#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jmf h LEU 2 N 0.00 -0.20 0.00 4.03 5.85 -1.96 -2.12 115.31 120.91 1jmf h LEU 2 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1jmf h LEU 2 Cb 0.00 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1jmf h LEU 2 CO 0.00 -0.06 0.00 -1.84 -0.34 0.00 0.00 178.44 176.20 1jmf n GLU 3 N -5.22 0.79 -0.23 1.25 0.28 -1.26 -4.01 120.64 112.26 1jmf n GLU 3 Ca 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.05 1jmf n GLU 3 Cb 0.23 -1.27 0.13 0.00 1.43 0.00 0.00 31.44 31.96 1jmf n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1jmf h GLN 4 N 0.00 0.45 -0.74 3.44 5.75 -1.82 -1.32 115.11 120.87 1jmf h GLN 4 Ca 0.00 -0.03 0.20 0.00 -0.15 0.00 0.00 58.65 58.67 1jmf h GLN 4 Cb 0.00 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1jmf h GLN 4 CO 0.00 0.30 0.52 -1.35 -2.65 0.00 0.00 178.83 175.65 1jmf h PRO 5 N 0.46 0.08 -0.12 -2.39 0.11 -1.82 0.12 132.00 128.45 1jmf h PRO 5 Ca 0.34 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 1jmf h PRO 5 Cb 0.43 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1jmf h PRO 5 CO -0.32 0.05 -0.50 -0.92 -0.21 0.00 0.00 178.00 176.10 1jmf h TYR 6 N 0.08 0.73 -0.78 0.65 3.20 -1.55 0.06 116.97 119.37 1jmf h TYR 6 Ca 0.36 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1jmf h TYR 6 Cb 1.29 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1jmf h TYR 6 CO -0.00 1.09 0.28 -0.07 -1.64 0.00 0.00 178.16 177.82 1jmf h LEU 7 N 0.16 1.10 0.19 2.82 3.38 -1.02 -0.44 115.31 121.49 1jmf h LEU 7 Ca -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1jmf h LEU 7 Cb 1.14 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jmf h LEU 7 CO 0.10 0.99 -0.12 0.44 0.09 0.00 0.00 178.44 179.95 1jmf h ASP 8 N 1.15 -0.29 -0.65 -0.43 3.32 -0.77 0.95 116.42 119.70 1jmf h ASP 8 Ca 0.26 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.42 1jmf h ASP 8 Cb 0.26 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 1jmf h ASP 8 CO -0.02 -0.19 0.27 0.25 -1.72 0.00 0.00 179.24 177.83 1jmf h LEU 9 N -0.29 0.30 0.27 1.55 6.46 -0.55 -0.41 115.31 122.64 1jmf h LEU 9 Ca -0.02 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1jmf h LEU 9 Cb 0.25 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1jmf h LEU 9 CO 0.02 0.17 -0.13 0.00 -0.62 0.00 0.00 178.44 177.88 1jmf h ALA 10 N 1.43 -0.37 -0.96 1.25 0.00 -0.69 -2.33 119.26 117.59 1jmf h ALA 10 Ca 0.33 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1jmf h ALA 10 Cb 0.39 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1jmf h ALA 10 CO -0.30 -0.61 0.58 -0.22 0.00 0.00 0.00 179.25 178.70 1jmf h LYS 11 N -0.56 0.87 -0.10 0.00 3.64 -0.39 -2.17 116.57 117.86 1jmf h LYS 11 Ca -0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jmf h LYS 11 Cb 0.41 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jmf h LYS 11 CO 0.06 0.58 0.05 -0.22 -2.27 0.00 0.00 179.45 177.65 1jmf h LYS 12 N 0.90 0.14 -0.61 1.90 3.64 -0.99 -2.48 116.57 119.06 1jmf h LYS 12 Ca 0.49 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1jmf h LYS 12 Cb 0.54 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1jmf h LYS 12 CO -0.29 0.17 0.32 0.28 -2.27 0.00 0.00 179.45 177.66 1jmf h VAL 13 N 0.07 1.19 -0.32 2.00 2.07 -0.83 0.29 116.25 120.72 1jmf h VAL 13 Ca 0.03 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1jmf h VAL 13 Cb 0.07 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1jmf h VAL 13 CO -0.01 0.22 0.16 -0.07 0.02 0.00 0.00 177.57 177.89 1jmf h LEU 14 N 0.86 0.25 0.08 2.57 3.38 -1.23 0.72 115.31 121.94 1jmf h LEU 14 Ca 0.22 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jmf h LEU 14 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jmf h LEU 14 CO -0.03 0.18 -0.04 0.44 0.09 0.00 0.00 178.44 179.08 1jmf h ASP 15 N 0.34 -0.09 1.25 -0.43 3.32 -0.80 -3.37 116.42 116.64 1jmf h ASP 15 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1jmf h ASP 15 Cb 0.04 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1jmf h ASP 15 CO -0.09 -0.01 -0.06 -0.62 -1.72 0.00 0.00 179.24 176.75 1jmf n GLU 16 N -2.62 0.17 -1.81 3.56 4.71 0.91 -4.89 120.64 120.68 1jmf n GLU 16 Ca -0.01 0.13 -0.42 0.00 -0.01 0.00 0.00 57.16 56.85 1jmf n GLU 16 Cb 0.04 -1.69 -0.03 0.00 -1.01 0.00 0.00 31.44 28.75 1jmf n GLU 16 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1jmf s GLY 17 N -3.38 1.38 0.20 0.62 0.00 0.25 -4.95 107.32 101.44 1jmf s GLY 17 Ca 0.11 1.09 -0.16 0.00 0.00 0.00 0.00 44.72 45.77 1jmf s GLY 17 CO 0.59 3.33 0.64 0.30 0.00 0.00 0.00 173.10 177.96 1jmf s HIS 18 N 4.71 3.58 0.47 1.90 3.76 -1.04 -4.63 115.29 124.04 1jmf s HIS 18 Ca 0.83 1.19 -0.23 0.00 -0.15 0.00 0.00 55.06 56.70 1jmf s HIS 18 Cb -0.38 -2.48 -0.07 0.00 1.11 0.00 0.00 32.58 30.77 1jmf s HIS 18 CO 0.36 0.34 1.26 0.12 -0.85 0.00 0.00 174.74 175.98 1jmf s PHE 19 N -1.58 2.68 -0.26 1.40 2.19 -1.26 -0.36 117.98 120.79 1jmf s PHE 19 Ca 0.42 1.45 -0.12 0.00 0.33 0.00 0.00 56.93 59.01 1jmf s PHE 19 Cb -0.15 -3.59 0.09 0.00 -1.31 0.00 0.00 43.02 38.06 1jmf s PHE 19 CO 0.20 -2.09 0.60 0.21 1.83 0.00 0.00 175.22 175.96 1jmf s LYS 20 N -2.64 0.58 0.85 10.12 2.20 0.11 -4.84 119.74 126.13 1jmf s LYS 20 Ca 0.64 1.18 -0.12 0.00 -0.36 0.00 0.00 55.97 57.32 1jmf s LYS 20 Cb -0.35 0.30 0.10 0.00 -1.51 0.00 0.00 37.83 36.38 1jmf s LYS 20 CO 0.43 -0.17 1.11 -1.25 -0.36 0.00 0.00 175.35 175.10 1jmf s PRO 21 N 1.99 1.61 0.25 4.03 0.04 -1.26 -1.42 135.00 140.24 1jmf s PRO 21 Ca -0.08 0.52 -0.02 0.00 0.04 0.00 0.00 61.00 61.46 1jmf s PRO 21 Cb -0.08 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1jmf s PRO 21 CO -0.18 -1.92 0.36 -0.40 0.04 0.00 0.00 177.00 174.90 1jmf n ASP 22 N -3.62 -1.00 0.00 6.66 5.75 -1.25 -4.86 116.55 118.24 1jmf n ASP 22 Ca 0.07 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1jmf n ASP 22 Cb 0.57 1.84 0.00 0.00 -1.03 0.00 0.00 41.12 42.50 1jmf n ASP 22 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1jmf n ARG 23 N -0.40 0.00 -1.79 0.11 0.63 -1.26 -3.98 116.66 109.97 1jmf n ARG 23 Ca 0.00 0.51 -0.42 0.00 -0.92 0.00 0.00 57.85 57.02 1jmf n ARG 23 Cb 0.41 -1.17 -0.03 0.00 0.45 0.00 0.00 32.46 32.13 1jmf n ARG 23 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1jmf s THR 24 N -1.67 2.18 0.00 5.15 -4.23 -1.26 -4.78 115.64 111.02 1jmf s THR 24 Ca 0.00 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1jmf s THR 24 Cb 0.00 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1jmf s THR 24 CO 0.00 0.01 0.67 1.41 -0.54 0.00 0.00 174.62 176.17 1jmf n HIS 25 N 3.67 0.00 -3.08 3.99 8.25 -1.23 -4.76 115.22 122.05 1jmf n HIS 25 Ca 0.14 -0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 56.97 1jmf n HIS 25 Cb 0.36 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1jmf n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jmf s THR 26 N 0.56 4.91 0.36 1.59 2.01 -1.26 -4.92 115.64 118.88 1jmf s THR 26 Ca 0.00 0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.22 1jmf s THR 26 Cb 0.00 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1jmf s THR 26 CO 0.00 -0.45 0.68 -0.83 -0.69 0.00 0.00 174.62 173.32 1jmf s GLY 27 N -3.25 1.87 0.05 4.40 0.00 -1.26 -3.77 107.32 105.37 1jmf s GLY 27 Ca 0.47 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.82 1jmf s GLY 27 CO 0.32 -0.23 -0.06 -0.51 0.00 0.00 0.00 173.10 172.62 1jmf s THR 28 N -2.27 0.44 -0.25 0.90 -4.23 -0.51 -0.40 115.64 109.33 1jmf s THR 28 Ca 0.48 -1.36 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 1jmf s THR 28 Cb -0.10 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 1jmf s THR 28 CO 0.31 -0.61 0.10 -0.31 -0.54 0.00 0.00 174.62 173.57 1jmf s TYR 29 N -2.30 3.13 0.10 3.99 1.51 -0.85 0.09 117.35 123.02 1jmf s TYR 29 Ca -0.04 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1jmf s TYR 29 Cb -0.04 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1jmf s TYR 29 CO -0.03 -0.25 -0.19 0.45 -1.11 0.00 0.00 175.55 174.42 1jmf s SER 30 N 1.50 2.31 0.04 2.29 0.15 0.51 -1.30 113.70 119.20 1jmf s SER 30 Ca 0.06 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 