRO 189 CO 0.27 -0.82 2.04 0.00 -0.33 0.00 0.00 177.00 178.17 3mdd h ALA 190 N 1.43 2.09 0.00 -1.55 0.00 -1.96 -0.71 119.26 118.55 3mdd h ALA 190 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3mdd h ALA 190 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mdd h ALA 190 CO 0.58 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 3mdd n SER 191 N -4.47 0.00 0.00 0.00 3.41 -1.26 -3.51 113.62 107.79 3mdd n SER 191 Ca 0.05 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 3mdd n SER 191 Cb 0.30 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3mdd n SER 191 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3mdd n LYS 192 N -1.42 1.99 0.09 4.33 3.00 -0.39 -4.67 118.16 121.09 3mdd n LYS 192 Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.48 3mdd n LYS 192 Cb 0.12 -0.19 0.44 0.00 0.00 0.00 0.00 35.03 35.40 3mdd n LYS 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3mdd n ALA 193 N -0.22 2.20 -2.44 3.14 0.00 -0.52 -4.04 120.51 118.63 3mdd n ALA 193 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 3mdd n ALA 193 Cb 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.88 3mdd n ALA 193 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3mdd s PHE 194 N -3.11 2.34 -0.01 0.00 0.08 -1.26 0.00 117.98 116.02 3mdd s PHE 194 Ca 0.10 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.84 3mdd s PHE 194 Cb 0.13 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 3mdd s PHE 194 CO 0.56 0.51 -0.10 0.99 -0.10 0.00 0.00 175.22 177.08 3mdd s THR 195 N -1.72 0.76 -0.18 0.64 2.01 0.33 -0.62 115.64 116.85 3mdd s THR 195 Ca 0.22 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 3mdd s THR 195 Cb -0.08 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 3mdd s THR 195 CO 0.11 0.21 0.11 -0.83 -0.69 0.00 0.00 174.62 173.52 3mdd s GLY 196 N -0.25 2.01 0.12 4.40 0.00 -1.26 -1.52 107.32 110.83 3mdd s GLY 196 Ca 0.04 -0.70 0.07 0.00 0.00 0.00 0.00 44.72 44.12 3mdd s GLY 196 CO -0.00 0.05 -0.16 -1.36 0.00 0.00 0.00 173.10 171.62 3mdd s PHE 197 N 0.19 1.54 -0.30 1.90 0.40 0.76 -1.57 117.98 120.90 3mdd s PHE 197 Ca 0.07 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 3mdd s PHE 197 Cb -0.11 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 3mdd s PHE 197 CO -0.01 0.19 0.15 0.42 0.70 0.00 0.00 175.22 176.67 3mdd s ILE 198 N -1.87 4.74 -0.18 0.64 -1.09 -0.66 -1.00 121.20 121.77 3mdd s ILE 198 Ca 0.09 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 3mdd s ILE 198 Cb -0.06 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3mdd s ILE 198 CO 0.04 0.15 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.03 3mdd s VAL 199 N 1.65 2.26 0.14 2.92 1.01 -0.59 -4.86 120.40 122.93 3mdd s VAL 199 Ca 0.06 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 3mdd s VAL 199 Cb -0.16 -1.96 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 3mdd s VAL 199 CO 0.07 0.52 1.20 -1.61 0.00 0.00 0.00 175.10 175.29 3mdd s GLU 200 N 1.30 4.47 0.60 2.72 2.02 -1.26 -0.45 118.70 128.09 3mdd s GLU 200 Ca 0.05 1.84 0.32 0.00 0.02 0.00 0.00 54.97 57.20 3mdd s GLU 200 Cb -0.13 -3.28 1.89 0.00 0.10 0.00 0.00 34.13 32.71 3mdd s GLU 200 CO -0.11 -0.16 2.26 0.00 0.02 0.00 0.00 175.26 177.27 3mdd h ALA 201 N 5.89 1.40 -0.66 5.21 0.00 -1.61 -2.94 119.26 126.54 3mdd h ALA 201 Ca -0.43 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.13 3mdd h ALA 201 Cb 1.21 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 3mdd h ALA 201 CO 0.78 0.02 0.43 -0.40 0.00 0.00 0.00 179.25 180.07 3mdd n ASP 202 N -3.68 3.52 -4.68 0.00 5.75 -1.26 -4.84 116.55 111.36 3mdd n ASP 202 Ca -0.03 -3.07 -0.38 0.00 -0.01 0.00 0.00 54.79 51.30 3mdd n ASP 202 Cb 0.10 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.39 3mdd n ASP 202 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3mdd s THR 203 N -2.21 5.20 0.18 2.12 2.01 -1.11 -5.02 115.64 116.80 3mdd s THR 203 Ca 0.38 0.76 -0.33 0.00 0.31 0.00 0.00 61.69 62.81 3mdd s THR 203 Cb 0.32 -3.75 -0.15 0.00 0.01 0.00 0.00 72.50 68.93 3mdd s THR 203 CO 0.07 0.27 1.24 -2.65 -0.69 0.00 0.00 174.62 172.86 3mdd n PRO 204 N 4.30 1.39 0.00 4.92 -0.02 -1.26 -1.39 135.00 142.94 3mdd n PRO 204 Ca -0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3mdd n PRO 204 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3mdd n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdd n GLY 205 N 2.09 2.56 3.54 -1.23 0.00 -1.26 -4.46 105.19 106.43 3mdd n GLY 205 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3mdd n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mdd s VAL 206 N -2.40 4.30 -0.45 1.61 1.01 -0.49 -0.95 120.40 123.04 3mdd s VAL 206 Ca 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 3mdd s VAL 206 Cb 0.00 -4.58 0.12 0.00 0.00 0.00 0.00 36.38 31.92 3mdd s VAL 206 CO 0.00 -1.14 0.27 -1.10 0.00 0.00 0.00 175.10 173.13 3mdd s GLN 207 N 4.19 2.20 0.04 2.72 -0.21 -0.32 -4.93 119.66 123.35 3mdd s GLN 207 Ca 0.35 -1.89 -0.30 0.00 0.02 0.00 0.00 55.36 53.54 3mdd s GLN 207 Cb -0.11 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 3mdd s GLN 207 CO 0.22 -1.12 1.05 0.42 -2.12 0.00 0.00 175.29 173.73 3mdd s ILE 208 N 1.06 4.53 0.78 1.08 1.01 -1.26 -1.07 121.20 127.34 3mdd s ILE 208 Ca 0.09 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.55 3mdd s ILE 208 Cb -0.23 -4.20 0.14 0.00 0.01 0.00 0.00 42.46 38.18 3mdd s ILE 208 CO -0.03 0.17 1.08 -0.83 0.00 0.00 0.00 174.94 175.33 3mdd s GLY 209 N 0.83 1.76 0.94 6.18 0.00 0.12 -4.99 107.32 112.16 3mdd s GLY 209 Ca 0.53 -1.54 -0.10 0.00 0.00 0.00 0.00 44.72 43.61 3mdd s GLY 209 CO 0.29 -0.93 1.08 -0.96 0.00 0.00 0.00 173.10 172.59 3mdd n ARG 210 N -3.09 -0.62 -2.61 2.90 1.85 -1.26 -4.68 116.66 109.16 3mdd n ARG 210 Ca 0.15 -0.12 -0.42 0.00 -1.00 0.00 0.00 57.85 56.46 3mdd n ARG 210 Cb 0.60 -2.32 -0.03 0.00 -1.05 0.00 0.00 32.46 29.66 3mdd n ARG 210 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3mdd s LYS 211 N -4.55 4.51 0.17 2.89 2.20 -1.26 -4.25 119.74 119.44 3mdd s LYS 211 Ca 0.66 1.54 -0.20 0.00 -0.36 0.00 0.00 55.97 57.62 3mdd s LYS 211 Cb -0.23 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 3mdd s LYS 211 CO 0.59 -0.14 0.67 -1.21 -0.36 0.00 0.00 175.35 174.91 3mdd s GLU 212 N 1.09 4.27 -0.38 4.03 0.41 -0.25 -5.04 118.70 122.83 3mdd s GLU 212 Ca 0.54 0.85 -0.13 0.00 -0.41 0.00 0.00 54.97 55.82 3mdd s GLU 212 Cb -0.24 -3.05 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 3mdd s GLU 212 CO 0.28 0.50 0.25 0.42 -0.49 0.00 0.00 175.26 176.22 3mdd s ILE 213 N -1.34 4.98 0.37 -1.63 -1.09 -1.26 -4.68 121.20 116.55 3mdd s ILE 213 Ca 0.37 -0.63 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 3mdd s ILE 213 Cb -0.18 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 3mdd s ILE 213 CO 0.21 -0.20 0.13 0.20 -1.23 0.00 0.00 174.94 174.05 3mdd s ASN 214 N 1.64 4.44 0.14 3.58 0.01 -1.26 -5.05 114.94 118.44 3mdd s ASN 214 Ca 0.04 -0.97 -0.17 0.00 -0.71 0.00 0.00 52.86 51.05 3mdd s ASN 214 Cb -0.19 -0.56 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 3mdd s ASN 214 CO 0.09 -0.40 1.80 -0.03 -1.51 0.00 0.00 177.10 177.05 3mdd h MET 215 N 1.55 0.43 -5.25 -0.60 1.85 -1.98 -3.44 114.93 107.49 3mdd h MET 215 Ca -0.43 -0.03 -0.54 0.00 -0.61 0.00 0.00 59.70 58.09 3mdd h MET 215 Cb 1.25 -0.10 -0.13 