56.07 1jmf s SER 30 Cb -0.15 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 1jmf s SER 30 CO 0.05 0.01 -0.12 0.27 1.20 0.00 0.00 173.24 174.65 1jmf s ILE 31 N -1.26 0.96 -0.13 6.45 -4.36 -0.58 -2.49 121.20 119.79 1jmf s ILE 31 Ca 0.05 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1jmf s ILE 31 Cb -0.10 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.73 1jmf s ILE 31 CO 0.04 -0.05 -0.20 0.12 0.24 0.00 0.00 174.94 175.08 1jmf s PHE 32 N -0.87 2.68 0.00 1.37 5.36 -1.26 -1.55 117.98 123.70 1jmf s PHE 32 Ca -0.00 -1.16 0.00 0.00 -0.96 0.00 0.00 56.93 54.81 1jmf s PHE 32 Cb -0.08 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 1jmf s PHE 32 CO 0.01 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 173.67 1jmf n GLY 33 N 3.90 -2.29 3.56 13.12 0.00 -0.72 -5.04 105.19 117.73 1jmf n GLY 33 Ca -0.19 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1jmf n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jmf s HIS 34 N 0.00 -0.66 -0.07 1.61 5.04 -1.17 -4.97 115.29 115.08 1jmf s HIS 34 Ca 0.00 1.28 -0.05 0.00 -1.54 0.00 0.00 55.06 54.75 1jmf s HIS 34 Cb 0.00 0.38 0.02 0.00 0.04 0.00 0.00 32.58 33.02 1jmf s HIS 34 CO 0.00 -0.51 0.17 -1.14 -2.34 0.00 0.00 174.74 170.92 1jmf s GLN 35 N -0.73 0.17 0.36 2.88 0.74 -1.26 0.91 119.66 122.74 1jmf s GLN 35 Ca -0.07 0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.66 1jmf s GLN 35 Cb -0.02 0.02 -0.06 0.00 1.10 0.00 0.00 33.01 34.06 1jmf s GLN 35 CO 0.06 -0.06 0.05 0.00 -0.55 0.00 0.00 175.29 174.80 1jmf s MET 36 N 0.39 1.78 -0.17 1.67 0.23 0.31 -4.99 119.30 118.50 1jmf s MET 36 Ca -0.02 -2.01 -0.06 0.00 -1.03 0.00 0.00 55.69 52.56 1jmf s MET 36 Cb -0.04 -1.02 0.08 0.00 -1.53 0.00 0.00 34.83 32.33 1jmf s MET 36 CO -0.02 -0.21 0.37 0.50 -2.03 0.00 0.00 175.02 173.63 1jmf s ARG 37 N -3.84 0.27 -0.14 3.16 3.52 -1.26 -2.00 118.95 118.66 1jmf s ARG 37 Ca 0.33 0.93 -0.03 0.00 -0.13 0.00 0.00 55.73 56.82 1jmf s ARG 37 Cb 0.08 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1jmf s ARG 37 CO 0.15 -0.26 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.29 1jmf s PHE 38 N 2.48 3.04 -0.83 5.12 0.08 0.06 -4.95 117.98 122.98 1jmf s PHE 38 Ca -0.01 -0.20 -0.19 0.00 0.12 0.00 0.00 56.93 56.64 1jmf s PHE 38 Cb -0.12 -1.93 0.12 0.00 -0.57 0.00 0.00 43.02 40.53 1jmf s PHE 38 CO -0.11 0.05 1.01 0.34 -0.10 0.00 0.00 175.22 176.41 1jmf s ASP 39 N 0.15 6.50 0.00 1.36 -1.08 -1.26 -0.68 116.67 121.66 1jmf s ASP 39 Ca -0.01 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.19 1jmf s ASP 39 Cb -0.14 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1jmf s ASP 39 CO 0.03 -1.10 0.49 0.18 0.52 0.00 0.00 175.17 175.29 1jmf n LEU 40 N 6.50 0.00 0.13 -1.34 4.77 -0.08 -0.96 117.00 126.02 1jmf n LEU 40 Ca 0.14 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1jmf n LEU 40 Cb 0.47 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1jmf n LEU 40 CO 0.52 -0.06 0.19 0.77 -1.33 0.00 0.00 177.39 177.48 1jmf h SER 41 N 0.00 0.00 1.52 -1.43 4.64 -1.80 -3.32 113.55 113.16 1jmf h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jmf h SER 41 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1jmf h SER 41 CO 0.00 0.00 -0.09 0.11 -0.87 0.00 0.00 176.83 175.99 1jmf h LYS 42 N 0.00 0.00 0.00 4.77 1.79 -1.42 -3.49 116.57 118.22 1jmf h LYS 42 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jmf h LYS 42 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1jmf h LYS 42 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1jmf n GLY 43 N 1.26 -0.87 3.65 3.86 0.00 -1.25 -4.88 105.19 106.97 1jmf n GLY 43 Ca 0.05 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1jmf n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jmf s PHE 44 N -1.94 3.34 0.00 1.61 5.36 0.35 -4.58 117.98 122.13 1jmf s PHE 44 Ca 0.00 0.65 -0.00 0.00 -0.96 0.00 0.00 56.93 56.61 1jmf s PHE 44 Cb 0.00 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 1jmf s PHE 44 CO 0.00 -0.11 1.00 -0.35 -1.46 0.00 0.00 175.22 174.31 1jmf n PRO 45 