0.00 0.43 0.00 0.00 31.60 33.05 3mdd h MET 215 CO 0.67 0.28 -0.57 0.20 -0.40 0.00 0.00 176.91 177.09 3mdd s GLY 216 N -2.50 2.38 -1.51 1.39 0.00 -1.25 -4.80 107.32 101.03 3mdd s GLY 216 Ca -0.13 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 42.85 3mdd s GLY 216 CO 0.71 -1.91 0.32 -1.06 0.00 0.00 0.00 173.10 171.16 3mdd n GLN 217 N -0.85 -2.33 0.00 2.90 6.02 -1.26 -4.83 117.38 117.03 3mdd n GLN 217 Ca -0.06 0.28 0.05 0.00 -0.01 0.00 0.00 57.00 57.26 3mdd n GLN 217 Cb 0.66 -4.27 0.21 0.00 1.02 0.00 0.00 30.24 27.87 3mdd n GLN 217 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3mdd n ARG 218 N -4.45 0.02 0.00 -1.09 1.74 -1.26 -2.13 116.66 109.48 3mdd n ARG 218 Ca -0.26 0.32 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 3mdd n ARG 218 Cb 0.66 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.79 3mdd n ARG 218 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mdd s SER 220 N -2.91 7.06 -0.45 0.00 0.15 -0.91 -4.18 113.70 112.46 3mdd s SER 220 Ca 0.13 2.11 -0.20 0.00 0.70 0.00 0.00 55.95 58.69 3mdd s SER 220 Cb 0.17 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3mdd s SER 220 CO 0.70 -0.28 0.61 -0.62 1.20 0.00 0.00 173.24 174.85 3mdd s ASP 221 N -1.26 6.29 -0.18 5.45 2.15 -1.26 -4.99 116.67 122.86 3mdd s ASP 221 Ca 0.51 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3mdd s ASP 221 Cb -0.26 -2.30 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 3mdd s ASP 221 CO 0.33 -0.77 -0.17 -0.89 -0.17 0.00 0.00 175.17 173.51 3mdd s THR 222 N 2.70 2.34 0.18 1.71 2.01 -1.26 0.34 115.64 123.66 3mdd s THR 222 Ca 0.20 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 3mdd s THR 222 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3mdd s THR 222 CO 0.17 0.52 0.12 -0.13 -0.69 0.00 0.00 174.62 174.61 3mdd s ARG 223 N 1.26 1.11 -0.11 4.92 0.52 -0.63 -1.09 118.95 124.93 3mdd s ARG 223 Ca 0.04 -1.54 -0.03 0.00 -0.52 0.00 0.00 55.73 53.67 3mdd s ARG 223 Cb -0.14 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.57 3mdd s ARG 223 CO -0.10 -0.35 0.01 0.20 0.02 0.00 0.00 175.30 175.09 3mdd s GLY 224 N -3.11 1.87 -0.04 -3.53 0.00 -1.26 -0.22 107.32 101.02 3mdd s GLY 224 Ca 0.33 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.28 3mdd s GLY 224 CO 0.08 -0.42 -0.08 -0.42 0.00 0.00 0.00 173.10 172.26 3mdd s ILE 225 N -0.59 0.78 -0.05 0.90 1.01 -0.55 0.11 121.20 122.81 3mdd s ILE 225 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3mdd s ILE 225 Cb -0.12 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 3mdd s ILE 225 CO 0.02 0.26 0.04 -0.69 0.00 0.00 0.00 174.94 174.57 3mdd s VAL 226 N 0.50 4.55 -0.27 2.92 1.01 -0.23 -0.02 120.40 128.86 3mdd s VAL 226 Ca -0.08 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3mdd s VAL 226 Cb -0.12 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.33 3mdd s VAL 226 CO 0.01 0.49 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 3mdd s PHE 227 N -1.03 3.26 -0.29 5.22 0.40 0.24 -1.18 117.98 124.60 3mdd s PHE 227 Ca 0.18 -2.37 -0.02 0.00 -0.60 0.00 0.00 56.93 54.12 3mdd s PHE 227 Cb -0.12 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.43 3mdd s PHE 227 CO 0.07 -0.88 -0.02 -1.21 0.70 0.00 0.00 175.22 173.88 3mdd s GLU 228 N 1.10 2.51 -1.51 0.44 2.02 -0.12 -1.46 118.70 121.68 3mdd s GLU 228 Ca -0.06 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 53.69 3mdd s GLU 228 Cb -0.20 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 30.94 3mdd s GLU 228 CO -0.06 -0.57 0.33 -0.25 0.02 0.00 0.00 175.26 174.73 3mdd n ASP 229 N 4.62 -0.30 -4.66 -0.19 8.00 -1.16 -4.16 116.55 118.71 3mdd n ASP 229 Ca -0.14 -1.11 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 3mdd n ASP 229 Cb 0.44 -2.45 -0.02 0.00 -0.02 0.00 0.00 41.12 39.07 3mdd n ASP 229 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mdd s VAL 230 N -3.99 4.45 -0.15 2.53 1.01 -0.23 -4.80 120.40 119.21 3mdd s VAL 230 Ca 0.13 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 3mdd s VAL 230 Cb -0.07 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3mdd s VAL 230 CO 0.94 -0.18 0.49 -0.13 0.00 0.00 0.00 175.10 176.22 3mdd s ARG 231 N 3.41 4.28 -0.09 2.72 0.52 -1.26 0.11 118.95 128.63 3mdd s ARG 231 Ca 0.50 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 3mdd s ARG 231 Cb -0.18 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 31.81 3mdd s ARG 231 CO 0.11 0.03 -0.14 0.08 0.02 0.00 0.00 175.30 175.41 3mdd s VAL 232 N 1.04 1.32 0.46 3.52 1.01 0.34 -4.97 120.40 123.12 3mdd s VAL 232 Ca 0.25 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 3mdd s VAL 232 Cb -0.15 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 3mdd s VAL 232 CO 0.10 0.40 1.43 -2.16 0.00 0.00 0.00 175.10 174.87 3mdd s PRO 233 N 0.88 3.62 0.50 2.72 0.04 -1.26 -0.76 135.00 140.74 3mdd s PRO 233 Ca -0.10 2.41 0.19 0.00 0.04 0.00 0.00 61.00 63.54 3mdd s PRO 233 Cb -0.15 -2.61 1.24 0.00 0.04 0.00 0.00 34.50 33.01 3mdd s PRO 233 CO 0.01 -0.87 2.04 1.57 0.04 0.00 0.00 177.00 179.80 3mdd h LYS 234 N 2.23 0.13 0.00 4.56 5.09 -1.51 0.27 116.57 127.34 3mdd h LYS 234 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.22 3mdd h LYS 234 Cb 1.27 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.57 3mdd h LYS 234 CO 0.61 0.08 0.00 -0.85 -2.09 0.00 0.00 179.45 177.20 3mdd n GLU 235 N -4.46 0.12 0.00 0.07 0.00 -1.26 -1.71 120.64 113.41 3mdd n GLU 235 Ca 0.05 0.49 0.13 0.00 0.00 0.00 0.00 57.16 57.83 3mdd n GLU 235 Cb 0.36 -1.81 0.35 0.00 0.00 0.00 0.00 31.44 30.34 3mdd n GLU 235 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3mdd n ASN 236 N -2.05 0.68 -4.70 -1.84 5.03 0.08 -4.83 115.26 107.62 3mdd n ASN 236 Ca 0.01 -0.50 -0.42 0.00 0.87 0.00 0.00 54.58 54.54 3mdd n ASN 236 Cb 0.12 0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.99 3mdd n ASN 236 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3mdd s VAL 237 N -2.75 3.11 0.00 2.41 1.01 -0.69 -1.66 120.40 121.83 3mdd s VAL 237 Ca 0.18 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3mdd s VAL 237 Cb 0.18 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3mdd s VAL 237 CO 0.60 0.03 0.73 0.18 0.00 0.00 0.00 175.10 176.64 3mdd n LEU 238 N 4.75 0.11 -0.08 3.92 4.77 -0.61 -4.60 117.00 125.26 3mdd n LEU 238 Ca 0.14 0.77 -0.10 0.00 -0.03 0.00 0.00 56.01 56.79 3mdd n LEU 238 Cb 0.41 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3mdd n LEU 238 CO 0.61 -0.32 -1.00 0.41 -1.33 0.00 0.00 177.39 175.76 3mdd n THR 239 N -1.45 0.92 0.00 -5.08 -1.04 -1.08 -4.37 114.28 102.18 3mdd n THR 239 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3mdd n THR 239 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 3mdd n THR 239 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mdd n GLY 240 N 2.57 2.07 3.73 3.41 0.00 -1.26 -5.04 105.19 110.67 3mdd n GLY 240 Ca -0.27 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3mdd n GLY 240 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mdd s GLU 241 N -2.00 4.12 0.00 1.61 2.02 -1.26 -2.24 118.70 120.95 3mdd s GLU 241 Ca 0.00 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.59 3mdd s GLU 241 Cb 0.00 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.17 3mdd s GLU 241 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 174.97 3mdd n GLY 242 N 3.48 2.47 0.68 -1.39 0.00 -0.96 -4.91 105.19 104.56 3mdd n GLY 242 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3mdd n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdd n ALA 243 N -0.98 2.60 -0.14 4.61 0.00 -0.95 -3.89 120.51 121.76 3mdd n ALA 243 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 3mdd n ALA 243 Cb 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.52 3mdd n ALA 243 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mdd h GLY 244 N 5.17 0.98 1.33 0.00 0.00 -1.07 -2.88 103.07 106.59 3mdd h GLY 244 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 3mdd h GLY 244 CO 0.05 0.71 -0.27 -2.75 0.00 0.00 0.00 176.54 174.28 3mdd h PHE 245 N 0.81 0.88 -0.53 5.60 3.57 -1.75 -1.80 116.94 123.71 3mdd h PHE 245 Ca 0.13 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 3mdd h PHE 245 Cb 0.65 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3mdd h PHE 245 CO 0.04 0.95 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.83 3mdd h LYS 246 N 0.66 0.96 -0.36 1.11 3.11 -1.85 -2.22 116.57 117.97 3mdd h LYS 246 Ca 0.08 -0.32 -0.05 0.00 -2.81 0.00 0.00 60.65 57.56 3mdd h LYS 246 Cb 0.79 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 3mdd h LYS 246 CO 0.07 0.98 0.05 0.82 -2.81 0.00 0.00 179.45 178.55 3mdd h ILE 247 N 0.83 1.24 0.10 2.00 2.04 -1.36 -1.57 117.51 120.79 3mdd h ILE 247 Ca 0.15 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3mdd h ILE 247 Cb 0.56 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3mdd h ILE 247 CO 0.03 0.29 -0.08 0.00 0.00 0.00 0.00 178.15 178.39 3mdd h ALA 248 N 0.90 -0.17 -0.24 1.87 0.00 -1.26 -1.98 119.26 118.37 3mdd h ALA 248 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mdd h ALA 248 Cb 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3mdd h ALA 248 CO 0.01 -0.61 0.07 0.52 0.00 0.00 0.00 179.25 179.24 3mdd h MET 249 N -0.20 0.38 -0.31 0.00 2.86 -1.39 -2.80 114.93 113.48 3mdd h MET 249 Ca -0.00 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3mdd h MET 249 Cb 0.18 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3mdd h MET 249 CO -0.01 0.47 0.21 0.78 1.06 0.00 0.00 176.91 179.41 3mdd h GLY 250 N 0.22 0.30 0.96 8.32 0.00 -1.23 -2.58 103.07 109.07 3mdd h GLY 250 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.31 3mdd h GLY 250 CO -0.00 0.09 0.11 -0.84 0.00 0.00 0.00 176.54 175.90 3mdd h THR 251 N 0.26 1.02 -0.90 4.70 2.02 -1.08 -3.10 112.91 115.84 3mdd h THR 251 Ca 0.13 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.33 3mdd h THR 251 Cb 0.19 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 3mdd h THR 251 CO -0.03 0.04 0.54 -0.26 0.37 0.00 0.00 175.52 176.19 3mdd h PHE 252 N 0.24 0.98 -0.96 3.16 0.04 -1.45 -1.23 116.94 117.72 3mdd h PHE 252 Ca 0.08 0.03 0.19 0.00 2.80 0.00 0.00 57.97 61.06 3mdd h PHE 252 Cb -0.01 -0.31 -0.11 0.00 2.20 0.00 0.00 35.95 37.73 3mdd h PHE 252 CO -0.08 0.40 0.56 -0.44 -0.60 0.00 0.00 178.31 178.16 3mdd h ASP 253 N 0.89 0.70 0.40 2.17 3.32 -1.62 0.32 116.42 122.60 3mdd h ASP 253 Ca 0.43 0.10 -0.32 0.00 0.02 0.00 0.00 57.03 57.27 3mdd h ASP 253 Cb 0.39 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3mdd h ASP 253 CO -0.25 0.24 -1.59 0.11 -1.72 0.00 0.00 179.24 176.03 3mdd h LYS 254 N 0.70 0.27 0.00 3.56 1.57 -1.48 -3.40 116.57 117.80 3mdd h LYS 254 Ca 0.56 -0.46 -0.26 0.00 -1.87 0.00 0.00 60.65 58.61 3mdd h LYS 254 Cb 0.87 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 3mdd h LYS 254 CO -0.39 1.14 -1.46 1.79 -0.57 0.00 0.00 179.45 179.96 3mdd h THR 255 N 0.07 1.16 0.04 -0.16 1.35 -0.64 -3.40 112.91 111.34 3mdd h THR 255 Ca -0.27 -2.96 -0.00 0.00 -0.55 0.00 0.00 66.41 62.63 3mdd h THR 255 Cb 2.03 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 71.03 3mdd h THR 255 CO 0.16 0.67 -0.02 -0.09 -0.25 0.00 0.00 175.52 175.99 3mdd h ARG 256 N 0.00 -0.05 -0.54 4.72 2.43 -0.59 -2.69 114.38 117.66 3mdd h ARG 256 Ca -0.19 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.08 3mdd h ARG 256 Cb 1.93 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 31.41 3mdd h ARG 256 CO 0.10 0.02 0.10 -1.35 -1.51 0.00 0.00 179.97 177.33 3mdd h PRO 257 N -0.11 0.23 -0.27 0.20 0.11 -1.79 -1.28 132.00 129.09 3mdd h PRO 257 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3mdd h PRO 257 Cb 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3mdd h PRO 257 CO 0.01 0.15 0.16 -1.35 -0.21 0.00 0.00 178.00 176.76 3mdd h PRO 258 N 0.24 0.36 -0.00 1.05 0.11 -1.75 -1.02 132.00 130.99 3mdd h PRO 258 Ca 0.27 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.22 3mdd h PRO 258 Cb 0.38 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3mdd h PRO 258 CO -0.36 0.26 -0.64 -0.24 -0.21 0.00 0.00 178.00 176.81 3mdd h VAL 259 N 0.37 1.46 -0.34 3.15 3.04 -0.93 -2.66 116.25 120.34 3mdd h VAL 259 Ca 0.10 -2.19 -0.08 0.00 -1.01 0.00 0.00 66.70 63.52 3mdd h VAL 259 Cb -0.00 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 3mdd h VAL 259 CO -0.02 0.63 -0.11 0.00 -1.01 0.00 0.00 177.57 177.06 3mdd h ALA 260 N 1.35 0.47 -0.93 3.17 0.00 -0.30 -3.01 119.26 120.01 3mdd h ALA 260 Ca -0.01 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.67 3mdd h ALA 260 Cb 1.14 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3mdd h ALA 260 CO 0.08 0.34 0.58 0.00 0.00 0.00 0.00 179.25 180.25 3mdd h ALA 261 N 0.80 1.32 -0.31 0.00 0.00 -1.23 -1.55 119.26 118.29 3mdd h ALA 261 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3mdd h ALA 261 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3mdd h ALA 261 CO 0.04 0.30 -0.06 0.78 0.00 0.00 0.00 179.25 180.31 3mdd h GLY 262 N 1.02 0.53 1.79 0.00 0.00 -1.37 -1.28 103.07 103.75 3mdd h GLY 262 Ca 0.42 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 3mdd h GLY 262 CO -0.20 0.31 -0.58 0.00 0.00 0.00 0.00 176.54 176.07 3mdd h ALA 263 N 1.48 0.90 -0.31 3.60 0.00 -1.18 -2.71 119.26 121.03 3mdd h ALA 263 Ca 0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 3mdd h ALA 263 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3mdd h ALA 263 CO 0.02 0.71 -0.51 0.28 0.00 0.00 0.00 179.25 179.75 3mdd h VAL 264 N 0.17 1.27 -0.68 0.00 2.07 -0.73 -1.47 116.25 116.87 3mdd h VAL 264 Ca -0.00 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 3mdd h VAL 264 Cb 1.06 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 3mdd h VAL 264 CO 0.09 0.56 0.31 1.23 0.02 0.00 0.00 177.57 179.78 3mdd h GLY 265 N 0.69 1.05 0.65 2.17 0.00 -1.17 0.35 103.07 106.81 3mdd h GLY 265 Ca 0.02 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3mdd h GLY 265 CO 0.12 0.49 -0.02 -2.00 0.00 0.00 0.00 176.54 175.12 3mdd h LEU 266 N 0.97 -0.06 -0.82 3.11 5.85 -1.36 -0.98 115.31 122.03 3mdd h LEU 266 Ca 0.24 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3mdd h LEU 266 Cb 0.12 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3mdd h LEU 266 CO -0.03 0.30 0.49 0.00 -0.34 0.00 0.00 178.44 178.86 3mdd h ALA 267 N 0.51 1.14 -0.56 1.25 0.00 -0.85 -0.88 119.26 119.86 3mdd h ALA 267 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3mdd h ALA 267 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3mdd h ALA 267 CO 0.01 0.17 -0.07 0.37 0.00 0.00 0.00 179.25 179.73 3mdd h GLN 268 N 0.86 1.02 -0.02 0.00 5.75 -0.25 -1.94 115.11 120.53 3mdd h GLN 268 Ca 0.37 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3mdd h GLN 268 Cb 0.25 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 3mdd h GLN 268 CO -0.20 1.04 0.01 -0.09 -2.65 0.00 0.00 178.83 176.94 3mdd h ARG 269 N 0.92 0.02 -0.52 1.69 9.65 -0.32 -1.33 114.38 124.49 3mdd h ARG 269 Ca 0.15 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 3mdd h ARG 269 Cb 0.63 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.14 3mdd h ARG 269 CO 0.04 0.05 0.16 0.00 2.80 0.00 0.00 179.97 183.02 3mdd h ALA 270 N 0.97 0.62 0.03 2.80 0.00 -1.01 -1.95 119.26 120.72 3mdd h ALA 270 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mdd h ALA 270 Cb 0.