N 4.83 0.49 -3.02 10.12 -0.04 -1.26 -4.00 135.00 142.13 1jmf n PRO 45 Ca -0.07 -0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 1jmf n PRO 45 Cb 0.51 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 1jmf n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jmf s LEU 46 N 0.00 4.18 0.22 1.53 2.96 -1.26 -4.62 118.68 121.69 1jmf s LEU 46 Ca 0.04 1.02 -0.31 0.00 -0.22 0.00 0.00 54.13 54.65 1jmf s LEU 46 Cb 0.02 -3.06 -0.14 0.00 0.50 0.00 0.00 46.19 43.51 1jmf s LEU 46 CO 0.00 -0.30 1.33 0.18 -1.32 0.00 0.00 176.35 176.23 1jmf n LEU 47 N 4.96 2.64 -0.32 -0.68 4.77 -1.26 -4.79 117.00 122.32 1jmf n LEU 47 Ca 0.01 1.14 0.08 0.00 -0.03 0.00 0.00 56.01 57.21 1jmf n LEU 47 Cb 0.49 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 1jmf n LEU 47 CO 0.46 -0.74 0.23 0.35 -1.33 0.00 0.00 177.39 176.36 1jmf n THR 48 N 1.71 0.00 0.90 -5.08 -2.24 -1.26 -4.41 114.28 103.89 1jmf n THR 48 Ca 0.12 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1jmf n THR 48 Cb 0.30 1.17 0.20 0.00 -2.10 0.00 0.00 70.33 69.89 1jmf n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jmf n THR 49 N -0.27 0.44 0.00 4.28 -2.24 -1.26 -1.01 114.28 114.22 1jmf n THR 49 Ca 0.06 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1jmf n THR 49 Cb 0.33 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1jmf n THR 49 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1jmf n LYS 50 N 0.54 0.00 -2.06 -0.78 2.85 -1.26 -4.75 118.16 112.70 1jmf n LYS 50 Ca 0.13 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 1jmf n LYS 50 Cb 0.31 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.67 1jmf n LYS 50 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1jmf s LYS 51 N -0.44 4.19 -0.16 -1.58 2.20 -0.87 -4.69 119.74 118.40 1jmf s LYS 51 Ca 0.00 2.13 -0.05 0.00 -0.36 0.00 0.00 55.97 57.69 1jmf s LYS 51 Cb 0.00 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1jmf s LYS 51 CO 0.00 -0.82 0.02 0.08 -0.36 0.00 0.00 175.35 174.27 1jmf s VAL 52 N 3.88 4.38 -0.90 4.02 1.01 -1.26 -4.73 120.40 126.80 1jmf s VAL 52 Ca 0.71 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.26 1jmf s VAL 52 Cb -0.32 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1jmf s VAL 52 CO 0.28 0.50 1.57 -2.16 0.00 0.00 0.00 175.10 175.29 1jmf s PRO 53 N 0.16 3.18 0.42 2.72 0.04 -1.26 -4.85 135.00 135.42 1jmf s PRO 53 Ca 0.02 -0.59 0.15 0.00 0.04 0.00 0.00 61.00 60.62 1jmf s PRO 53 Cb -0.13 -4.97 1.04 0.00 0.04 0.00 0.00 34.50 30.48 1jmf s PRO 53 CO 0.02 -2.52 1.93 0.35 0.04 0.00 0.00 177.00 176.81 1jmf h PHE 54 N 10.69 0.49 -0.81 0.56 3.57 -2.00 -1.51 116.94 127.93 1jmf h PHE 54 Ca 0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1jmf h PHE 54 Cb 1.03 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 1jmf h PHE 54 CO 1.21 0.19 0.51 0.78 -2.23 0.00 0.00 178.31 178.78 1jmf h GLY 55 N 0.43 1.19 0.92 2.40 0.00 -1.99 0.13 103.07 106.15 1jmf h GLY 55 Ca 0.36 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1jmf h GLY 55 CO -0.11 0.30 0.11 1.41 0.00 0.00 0.00 176.54 178.25 1jmf h LEU 56 N 0.97 0.49 -0.32 3.11 3.38 -1.66 -1.16 115.31 120.12 1jmf h LEU 56 Ca 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1jmf h LEU 56 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1jmf h LEU 56 CO -0.13 0.56 0.17 0.40 0.09 0.00 0.00 178.44 179.53 1jmf h ILE 57 N 0.40 1.14 0.48 1.22 2.04 -1.37 -1.85 117.51 119.56 1jmf h ILE 57 Ca 0.11 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1jmf h ILE 57 Cb 0.24 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1jmf h ILE 57 CO -0.00 0.14 -0.23 0.50 0.00 0.00 0.00 178.15 178.56 1jmf h LYS 58 N 0.40 -0.62 0.00 2.37 3.64 -0.64 -1.22 116.57 120.50 1jmf h LYS 58 Ca 0.11 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1jmf h LYS 58 Cb 0.07 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1jmf h LYS 58 CO -0.02 -0.40 -0.21 0.66 -2.27 0.00 0.00 179.45 177.21 1jmf h SER 59 N -0.66 0.00 0.11 4.20 4.64 -1.21 -2.49 113.55 118.14 1jmf h SER 59 