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mdd h ALA 270 CO -0.00 -0.24 -0.01 1.25 0.00 0.00 0.00 179.25 180.24 3mdd h LEU 271 N 0.32 -0.03 -0.37 0.00 5.85 -1.13 -1.77 115.31 118.18 3mdd h LEU 271 Ca 0.25 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3mdd h LEU 271 Cb 0.30 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3mdd h LEU 271 CO -0.28 0.07 -0.02 0.44 -0.34 0.00 0.00 178.44 178.31 3mdd h ASP 272 N -0.13 -0.18 -0.57 1.25 5.19 -0.92 0.03 116.42 121.10 3mdd h ASP 272 Ca -0.00 0.09 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 3mdd h ASP 272 Cb 0.12 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 3mdd h ASP 272 CO 0.01 -0.05 0.07 -0.33 -3.12 0.00 0.00 179.24 175.81 3mdd h GLU 273 N 0.08 0.99 -0.16 3.56 4.39 -1.28 -1.16 114.58 121.00 3mdd h GLU 273 Ca 0.18 -0.26 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 3mdd h GLU 273 Cb 0.25 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3mdd h GLU 273 CO -0.31 0.93 -0.57 0.00 -1.16 0.00 0.00 179.01 177.89 3mdd h ALA 274 N 1.15 0.71 -0.09 3.43 0.00 -0.95 -2.65 119.26 120.86 3mdd h ALA 274 Ca 0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3mdd h ALA 274 Cb 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mdd h ALA 274 CO 0.01 0.70 -0.14 1.15 0.00 0.00 0.00 179.25 180.97 3mdd h THR 275 N 0.38 1.38 -0.16 0.00 2.02 -0.83 -0.84 112.91 114.86 3mdd h THR 275 Ca 0.00 -1.38 0.05 0.00 0.77 0.00 0.00 66.41 65.86 3mdd h THR 275 Cb 1.11 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 69.53 3mdd h THR 275 CO 0.10 0.39 -0.26 0.11 0.37 0.00 0.00 175.52 176.23 3mdd h LYS 276 N -0.18 -0.31 -0.74 6.66 6.56 -1.23 -2.16 116.57 125.17 3mdd h LYS 276 Ca 0.01 0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.57 3mdd h LYS 276 Cb 0.70 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.39 3mdd h LYS 276 CO 0.03 -0.20 0.25 -0.92 -2.06 0.00 0.00 179.45 176.55 3mdd h TYR 277 N -0.32 1.16 0.00 -1.35 3.20 -1.48 -2.77 116.97 115.41 3mdd h TYR 277 Ca 0.11 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3mdd h TYR 277 Cb 0.48 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3mdd h TYR 277 CO -0.37 0.91 0.00 0.00 -1.64 0.00 0.00 178.16 177.05 3mdd h ALA 278 N 1.18 1.00 -0.54 1.82 0.00 -0.77 -1.52 119.26 120.43 3mdd h ALA 278 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3mdd h ALA 278 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mdd h ALA 278 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 3mdd n LEU 279 N -2.53 3.86 0.09 0.00 4.32 -0.85 -0.59 117.00 121.29 3mdd n LEU 279 Ca 0.01 -2.23 0.00 0.00 -0.02 0.00 0.00 56.01 53.78 3mdd n LEU 279 Cb 0.25 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 3mdd n LEU 279 CO 0.22 0.83 0.00 1.21 -1.22 0.00 0.00 177.39 178.43 3mdd n GLU 280 N 0.93 0.00 -1.98 3.23 2.13 -0.84 -5.04 120.64 119.06 3mdd n GLU 280 Ca 0.20 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.62 3mdd n GLU 280 Cb 0.66 -0.27 -0.00 0.00 0.27 0.00 0.00 31.44 32.10 3mdd n GLU 280 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3mdd s ARG 281 N -1.94 4.01 -0.00 5.31 6.06 -0.63 -4.93 118.95 126.82 3mdd s ARG 281 Ca 0.00 2.28 0.06 0.00 -2.50 0.00 0.00 55.73 55.57 3mdd s ARG 281 Cb 0.00 -2.83 -0.02 0.00 0.06 0.00 0.00 34.95 32.17 3mdd s ARG 281 CO 0.00 -0.50 -0.19 0.15 -2.50 0.00 0.00 175.30 172.26 3mdd s LYS 282 N -2.17 1.45 -0.10 5.12 1.02 -1.26 -1.57 119.74 122.23 3mdd s LYS 282 Ca 0.55 -0.71 -0.08 0.00 0.02 0.00 0.00 55.97 55.75 3mdd s LYS 282 Cb -0.41 -1.43 0.03 0.00 -0.52 0.00 0.00 37.83 35.50 3mdd s LYS 282 CO 0.53 0.39 0.25 0.95 -0.92 0.00 0.00 175.35 176.55 3mdd s THR 283 N -0.51 -0.01 -1.44 2.17 -4.23 -0.23 -4.88 115.64 106.52 3mdd s THR 283 Ca 0.07 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.51 3mdd s THR 283 Cb -0.07 -0.36 0.05 0.00 1.34 0.00 0.00 72.50 73.45 3mdd s THR 283 CO -0.00 0.01 0.68 0.49 -0.54 0.00 0.00 174.62 175.26 3mdd n PHE 284 N 3.13 -2.04 -0.90 3.99 3.72 -1.26 -1.76 117.46 122.34 3mdd n PHE 284 Ca -0.14 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 3mdd n PHE 284 Cb 0.58 -3.84 0.00 0.00 -0.94 0.00 0.00 39.48 35.28 3mdd n PHE 284 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mdd n GLY 285 N -1.46 0.75 3.32 1.37 0.00 -1.26 -5.01 105.19 102.90 3mdd n GLY 285 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3mdd n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mdd s LYS 286 N -0.24 1.25 0.53 1.61 1.02 -0.72 -5.11 119.74 118.08 3mdd s LYS 286 Ca 0.00 -1.39 -0.22 0.00 0.02 0.00 0.00 55.97 54.38 3mdd s LYS 286 Cb 0.00 -1.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.96 3mdd s LYS 286 CO 0.00 0.26 1.31 1.28 -0.92 0.00 0.00 175.35 177.28 3mdd n LEU 287 N 0.32 5.15 -0.31 3.17 4.32 -1.26 -1.07 117.00 127.33 3mdd n LEU 287 Ca -0.13 0.98 0.08 0.00 -0.02 0.00 0.00 56.01 56.91 3mdd n LEU 287 Cb 0.57 -1.55 0.23 0.00 -1.62 0.00 0.00 43.42 41.05 3mdd n LEU 287 CO 0.29 -0.70 1.13 -0.07 -1.22 0.00 0.00 177.39 176.82 3mdd h LEU 288 N 1.45 0.63 0.00 2.23 4.07 -1.11 0.12 115.31 122.70 3mdd h LEU 288 Ca -0.50 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3mdd h LEU 288 Cb 1.31 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3mdd h LEU 288 CO 0.57 0.28 0.00 0.00 -1.08 0.00 0.00 178.44 178.20 3mdd n ALA 289 N -2.40 1.58 1.00 1.53 0.00 0.24 -1.93 120.51 120.53 3mdd n ALA 289 Ca 0.18 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3mdd n ALA 289 Cb 0.43 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.79 3mdd n ALA 289 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mdd n GLU 290 N -1.44 0.01 -2.82 0.00 1.02 0.41 -4.33 120.64 113.49 3mdd n GLU 290 Ca 0.04 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 3mdd n GLU 290 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3mdd n GLU 290 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mdd s HIS 291 N -3.00 3.20 0.35 -0.32 3.76 -0.81 -4.91 115.29 113.56 3mdd s HIS 291 Ca 0.10 1.00 0.12 0.00 -0.15 0.00 0.00 55.06 56.12 3mdd s HIS 291 Cb 0.17 -3.37 0.91 0.00 1.11 0.00 0.00 32.58 31.40 3mdd s HIS 291 CO 0.77 -0.62 1.79 0.37 -0.85 0.00 0.00 174.74 176.20 3mdd h GLN 292 N 8.04 0.57 -0.68 1.40 4.15 -1.87 0.17 115.11 126.90 3mdd h GLN 292 Ca -0.23 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.26 3mdd h GLN 292 Cb 1.08 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.57 3mdd h GLN 292 CO 0.94 0.38 0.31 0.78 -1.93 0.00 0.00 178.83 179.31 3mdd h GLY 293 N 0.59 1.01 0.61 2.39 0.00 -1.93 -1.35 103.07 104.39 3mdd h GLY 293 Ca 0.56 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.60 3mdd h GLY 293 CO -0.32 0.01 -0.48 -2.22 0.00 0.00 0.00 176.54 173.53 3mdd h ILE 294 N 0.52 1.50 -0.58 2.60 1.08 -0.97 -3.12 117.51 118.54 3mdd h ILE 294 Ca 0.35 -2.12 0.10 0.00 -0.39 0.00 0.00 64.86 62.80 3mdd h ILE 294 Cb 0.41 2.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.93 3mdd h ILE 294 CO -0.30 0.60 0.39 0.77 -0.69 0.00 0.00 178.15 178.92 3mdd h SER 295 N -0.34 0.31 -0.08 1.72 4.64 -0.89 -0.47 113.55 118.44 3mdd h SER 295 Ca -0.07 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 3mdd h SER 295 Cb 1.24 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mdd h SER 295 CO 0.09 0.19 -0.57 -0.26 -0.87 0.00 0.00 176.83 175.41 3mdd h PHE 296 N 0.35 0.85 -0.06 4.77 -1.00 -1.33 -2.23 116.94 118.29 3mdd h PHE 296 Ca 0.27 -0.31 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 3mdd h PHE 296 Cb 0.60 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 3mdd h PHE 296 CO -0.00 1.08 0.02 1.25 -1.61 0.00 0.00 178.31 179.05 3mdd h LEU 297 N 0.51 0.08 -0.89 1.54 5.85 -1.06 -1.80 115.31 119.54 3mdd h LEU 297 Ca 0.01 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3mdd h LEU 297 Cb 1.14 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3mdd h LEU 297 CO 0.11 0.21 0.52 -0.07 -0.34 0.00 0.00 178.44 178.88 3mdd h LEU 298 N -0.06 1.08 -0.41 2.25 4.07 -1.27 -0.90 115.31 120.07 3mdd h LEU 298 Ca 0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 3mdd h LEU 298 Cb 0.16 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3mdd h LEU 298 CO -0.00 0.84 0.10 0.00 -1.08 0.00 0.00 178.44 178.30 3mdd h ALA 299 N 1.28 0.54 -0.39 1.53 0.00 -1.28 0.05 119.26 121.00 3mdd h ALA 299 Ca 0.32 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3mdd h ALA 299 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3mdd h ALA 299 CO -0.06 0.22 -0.12 -0.44 0.00 0.00 0.00 179.25 178.86 3mdd h ASP 300 N 0.53 0.68 -0.18 0.00 3.32 -1.07 -0.19 116.42 119.50 3mdd h ASP 300 Ca 0.13 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3mdd h ASP 300 Cb 0.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3mdd h ASP 300 CO 0.00 0.82 0.11 0.24 -1.72 0.00 0.00 179.24 178.69 3mdd h MET 301 N 0.63 0.25 -0.64 3.56 2.86 -0.85 -2.57 114.93 118.16 3mdd h MET 301 Ca 0.11 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3mdd h MET 301 Cb 0.56 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3mdd h MET 301 CO 0.04 0.21 0.10 0.00 1.06 0.00 0.00 176.91 178.32 3mdd h ALA 302 N 1.03 0.96 -0.06 6.32 0.00 -0.55 -2.77 119.26 124.19 3mdd h ALA 302 Ca 0.07 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3mdd h ALA 302 Cb 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3mdd h ALA 302 CO -0.01 0.65 -0.24 1.98 0.00 0.00 0.00 179.25 181.63 3mdd h MET 303 N 0.99 -0.33 -0.84 0.00 -1.53 -0.85 -2.78 114.93 109.59 3mdd h MET 303 Ca 0.20 0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.45 3mdd h MET 303 Cb 0.43 0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.51 3mdd h MET 303 CO 0.01 -0.22 0.41 0.87 0.14 0.00 0.00 176.91 178.12 3mdd h LYS 304 N -0.34 1.21 -0.00 0.39 1.57 -1.36 -2.16 116.57 115.87 3mdd h LYS 304 Ca 0.08 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mdd h LYS 304 Cb 0.45 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3mdd h LYS 304 CO -0.26 0.92 0.00 0.28 -0.57 0.00 0.00 179.45 179.83 3mdd h VAL 305 N 1.20 1.06 -0.98 0.50 2.07 -1.30 -1.56 116.25 117.24 3mdd h VAL 305 Ca 0.29 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.65 3mdd h VAL 305 Cb 0.11 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3mdd h VAL 305 CO -0.04 0.04 0.65 -0.33 0.02 0.00 0.00 177.57 177.92 3mdd h GLU 306 N -0.07 1.29 -0.26 1.57 4.39 -1.39 -1.09 114.58 119.02 3mdd h GLU 306 Ca 0.00 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3mdd h GLU 306 Cb 0.07 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3mdd h GLU 306 CO -0.00 0.85 0.01 -0.07 -1.16 0.00 0.00 179.01 178.64 3mdd h LEU 307 N 1.33 0.43 -0.87 1.33 4.07 -1.22 -2.36 115.31 118.02 3mdd h LEU 307 Ca 0.36 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 3mdd h LEU 307 Cb -0.15 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.43 3mdd h LEU 307 CO -0.08 0.62 0.36 0.00 -1.08 0.00 0.00 178.44 178.26 3mdd h ALA 308 N 0.83 1.11 -0.48 1.53 0.00 -1.02 -1.99 119.26 119.23 3mdd h ALA 308 Ca 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3mdd h ALA 308 Cb 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3mdd h ALA 308 CO 0.01 0.66 0.15 -0.09 0.00 0.00 0.00 179.25 179.98 3mdd h ARG 309 N 1.17 0.74 -0.34 0.00 2.43 -1.14 -2.87 114.38 114.37 3mdd h ARG 309 Ca 0.28 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3mdd h ARG 309 Cb 0.16 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3mdd h ARG 309 CO -0.03 0.71 0.17 -0.07 -1.51 0.00 0.00 179.97 179.23 3mdd h LEU 310 N 0.64 0.25 -0.99 3.80 4.07 -1.07 -2.70 115.31 119.30 3mdd h LEU 310 Ca 0.15 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.16 3mdd h LEU 310 Cb 0.27 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3mdd h LEU 310 CO -0.00 0.18 0.65 0.77 -1.08 0.00 0.00 178.44 178.96 3mdd h SER 311 N 0.35 1.10 0.55 -0.43 4.64 -1.22 -1.03 113.55 117.51 3mdd h SER 311 Ca 0.14 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.25 3mdd h SER 311 Cb 0.05 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3mdd h SER 311 CO -0.10 0.77 -0.86 0.10 -0.87 0.00 0.00 176.83 175.87 3mdd h TYR 312 N 1.29 0.31 -0.48 4.77 -0.00 -1.43 -2.71 116.97 118.72 3mdd h TYR 312 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 58.73 58.94 3mdd h TYR 312 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 36.73 36.61 3mdd h TYR 312 CO -0.00 0.97 0.27 1.96 -0.00 0.00 0.00 178.16 181.35 3mdd h GLN 313 N 0.12 0.67 -0.34 0.10 4.20 -1.10 0.23 115.11 118.99 3mdd h GLN 313 Ca -0.04 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3mdd h GLN 313 Cb 1.48 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 3mdd h GLN 313 CO 0.13 0.52 0.15 -0.09 -0.67 0.00 0.00 178.83 178.87 3mdd h ARG 314 N 0.63 0.50 -0.35 1.46 9.65 -1.20 -0.60 114.38 124.47 3mdd h ARG 314 Ca 0.17 -0.08 -0.11 0.00 -1.10 0.00 0.00 59.98 58.86 3mdd h ARG 314 Cb 0.04 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3mdd h ARG 314 CO -0.03 0.47 -0.22 0.00 2.80 0.00 0.00 179.97 182.99 3mdd h ALA 315 N 1.00 0.96 -0.08 2.80 0.00 -1.28 -2.83 119.26 119.83 3mdd h ALA 315 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3mdd h ALA 315 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mdd h ALA 315 CO -0.01 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.72 3mdd h ALA 316 N 1.16 0.12 -1.01 0.00 0.00 -0.82 -3.06 119.26 115.65 3mdd h ALA 316 Ca 0.09 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3mdd h ALA 316 Cb 0.70 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3mdd h ALA 316 CO 0.05 -0.01 0.65 2.35 0.00 0.00 0.00 179.25 182.29 3mdd h TRP 317 N -0.24 1.20 0.22 0.00 7.01 -1.10 -1.35 115.95 121.69 3mdd h TRP 317 Ca 0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3mdd h TRP 317 Cb 0.68 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3mdd h TRP 317 CO 0.10 0.61 -0.19 1.49 -2.79 0.00 0.00 178.44 177.67 3mdd h GLU 318 N 1.17 -0.41 -0.40 2.65 4.57 -1.53 0.10 114.58 120.73 3mdd h GLU 318 Ca 0.44 