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1jmf h SER 59 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1jmf h SER 59 CO 0.11 0.21 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.15 1jmf h GLU 60 N 0.00 -0.15 -0.99 4.77 4.81 -1.12 -2.91 114.58 118.98 1jmf h GLU 60 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1jmf h GLU 60 Cb 0.43 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 1jmf h GLU 60 CO 0.03 0.29 0.62 1.25 -0.73 0.00 0.00 179.01 180.48 1jmf h LEU 61 N -0.67 0.93 -0.46 1.64 5.85 -1.01 -1.14 115.31 120.45 1jmf h LEU 61 Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1jmf h LEU 61 Cb 0.51 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1jmf h LEU 61 CO 0.03 0.50 0.21 -0.07 -0.34 0.00 0.00 178.44 178.77 1jmf h LEU 62 N 1.00 0.60 -0.70 2.25 3.38 -1.50 0.59 115.31 120.94 1jmf h LEU 62 Ca 0.49 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1jmf h LEU 62 Cb 0.45 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1jmf h LEU 62 CO -0.26 0.57 0.27 -0.25 0.09 0.00 0.00 178.44 178.86 1jmf h TRP 63 N 0.59 0.46 0.02 1.13 7.01 -1.03 -0.05 115.95 124.09 1jmf h TRP 63 Ca 0.16 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1jmf h TRP 63 Cb 0.13 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1jmf h TRP 63 CO -0.01 0.08 -0.01 0.74 -2.79 0.00 0.00 178.44 176.45 1jmf h PHE 64 N 0.43 -0.03 0.00 2.65 0.04 -0.67 -2.47 116.94 116.89 1jmf h PHE 64 Ca 0.37 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1jmf h PHE 64 Cb 0.52 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1jmf h PHE 64 CO -0.17 0.17 0.00 -0.07 -0.60 0.00 0.00 178.31 177.64 1jmf h LEU 65 N -0.22 0.00 -1.35 1.54 3.38 0.48 -0.29 115.31 118.85 1jmf h LEU 65 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jmf h LEU 65 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jmf h LEU 65 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 1jmf n HIS 66 N -2.54 0.15 -2.13 1.13 8.25 -0.17 -4.81 115.22 115.10 1jmf n HIS 66 Ca -0.02 -0.07 -0.21 0.00 -0.26 0.00 0.00 57.72 57.17 1jmf n HIS 66 Cb 0.07 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 1jmf n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jmf n GLY 67 N 1.23 0.32 3.85 -1.41 0.00 -0.12 -4.94 105.19 104.12 1jmf n GLY 67 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1jmf n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmf s ASP 68 N -2.28 6.75 0.00 1.61 -1.08 -1.07 -4.38 116.67 116.22 1jmf s ASP 68 Ca 0.00 0.98 0.00 0.00 -0.52 0.00 0.00 52.55 53.01 1jmf s ASP 68 Cb 0.00 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1jmf s ASP 68 CO 0.00 0.10 0.70 0.35 0.52 0.00 0.00 175.17 176.84 1jmf n THR 69 N 0.72 0.43 -3.78 1.71 -2.24 -1.26 -4.29 114.28 105.57 1jmf n THR 69 Ca -0.05 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 60.92 1jmf n THR 69 Cb 0.52 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 1jmf n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jmf s ASN 70 N -0.43 6.50 0.42 3.42 3.84 -1.26 -0.95 114.94 126.48 1jmf s ASN 70 Ca 0.00 0.58 0.21 0.00 0.21 0.00 0.00 52.86 53.85 1jmf s ASN 70 Cb 0.00 -2.10 0.91 0.00 -0.55 0.00 0.00 41.25 39.50 1jmf s ASN 70 CO 0.00 0.33 1.84 0.40 -2.79 0.00 0.00 177.10 176.88 1jmf h ILE 71 N 3.53 0.81 -1.02 -5.21 5.03 -0.90 -3.29 117.51 116.47 1jmf h ILE 71 Ca -0.52 -1.19 0.30 0.00 -0.12 0.00 0.00 64.86 63.33 1jmf h ILE 71 Cb 1.21 1.73 -0.14 0.00 -3.03 0.00 0.00 36.82 36.60 1jmf h ILE 71 CO 0.62 0.28 0.60 -0.09 -0.68 0.00 0.00 178.15 178.88 1jmf h ARG 72 N 0.00 0.39 -0.30 2.37 2.43 -1.89 0.03 114.38 117.42 1jmf h ARG 72 Ca -0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1jmf h ARG 72 Cb 0.71 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1jmf h ARG 72 CO 0.04 0.26 -0.20 0.35 -1.51 0.00 0.00 179.97 178.91 1jmf h PHE 73 N 0.41 0.77 -0.50 2.20 3.57 -1.98 -0.96 116.94 120.44 1jmf h PHE 73 Ca 0.70 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.92 1jmf h PHE 73 Cb 1.55 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 1jmf