0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.50 3mdd h GLU 318 Cb 0.19 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3mdd h GLU 318 CO -0.18 -0.28 -0.33 0.97 -1.18 0.00 0.00 179.01 178.02 3mdd h ILE 319 N -0.43 1.27 0.00 2.32 6.09 -1.41 -2.24 117.51 123.12 3mdd h ILE 319 Ca -0.01 -1.50 -0.01 0.00 -1.37 0.00 0.00 64.86 61.98 3mdd h ILE 319 Cb 0.39 1.31 -0.00 0.00 0.47 0.00 0.00 36.82 38.99 3mdd h ILE 319 CO -0.02 0.50 -0.05 0.44 -3.07 0.00 0.00 178.15 175.95 3mdd h ASP 320 N 0.76 0.00 0.05 2.19 3.32 -1.10 0.27 116.42 121.90 3mdd h ASP 320 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3mdd h ASP 320 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3mdd h ASP 320 CO 0.08 0.05 -0.01 -1.20 -1.72 0.00 0.00 179.24 176.43 3mdd n SER 321 N -3.90 0.56 -0.51 6.45 7.64 0.01 -4.92 113.62 118.94 3mdd n SER 321 Ca -0.03 -1.10 -0.03 0.00 1.01 0.00 0.00 58.87 58.72 3mdd n SER 321 Cb 0.13 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3mdd n SER 321 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mdd n GLY 322 N 1.10 0.43 3.25 0.23 0.00 0.94 -5.05 105.19 106.08 3mdd n GLY 322 Ca 0.21 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3mdd n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mdd s ARG 323 N -4.49 1.18 0.14 1.61 0.52 -0.97 -5.02 118.95 111.92 3mdd s ARG 323 Ca 0.03 -1.03 -0.32 0.00 -0.52 0.00 0.00 55.73 53.89 3mdd s ARG 323 Cb -0.01 -1.35 -0.11 0.00 0.52 0.00 0.00 34.95 34.00 3mdd s ARG 323 CO 0.03 0.33 1.80 -2.13 0.02 0.00 0.00 175.30 175.35 3mdd n ARG 324 N 1.46 2.75 -0.22 3.54 0.63 -1.26 -3.69 116.66 119.87 3mdd n ARG 324 Ca -0.19 1.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.81 3mdd n ARG 324 Cb 0.54 -2.88 0.17 0.00 0.45 0.00 0.00 32.46 30.74 3mdd n ARG 324 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3mdd n ASN 325 N 5.13 3.00 -0.32 6.15 6.94 -1.26 -4.83 115.26 130.06 3mdd n ASN 325 Ca 0.18 -2.66 -0.02 0.00 -0.02 0.00 0.00 54.58 52.05 3mdd n ASN 325 Cb 0.36 -0.36 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 3mdd n ASN 325 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3mdd h THR 326 N 1.11 0.06 0.14 5.53 2.02 -1.91 0.26 112.91 120.12 3mdd h THR 326 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3mdd h THR 326 Cb 1.03 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3mdd h THR 326 CO 0.08 0.00 -0.24 0.22 0.37 0.00 0.00 175.52 175.95 3mdd h TYR 327 N -0.05 -0.64 -0.43 3.16 3.20 -1.91 -0.95 116.97 119.34 3mdd h TYR 327 Ca 0.31 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.04 3mdd h TYR 327 Cb 0.58 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3mdd h TYR 327 CO -0.79 -0.34 -0.30 1.88 -1.64 0.00 0.00 178.16 176.96 3mdd h TYR 328 N -0.46 1.14 -0.45 -3.82 0.05 -1.72 -2.86 116.97 108.85 3mdd h TYR 328 Ca 0.02 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.49 3mdd h TYR 328 Cb 0.47 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3mdd h TYR 328 CO -0.21 1.14 0.26 0.00 -1.05 0.00 0.00 178.16 178.30 3mdd h ALA 329 N 0.83 0.57 -0.18 3.88 0.00 -0.42 -2.10 119.26 121.83 3mdd h ALA 329 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mdd h ALA 329 Cb 0.89 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3mdd h ALA 329 CO 0.08 0.08 -0.15 1.03 0.00 0.00 0.00 179.25 180.29 3mdd h SER 330 N 0.59 0.29 -0.15 0.00 0.87 -1.19 -1.75 113.55 112.22 3mdd h SER 330 Ca 0.16 -0.07 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 3mdd h SER 330 Cb 0.02 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3mdd h SER 330 CO -0.03 0.46 -0.67 0.40 -0.53 0.00 0.00 176.83 176.47 3mdd h ILE 331 N 0.28 1.29 0.28 2.23 2.04 -1.25 -2.56 117.51 119.82 3mdd h ILE 331 Ca 0.06 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 3mdd h ILE 331 Cb 0.43 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3mdd h ILE 331 CO 0.03 0.60 -0.14 0.00 0.00 0.00 0.00 178.15 178.64 3mdd h ALA 332 N 0.68 -0.38 -0.33 1.87 0.00 -1.12 -0.00 119.26 119.98 3mdd h ALA 332 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3mdd h ALA 332 Cb 1.28 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3mdd h ALA 332 CO 0.14 -0.52 -0.09 -0.22 0.00 0.00 0.00 179.25 178.56 3mdd h LYS 333 N -0.76 -0.02 0.20 0.00 3.11 -1.42 0.45 116.57 118.12 3mdd h LYS 333 Ca -0.04 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 3mdd h LYS 333 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 3mdd h LYS 333 CO 0.06 -0.01 -0.09 0.00 -2.81 0.00 0.00 179.45 176.60 3mdd h ALA 334 N 1.30 -0.26 -0.09 5.00 0.00 -1.48 -1.19 119.26 122.54 3mdd h ALA 334 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mdd h ALA 334 Cb 0.26 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mdd h ALA 334 CO -0.35 -0.65 -0.00 -0.92 0.00 0.00 0.00 179.25 177.33 3mdd h TYR 335 N -0.27 0.17 -0.67 0.00 3.20 -0.66 -2.76 116.97 115.99 3mdd h TYR 335 Ca -0.03 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.86 3mdd h TYR 335 Cb 0.21 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3mdd h TYR 335 CO -0.06 0.43 0.39 0.00 -1.64 0.00 0.00 178.16 177.28 3mdd h ALA 336 N 0.72 0.88 -0.87 1.82 0.00 -0.11 -1.82 119.26 119.88 3mdd h ALA 336 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3mdd h ALA 336 Cb 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3mdd h ALA 336 CO 0.01 0.10 0.51 0.00 0.00 0.00 0.00 179.25 179.87 3mdd h ALA 337 N 1.32 1.10 -0.18 0.00 0.00 -1.20 -0.64 119.26 119.66 3mdd h ALA 337 Ca 0.29 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3mdd h ALA 337 Cb 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mdd h ALA 337 CO -0.15 0.58 -0.47 -0.44 0.00 0.00 0.00 179.25 178.76 3mdd h ASP 338 N 1.19 0.73 1.12 0.00 3.32 -1.17 -3.12 116.42 118.49 3mdd h ASP 338 Ca 0.31 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3mdd h ASP 338 Cb -0.03 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3mdd h ASP 338 CO -0.06 1.17 -0.27 2.30 -1.72 0.00 0.00 179.24 180.66 3mdd n ILE 339 N -4.19 0.39 -0.06 0.35 -6.64 -0.72 -2.01 119.36 106.48 3mdd n ILE 339 Ca -0.06 -0.23 -0.06 0.00 -1.77 0.00 0.00 62.75 60.63 3mdd n ILE 339 Cb 0.58 -0.34 0.13 0.00 -1.44 0.00 0.00 39.64 38.57 3mdd n ILE 339 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3mdd h ALA 340 N 2.61 0.98 -0.17 -1.28 0.00 -1.14 -0.35 119.26 119.91 3mdd h ALA 340 Ca 0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 3mdd h ALA 340 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3mdd h ALA 340 CO 0.00 0.60 -0.68 -0.91 0.00 0.00 0.00 179.25 178.26 3mdd h ASN 341 N 0.62 0.79 -0.23 0.00 4.21 -1.42 -2.35 115.58 117.19 3mdd h ASN 341 Ca 0.09 -0.48 -0.17 0.00 1.21 0.00 0.00 56.30 56.95 3mdd h ASN 341 Cb 0.66 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3mdd h ASN 341 CO 0.05 1.25 -0.52 1.56 -1.29 0.00 0.00 177.43 178.48 3mdd h GLN 342 N 0.49 0.77 -0.40 0.81 4.20 -1.08 -2.94 115.11 116.96 3mdd h GLN 342 Ca -0.02 -0.51 -0.15 0.00 0.06 0.00 0.00 58.65 58.03 3mdd h GLN 342 Cb 1.27 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 3mdd h GLN 342 CO 0.13 1.14 -0.33 -0.07 -0.67 0.00 0.00 178.83 179.03 3mdd h LEU 343 N 0.51 0.96 -0.20 1.46 4.07 -1.13 -1.80 115.31 119.17 3mdd h LEU 343 Ca 0.00 -0.41 0.02 0.00 0.08 0.00 0.00 57.88 57.57 3mdd h LEU 343 Cb 1.14 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.59 3mdd h LEU 343 CO 0.12 1.20 0.07 0.00 -1.08 0.00 0.00 178.44 178.74 3mdd h ALA 344 N 0.85 0.22 -0.00 1.53 0.00 -1.45 0.20 119.26 120.62 3mdd h ALA 344 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3mdd h ALA 344 Cb 0.91 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3mdd h ALA 344 CO 0.08 -0.35 -0.67 0.00 0.00 0.00 0.00 179.25 178.31 3mdd h THR 345 N 0.17 1.47 0.00 0.00 1.03 -1.50 -2.55 112.91 111.52 3mdd h THR 345 Ca 0.09 -2.27 -0.11 0.00 -0.01 0.00 0.00 66.41 64.11 3mdd h THR 345 Cb 0.05 2.22 -0.02 0.00 -1.07 0.00 0.00 68.15 69.34 3mdd h THR 345 CO -0.09 0.65 -0.50 0.44 -0.01 0.00 0.00 175.52 176.01 3mdd h ASP 346 N 0.01 0.00 -0.20 0.00 3.32 -1.01 -2.64 116.42 115.90 3mdd h ASP 346 Ca -0.01 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3mdd h ASP 346 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3mdd h ASP 346 CO 0.09 0.50 -0.30 0.00 -1.72 0.00 0.00 179.24 177.81 3mdd h ALA 347 N 1.50 0.30 -0.38 3.45 0.00 -0.34 -2.50 119.26 121.30 3mdd h ALA 347 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3mdd h ALA 347 Cb 1.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3mdd h ALA 347 CO 0.07 0.33 0.11 0.28 0.00 0.00 0.00 179.25 180.04 3mdd h VAL 348 N 0.22 1.17 -0.19 0.00 2.07 -1.43 -2.92 116.25 115.16 3mdd h VAL 348 Ca 0.02 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3mdd h VAL 348 Cb 0.89 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3mdd h VAL 348 CO 0.07 0.21 0.05 -0.61 0.02 0.00 0.00 177.57 177.31 3mdd h GLN 349 N 0.55 0.31 0.00 1.57 5.75 -1.30 -2.77 115.11 119.21 3mdd h GLN 349 Ca 0.13 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 3mdd h GLN 349 Cb 0.18 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3mdd h GLN 349 CO -0.01 0.43 -0.29 -0.39 -2.65 0.00 0.00 178.83 175.91 3mdd h VAL 350 N 0.13 0.89 0.00 2.39 -1.51 -1.28 -1.96 116.25 114.91 3mdd h VAL 350 Ca 0.06 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3mdd h VAL 350 Cb 0.25 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3mdd h VAL 350 CO -0.00 0.29 0.00 0.49 -1.23 0.00 0.00 177.57 177.12 3mdd n PHE 351 N -3.72 0.29 -4.61 5.19 3.01 -1.11 -4.90 117.46 111.61 3mdd n PHE 351 Ca -0.01 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3mdd n PHE 351 Cb 0.40 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 3mdd n PHE 351 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mdd n GLY 352 N 0.77 2.69 0.35 1.37 0.00 -0.74 -2.46 105.19 107.17 3mdd n GLY 352 Ca 0.05 -0.38 0.16 0.00 0.00 0.00 0.00 46.02 45.85 3mdd n GLY 352 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mdd h GLY 353 N 0.00 1.86 2.00 -0.02 0.00 -1.89 0.13 103.07 105.14 3mdd h GLY 353 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 3mdd h GLY 353 CO 0.00 -0.19 -0.26 3.43 0.00 0.00 0.00 176.54 179.53 3mdd h ASN 354 N 0.63 0.00 -0.17 0.19 -0.26 -1.84 -2.89 115.58 111.24 3mdd h ASN 354 Ca 0.62 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.31 3mdd h ASN 354 Cb 1.13 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.38 3mdd h ASN 354 CO -0.44 0.26 -0.04 1.23 -1.06 0.00 0.00 177.43 177.38 3mdd h GLY 355 N 0.92 0.50 1.63 2.83 0.00 -0.62 -2.00 103.07 106.34 3mdd h GLY 355 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3mdd h GLY 355 CO 0.03 0.28 -0.08 0.33 0.00 0.00 0.00 176.54 177.11 3mdd n PHE 356 N -4.27 0.00 -3.72 5.60 7.35 -1.09 -3.59 117.46 117.73 3mdd n PHE 356 Ca 0.01 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.33 3mdd n PHE 356 Cb 0.26 -0.38 -0.06 0.00 0.35 0.00 0.00 39.48 39.65 3mdd n PHE 356 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3mdd s ASN 357 N -2.83 6.56 0.10 -2.13 3.84 -0.75 -4.98 114.94 114.74 3mdd s ASN 357 Ca 0.19 0.67 0.13 0.00 0.21 0.00 0.00 52.86 54.06 3mdd s ASN 357 Cb 0.19 -2.14 0.59 0.00 -0.55 0.00 0.00 41.25 39.35 3mdd s ASN 357 CO 0.53 0.36 1.41 0.41 -2.79 0.00 0.00 177.10 177.02 3mdd n THR 358 N 1.83 1.25 1.26 -5.21 -1.04 -1.26 -2.01 114.28 109.10 3mdd n THR 358 Ca -0.17 0.38 0.13 0.00 -2.04 0.00 0.00 64.05 62.36 3mdd n THR 358 Cb 0.54 -1.27 0.39 0.00 -1.82 0.00 0.00 70.33 68.16 3mdd n THR 358 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3mdd n GLU 359 N -1.75 0.90 -4.22 -2.82 -0.58 -1.26 -4.82 120.64 106.09 3mdd n GLU 359 Ca 0.02 -0.53 -0.28 0.00 -0.42 0.00 0.00 57.16 55.94 3mdd n GLU 359 Cb 0.12 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.41 3mdd n GLU 359 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3mdd s TYR 360 N -2.47 2.78 -1.35 -0.32 1.51 -0.85 -5.06 117.35 111.59 3mdd s TYR 360 Ca 0.25 -0.15 0.27 0.00 -1.01 0.00 0.00 57.07 56.43 3mdd s TYR 360 Cb 0.19 -1.40 1.31 0.00 -0.11 0.00 0.00 41.96 41.96 3mdd s TYR 360 CO 0.51 0.47 1.90 -0.35 -1.11 0.00 0.00 175.55 176.98 3mdd n PRO 361 N 0.32 0.31 0.09 -1.71 -0.04 -1.26 -4.25 135.00 128.47 3mdd n PRO 361 Ca -0.12 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 3mdd n PRO 361 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 3mdd n PRO 361 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3mdd h VAL 362 N 0.00 1.20 0.00 0.52 -1.51 -1.89 -3.31 116.25 111.26 3mdd h VAL 362 Ca 0.00 -2.76 -0.02 0.00 -1.23 0.00 0.00 66.70 62.68 3mdd h VAL 362 Cb 0.29 2.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 3mdd h VAL 362 CO 0.00 0.84 -0.12 1.05 -1.23 0.00 0.00 177.57 178.11 3mdd h GLU 363 N 0.10 0.00 -0.57 5.19 -0.00 -1.74 0.11 114.58 117.67 3mdd h GLU 363 Ca -0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.09 3mdd h GLU 363 Cb 2.07 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.79 3mdd h GLU 363 CO 0.20 0.12 0.26 -0.22 -0.00 0.00 0.00 179.01 179.37 3mdd h LYS 364 N 0.00 0.83 -0.96 1.06 3.64 -1.84 -1.67 116.57 117.63 3mdd h LYS 364 Ca -0.00 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3mdd h LYS 364 Cb 0.22 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 3mdd h LYS 364 CO 0.01 0.69 0.60 -0.07 -2.27 0.00 0.00 179.45 178.41 3mdd h LEU 365 N 0.77 0.94 -1.20 5.20 4.07 -0.91 0.54 115.31 124.72 3mdd h LEU 365 Ca 0.19 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 58.10 3mdd h LEU 365 Cb 0.14 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3mdd h LEU 365 CO -0.02 0.57 -0.27 -0.03 -1.08 0.00 0.00 178.44 177.61 3mdd h MET 366 N 1.06 0.21 0.02 1.13 4.05 -0.49 -1.87 114.93 119.05 3mdd h MET 366 Ca 0.43 -0.07 -0.20 0.00 -0.28 0.00 0.00 59.70 59.58 3mdd h MET 366 Cb 0.26 -0.02 0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3mdd h MET 366 CO -0.20 0.47 -0.79 0.00 0.23 0.00 0.00 176.91 176.61 3mdd h ARG 367 N 0.19 0.50 0.49 0.39 3.08 -0.21 -3.37 114.38 115.46 3mdd h ARG 367 Ca 0.03 -0.57 -0.02 0.00 0.07 0.00 0.00 59.98 59.49 3mdd h ARG 367 Cb 0.58 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3mdd h ARG 367 CO 0.04 1.20 -0.23 -0.44 -1.07 0.00 0.00 179.97 179.47 3mdd h ASP 368 N 0.04 -0.56 -1.32 7.04 3.32 -0.89 -3.30 116.42 120.77 3mdd h ASP 368 Ca -0.11 -0.06 0.39 0.00 0.02 0.00 0.00 57.03 57.27 3mdd h ASP 368 Cb 1.50 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 41.11 3mdd h ASP 368 CO 0.16 -0.26 0.91 0.00 -1.72 0.00 0.00 179.24 178.33 3mdd h ALA 369 N -0.46 2.97 -0.78 3.45 0.00 -1.49 -2.94 119.26 120.02 3mdd h ALA 369 Ca -0.07 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3mdd