h PHE 73 CO -0.01 0.91 0.02 -0.07 -2.23 0.00 0.00 178.31 176.93 1jmf h LEU 74 N 0.40 0.85 -0.71 0.59 3.38 -1.27 -2.60 115.31 115.96 1jmf h LEU 74 Ca 0.06 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1jmf h LEU 74 Cb 0.74 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1jmf h LEU 74 CO 0.05 0.94 0.45 -0.07 0.09 0.00 0.00 178.44 179.90 1jmf h LEU 75 N 0.74 0.74 -1.36 1.67 3.38 -1.08 0.59 115.31 119.98 1jmf h LEU 75 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jmf h LEU 75 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jmf h LEU 75 CO 0.02 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1jmf n GLN 76 N -4.65 0.14 -0.37 1.13 6.02 -0.38 -1.00 117.38 118.28 1jmf n GLN 76 Ca 0.08 0.62 0.08 0.00 -0.01 0.00 0.00 57.00 57.76 1jmf n GLN 76 Cb 0.08 -1.95 0.23 0.00 1.02 0.00 0.00 30.24 29.62 1jmf n GLN 76 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1jmf n HIS 77 N -2.26 0.80 -0.89 1.08 8.25 0.19 -4.94 115.22 117.44 1jmf n HIS 77 Ca -0.01 -0.81 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 1jmf n HIS 77 Cb 0.05 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1jmf n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jmf n ARG 78 N -0.36 -1.07 -3.12 -0.41 1.74 -0.17 -4.95 116.66 108.33 1jmf n ARG 78 Ca 0.19 0.27 -0.39 0.00 -0.77 0.00 0.00 57.85 57.14 1jmf n ARG 78 Cb 0.79 -4.35 -0.05 0.00 -1.02 0.00 0.00 32.46 27.82 1jmf n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jmf s ASN 79 N -2.07 6.90 -0.02 0.55 3.84 0.01 -4.93 114.94 119.22 1jmf s ASN 79 Ca 0.00 1.09 0.03 0.00 0.21 0.00 0.00 52.86 54.19 1jmf s ASN 79 Cb 0.00 -2.38 0.05 0.00 -0.55 0.00 0.00 41.25 38.37 1jmf s ASN 79 CO 0.00 -0.09 0.88 1.41 -2.79 0.00 0.00 177.10 176.51 1jmf n HIS 80 N 3.78 0.00 -0.10 0.43 8.25 -1.26 -3.14 115.22 123.18 1jmf n HIS 80 Ca -0.03 -0.39 0.27 0.00 -0.26 0.00 0.00 57.72 57.32 1jmf n HIS 80 Cb 0.51 -0.05 0.70 0.00 1.12 0.00 0.00 29.99 32.27 1jmf n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jmf h ILE 81 N 1.67 0.36 -0.39 1.59 2.04 -1.97 -1.18 117.51 119.63 1jmf h ILE 81 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jmf h ILE 81 Cb 0.83 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1jmf h ILE 81 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1jmf n TRP 82 N -3.87 0.54 0.22 1.37 7.02 -1.26 -4.79 117.44 116.68 1jmf n TRP 82 Ca 0.16 -0.51 -0.17 0.00 -1.02 0.00 0.00 57.50 55.96 1jmf n TRP 82 Cb 0.97 -0.03 -0.10 0.00 -2.42 0.00 0.00 31.31 29.73 1jmf n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1jmf h ASP 83 N 2.30 -1.47 -1.19 -0.99 5.19 -1.57 -2.65 116.42 116.04 1jmf h ASP 83 Ca 0.00 0.13 0.34 0.00 -0.62 0.00 0.00 57.03 56.88 1jmf h ASP 83 Cb 0.78 0.51 -0.08 0.00 0.18 0.00 0.00 39.33 40.72 1jmf h ASP 83 CO 0.01 -0.62 0.81 -0.33 -3.12 0.00 0.00 179.24 175.99 1jmf h GLU 84 N -0.90 0.17 -0.57 3.56 5.08 -1.87 0.22 114.58 120.27 1jmf h GLU 84 Ca -0.04 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1jmf h GLU 84 Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1jmf h GLU 84 CO -0.16 0.11 -0.04 -1.49 -1.00 0.00 0.00 179.01 176.44 1jmf h TRP 85 N 0.18 1.13 0.17 4.33 4.06 -1.83 -0.62 115.95 123.36 1jmf h TRP 85 Ca 0.64 -0.21 -0.33 0.00 2.06 0.00 0.00 58.89 61.06 1jmf h TRP 85 Cb 2.09 -0.29 0.01 0.00 -1.00 0.00 0.00 29.16 29.97 1jmf h TRP 85 CO -0.00 1.02 -1.59 0.00 -3.56 0.00 0.00 178.44 174.30 1jmf h ALA 86 N 1.01 0.14 -0.89 1.49 0.00 -0.99 -3.35 119.26 116.68 1jmf h ALA 86 Ca 0.16 -1.06 0.04 0.00 0.00 0.00 0.00 54.91 54.05 1jmf h ALA 86 Cb 0.59 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1jmf h ALA 86 CO 0.04 1.01 0.57 0.35 0.00 0.00 0.00 179.25 181.21 1jmf h PHE 87 N 0.10 1.06 0.00 0.00 3.57 -0.63 -1.95 116.94 119.09 1jmf h PHE 87 Ca -0.28 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 1jmf h PHE 87 Cb 2.07 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 1jmf h PHE 87 CO 0.09 0.59 -0.15 1.49 -2.23 0.00 0.00 178.31 178.09 1jmf h GLU 88 N 1.08 0.00 -0.10 1.11 4.81 -1.24 -1.08 114.58 119.16 1jmf h GLU 88 Ca 0.36 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.36 1jmf h GLU 88 Cb 0.