h ALA 369 Cb 0.58 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3mdd h ALA 369 CO 0.11 -1.43 0.51 -0.22 0.00 0.00 0.00 179.25 178.22 3mdd h LYS 370 N 0.10 0.72 0.00 0.00 1.63 -1.71 -2.37 116.57 114.95 3mdd h LYS 370 Ca 0.69 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.43 3mdd h LYS 370 Cb 2.43 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.89 3mdd h LYS 370 CO -0.16 0.48 -0.09 -0.84 -3.45 0.00 0.00 179.45 175.39 3mdd h ILE 371 N 0.74 0.37 0.00 2.00 -0.00 -1.77 -2.75 117.51 116.11 3mdd h ILE 371 Ca 0.35 -0.49 -0.00 0.00 -0.00 0.00 0.00 64.86 64.72 3mdd h ILE 371 Cb 0.39 1.35 -0.00 0.00 -0.00 0.00 0.00 36.82 38.57 3mdd h ILE 371 CO -0.13 0.08 -0.00 1.88 -0.00 0.00 0.00 178.15 179.98 3mdd h TYR 372 N 0.00 0.00 -0.02 0.16 0.05 -1.64 0.24 116.97 115.76 3mdd h TYR 372 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mdd h TYR 372 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3mdd h TYR 372 CO 0.00 0.00 0.00 1.04 -1.05 0.00 0.00 178.16 178.15 3mdd n GLN 373 N -4.08 1.58 0.05 4.88 6.02 -1.03 -4.53 117.38 120.26 3mdd n GLN 373 Ca -0.03 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 3mdd n GLN 373 Cb 0.09 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3mdd n GLN 373 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3mdd n ILE 374 N 0.02 1.06 -2.24 5.09 5.41 0.19 -1.89 119.36 127.01 3mdd n ILE 374 Ca 0.19 0.35 -0.34 0.00 1.00 0.00 0.00 62.75 63.96 3mdd n ILE 374 Cb 0.32 -1.46 -0.00 0.00 -0.71 0.00 0.00 39.64 37.78 3mdd n ILE 374 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3mdd s TYR 375 N -1.93 2.80 -1.24 1.39 1.13 0.60 -2.56 117.35 117.53 3mdd s TYR 375 Ca 0.00 1.55 -0.04 0.00 -1.41 0.00 0.00 57.07 57.17 3mdd s TYR 375 Cb 0.00 -3.17 -0.01 0.00 -1.10 0.00 0.00 41.96 37.68 3mdd s TYR 375 CO 0.00 -1.32 0.75 0.39 -2.51 0.00 0.00 175.55 172.86 3mdd n GLU 376 N -1.47 -4.07 -0.85 -3.49 -0.58 -1.26 -4.53 120.64 104.39 3mdd n GLU 376 Ca 0.10 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 3mdd n GLU 376 Cb 0.52 -5.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 3mdd n GLU 376 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mdd n GLY 377 N -1.53 -1.58 3.42 0.62 0.00 -1.25 -5.06 105.19 99.81 3mdd n GLY 377 Ca -0.24 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3mdd n GLY 377 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mdd n THR 378 N 0.47 0.00 -0.21 2.61 -2.24 -1.06 -4.68 114.28 109.17 3mdd n THR 378 Ca 0.00 -0.42 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 3mdd n THR 378 Cb 0.00 -0.90 0.10 0.00 -2.10 0.00 0.00 70.33 67.43 3mdd n THR 378 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mdd h ALA 379 N -2.55 0.81 -0.06 6.98 0.00 -1.68 -2.12 119.26 120.65 3mdd h ALA 379 Ca -0.60 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3mdd h ALA 379 Cb 1.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3mdd h ALA 379 CO 0.46 -0.10 -0.00 1.96 0.00 0.00 0.00 179.25 181.57 3mdd h GLN 380 N 0.51 0.11 -0.70 0.00 7.50 -1.90 -2.89 115.11 117.74 3mdd h GLN 380 Ca 0.30 -0.04 0.08 0.00 0.50 0.00 0.00 58.65 59.49 3mdd h GLN 380 Cb 0.29 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.77 3mdd h GLN 380 CO -0.24 0.41 0.46 0.82 -1.50 0.00 0.00 178.83 178.77 3mdd h ILE 381 N -0.19 0.96 -0.76 2.54 5.03 -1.85 -0.50 117.51 122.73 3mdd h ILE 381 Ca 0.02 -0.22 -0.03 0.00 -0.12 0.00 0.00 64.86 64.51 3mdd h ILE 381 Cb 0.36 0.27 -0.04 0.00 -3.03 0.00 0.00 36.82 34.39 3mdd h ILE 381 CO 0.00 0.12 0.35 1.56 -0.68 0.00 0.00 178.15 179.50 3mdd h GLN 382 N 0.64 1.11 -0.22 2.37 1.08 -1.20 -1.60 115.11 117.28 3mdd h GLN 382 Ca 0.31 -0.17 -0.14 0.00 -1.45 0.00 0.00 58.65 57.21 3mdd h GLN 382 Cb 0.39 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3mdd h GLN 382 CO -0.10 0.87 -0.43 0.00 -0.95 0.00 0.00 178.83 178.21 3mdd h ARG 383 N 1.09 0.54 -0.47 1.46 2.47 -0.92 -0.88 114.38 117.67 3mdd h ARG 383 Ca 0.26 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3mdd h ARG 383 Cb 0.14 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 3mdd h ARG 383 CO -0.03 0.87 0.29 0.82 0.56 0.00 0.00 179.97 182.48 3mdd h ILE 384 N 0.44 1.14 -0.39 2.04 2.04 -0.73 0.76 117.51 122.81 3mdd h ILE 384 Ca 0.03 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3mdd h ILE 384 Cb 0.93 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3mdd h ILE 384 CO 0.08 0.14 -0.16 0.40 0.00 0.00 0.00 178.15 178.61 3mdd h ILE 385 N 0.62 1.28 -0.45 -0.67 2.04 -1.18 -2.21 117.51 116.95 3mdd h ILE 385 Ca 0.17 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.67 3mdd h ILE 385 Cb -0.02 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3mdd h ILE 385 CO -0.03 0.43 -0.01 0.40 0.00 0.00 0.00 178.15 178.93 3mdd h ILE 386 N 0.60 1.26 -0.89 -0.67 2.04 -0.98 -1.31 117.51 117.56 3mdd h ILE 386 Ca 0.09 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3mdd h ILE 386 Cb 0.71 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3mdd h ILE 386 CO 0.05 0.37 0.48 0.00 0.00 0.00 0.00 178.15 179.05 3mdd h ALA 387 N 0.90 1.15 -0.26 1.87 0.00 -0.80 0.33 119.26 122.45 3mdd h ALA 387 Ca 0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3mdd h ALA 387 Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3mdd h ALA 387 CO 0.03 0.66 -0.19 -0.09 0.00 0.00 0.00 179.25 179.66 3mdd h ARG 388 N 1.25 0.59 -0.18 0.00 2.43 -1.26 -1.01 114.38 116.20 3mdd h ARG 388 Ca 0.31 -0.28 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 3mdd h ARG 388 Cb 0.05 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3mdd h ARG 388 CO -0.05 0.87 -0.67 0.93 -1.51 0.00 0.00 179.97 179.54 3mdd h GLU 389 N 0.31 0.71 0.84 0.20 4.39 -1.06 -1.70 114.58 118.27 3mdd h GLU 389 Ca 0.05 -0.52 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 3mdd h GLU 389 Cb 0.73 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3mdd h GLU 389 CO 0.05 1.14 -0.40 1.25 -1.16 0.00 0.00 179.01 179.89 3mdd h HIS 390 N 0.51 -1.04 -0.67 4.33 2.76 -0.34 -3.15 115.15 117.55 3mdd h HIS 390 Ca -0.02 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3mdd h HIS 390 Cb 1.27 0.35 -0.07 0.00 1.55 0.00 0.00 27.41 30.51 3mdd h HIS 390 CO 0.07 -0.65 0.32 0.82 -1.30 0.00 0.00 177.93 177.19 3mdd h ILE 391 N -1.29 0.85 -0.92 6.26 2.04 -1.27 -1.57 117.51 121.62 3mdd h ILE 391 Ca -0.12 -0.19 0.27 0.00 1.00 0.00 0.00 64.86 65.82 3mdd h ILE 391 Cb 0.86 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3mdd h ILE 391 CO 0.19 0.10 0.75 1.23 0.00 0.00 0.00 178.15 180.42 3mdd h GLY 392 N 0.56 0.00 2.00 5.37 0.00 -1.30 0.46 103.07 110.15 3mdd h GLY 392 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3mdd h GLY 392 CO -0.26 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.82 3mdd n ARG 393 N -3.97 0.14 -1.22 4.80 1.74 -0.59 -2.90 116.66 114.67 3mdd n ARG 393 Ca 0.19 0.19 -0.23 0.00 -0.77 0.00 0.00 57.85 57.23 3mdd n ARG 393 Cb 1.06 -1.69 0.18 0.00 -1.02 0.00 0.00 32.46 31.00 3mdd n ARG 393 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3mdd n TYR 394 N -1.94 3.05 -1.29 -1.55 4.02 0.16 -5.15 117.16 114.46 3mdd n TYR 394 Ca 0.05 -1.82 0.00 0.00 -0.01 0.00 0.00 57.90 56.12 3mdd n TYR 394 Cb 0.34 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.72 3mdd n TYR 394 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48