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1jmf h GLU 88 CO -0.14 0.15 -0.85 -0.22 -0.73 0.00 0.00 179.01 177.23 1jmf h LYS 89 N 0.00 0.76 -0.37 1.92 1.63 -1.50 -2.94 116.57 116.07 1jmf h LYS 89 Ca -0.00 -0.68 0.01 0.00 -0.85 0.00 0.00 60.65 59.13 1jmf h LYS 89 Cb 0.34 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1jmf h LYS 89 CO 0.02 1.27 0.23 2.35 -3.45 0.00 0.00 179.45 179.87 1jmf h TRP 90 N 0.47 0.43 0.00 1.91 -0.00 -0.92 -2.83 115.95 115.01 1jmf h TRP 90 Ca -0.08 0.01 -0.10 0.00 -0.00 0.00 0.00 58.89 58.72 1jmf h TRP 90 Cb 1.49 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 30.49 1jmf h TRP 90 CO 0.09 0.26 -0.49 0.28 -0.00 0.00 0.00 178.44 178.59 1jmf h VAL 91 N 0.47 1.31 -0.10 2.65 2.07 -1.28 -2.88 116.25 118.50 1jmf h VAL 91 Ca 0.14 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1jmf h VAL 91 Cb -0.02 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1jmf h VAL 91 CO -0.05 0.48 0.00 2.29 0.02 0.00 0.00 177.57 180.31 1jmf n LYS 92 N -3.90 1.51 -3.97 1.57 -0.00 -1.11 -4.83 118.16 107.43 1jmf n LYS 92 Ca -0.01 -0.76 -0.24 0.00 -0.00 0.00 0.00 58.31 57.30 1jmf n LYS 92 Cb 0.51 -1.39 -0.03 0.00 -0.00 0.00 0.00 35.03 34.13 1jmf n LYS 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1jmf s SER 93 N -1.65 6.25 0.40 -5.58 1.04 -1.09 -5.02 113.70 108.05 1jmf s SER 93 Ca 0.33 0.09 0.19 0.00 0.48 0.00 0.00 55.95 57.03 1jmf s SER 93 Cb 0.17 -1.84 1.11 0.00 0.10 0.00 0.00 66.02 65.56 1jmf s SER 93 CO 0.27 -0.01 1.76 0.44 0.98 0.00 0.00 173.24 176.68 1jmf h ASP 94 N 1.68 0.44 -0.23 7.02 5.19 -1.90 -2.63 116.42 126.00 1jmf h ASP 94 Ca -0.50 0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 55.86 1jmf h ASP 94 Cb 1.21 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1jmf h ASP 94 CO 0.65 0.07 -0.39 -0.08 -3.12 0.00 0.00 179.24 176.36 1jmf h GLU 95 N 0.38 0.66 -5.14 3.56 4.22 -1.95 -3.42 114.58 112.89 1jmf h GLU 95 Ca 0.61 -0.41 -0.07 0.00 0.08 0.00 0.00 59.36 59.57 1jmf h GLU 95 Cb 1.56 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1jmf h GLU 95 CO -0.31 1.03 0.54 0.98 -2.18 0.00 0.00 179.01 179.07 1jmf n TYR 96 N -4.22 0.68 -3.40 0.92 9.36 -0.99 -4.79 117.16 114.72 1jmf n TYR 96 Ca -0.05 -0.06 -0.43 0.00 3.32 0.00 0.00 57.90 60.68 1jmf n TYR 96 Cb 0.53 -1.88 -0.02 0.00 -0.63 0.00 0.00 39.34 37.34 1jmf n TYR 96 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1jmf s HIS 97 N 10.54 4.14 0.00 2.98 3.76 -1.26 -4.96 115.29 130.49 1jmf s HIS 97 Ca 0.82 -2.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.04 1jmf s HIS 97 Cb -0.22 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 29.76 1jmf s HIS 97 CO 0.19 -0.91 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 1jmf n GLY 98 N 2.77 4.21 2.93 -2.22 0.00 -1.26 -5.17 105.19 106.45 1jmf n GLY 98 Ca 0.22 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 1jmf n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jmf n PRO 99 N 0.00 -3.30 -1.78 1.61 -0.02 -1.26 -4.94 135.00 125.30 1jmf n PRO 99 Ca 0.00 -1.44 -0.42 0.00 -2.02 0.00 0.00 63.50 59.63 1jmf n PRO 99 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1jmf n PRO 99 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1jmf s ASP 100 N -3.74 6.39 0.00 2.55 -4.77 -1.26 -4.86 116.67 110.98 1jmf s ASP 100 Ca 0.60 2.92 0.00 0.00 -3.30 0.00 0.00 52.55 52.77 1jmf s ASP 100 Cb -0.07 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.13 1jmf s ASP 100 CO 0.47 -0.91 0.00 0.80 0.70 0.00 0.00 175.17 176.23 1jmf n MET 101 N 2.53 0.00 -1.79 2.11 1.56 -1.26 -4.98 117.12 115.29 1jmf n MET 101 Ca 0.10 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.10 1jmf n MET 101 Cb 0.37 -0.24 -0.03 0.00 2.15 0.00 0.00 33.22 35.47 1jmf n MET 101 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1jmf s THR 102 N 0.00 2.84 -0.82 1.12 -4.23 -1.26 -1.03 115.64 112.26 1jmf s THR 102 Ca 0.00 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1jmf s THR 102 Cb 0.00 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1jmf s THR 102 CO 0.00 -0.01 0.00 -0.67 -0.54 0.00 0.00 174.62 173.40 1jmf n ASP 103 N 6.08 -3.93 -0.36 3.99 2.03 -1.26 -4.93 116.55 118.17 1jmf n ASP 103 Ca 0.17 0.19 0.02 0.00 0.52 0.00 0.00 54.79 55.69 1jmf n ASP 103 Cb 0.40 -2.12 0.08 0.00 -0.72 0.00 0.00 41.12 38.75 1jmf n ASP 103 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1jmf n PHE 104 N -2.79 0.16 -0.11 -0.67 -1.74 -0.20 -1.64 117.46 110.47 1jmf n PHE 104 Ca -0.08 1.19 -0.05 0.00 -0.56 0.00 0.00 57.45 57.95 1jmf n PHE 104 Cb 0.26 -0.94 0.02 0.00 1.52 0.00 0.00 39.48 40.34 1jmf n PHE 104 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1jmf h GLY 105 N 0.00 0.43 0.70 4.97 0.00 -1.92 -0.08 103.07 107.18 1jmf h GLY 105 Ca 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1jmf h GLY 105 CO -0.98 -0.04 -0.04 0.84 0.00 0.00 0.00 176.54 176.33 1jmf h HIS 106 N 0.18 0.23 -0.46 5.60 6.17 -1.71 -3.07 115.15 122.10 1jmf h HIS 106 Ca 0.18 -0.05 0.07 0.00 0.71 0.00 0.00 60.37 61.28 1jmf h HIS 106 Cb 0.22 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 1jmf h HIS 106 CO -0.20 0.54 0.31 0.00 0.71 0.00 0.00 177.93 179.29 1jmf h ARG 107 N -0.14 0.31 -0.84 5.26 3.08 -1.09 -1.62 114.38 119.33 1jmf h ARG 107 Ca 0.02 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.24 1jmf h ARG 107 Cb 0.47 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1jmf h ARG 107 CO 0.01 0.20 0.56 0.77 -1.07 0.00 0.00 179.97 180.45 1jmf h SER 108 N 0.32 0.37 -0.48 7.04 0.02 -0.90 -1.34 113.55 118.58 1jmf h SER 108 Ca 0.20 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1jmf h SER 108 Cb 0.40 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 1jmf h SER 108 CO -0.05 0.17 0.09 1.56 -1.14 0.00 0.00 176.83 177.46 1jmf h GLN 109 N 0.38 0.22 -2.18 3.45 4.20 -1.41 -3.14 115.11 116.64 1jmf h GLN 109 Ca 0.43 -0.01 -0.59 0.00 0.06 0.00 0.00 58.65 58.53 1jmf h GLN 109 Cb 1.07 -0.05 -0.41 0.00 0.30 0.00 0.00 27.48 28.39 1jmf h GLN 109 CO -0.14 0.15 -0.70 1.63 -0.67 0.00 0.00 178.83 179.09 1jmf n LYS 110 N -5.12 2.12 -2.12 1.46 4.01 -0.53 -5.10 118.16 112.88 1jmf n LYS 110 Ca 0.05 -4.36 -0.41 0.00 -0.51 0.00 0.00 58.31 53.08 1jmf n LYS 110 Cb 0.24 -2.04 -0.03 0.00 -0.51 0.00 0.00 35.03 32.69 1jmf n LYS 110 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1jmf s ASP 111 N -2.16 6.79 0.35 4.39 -4.77 -1.02 -4.91 116.67 115.33 1jmf s ASP 111 Ca 0.38 2.54 0.23 0.00 -3.30 0.00 0.00 52.55 52.40 1jmf s ASP 111 Cb 0.15 -2.62 0.25 0.00 -1.09 0.00 0.00 42.92 39.60 1jmf s ASP 111 CO -0.04 -0.60 1.43 -0.65 0.70 0.00 0.00 175.17 176.01 1jmf h PRO 112 N 5.06 0.00 0.00 2.11 0.11 -1.94 -3.43 132.00 133.91 1jmf h PRO 112 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jmf h PRO 112 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jmf h PRO 112 CO 0.76 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1jmf n GLU 113 N -2.92 0.00 -0.23 1.05 -0.00 -1.26 -5.05 120.64 112.24 1jmf n GLU 113 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.23 1jmf n GLU 113 Cb 0.53 0.00 0.10 0.00 -0.00 0.00 0.00 31.44 32.07 1jmf n GLU 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1jmf n PHE 114 N 0.00 0.24 -0.11 -1.84 7.35 -1.26 -2.99 117.46 118.85 1jmf n PHE 114 Ca 0.00 0.77 -0.06 0.00 -0.76 0.00 0.00 57.45 57.40 1jmf n PHE 114 Cb 0.00 -0.88 -0.05 0.00 0.35 0.00 0.00 39.48 38.91 1jmf n PHE 114 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jmf h ALA 115 N 1.27 -0.42 0.00 3.13 0.00 -1.90 0.44 119.26 121.77 1jmf h ALA 115 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1jmf h ALA 115 Cb 0.49 1.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1jmf h ALA 115 CO -0.65 -0.57 -0.08 0.00 0.00 0.00 0.00 179.25 177.95 1jmf h ALA 116 N -0.57 1.80 0.11 0.00 0.00 -1.96 0.17 119.26 118.81 1jmf h ALA 116 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jmf h ALA 116 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jmf h ALA 116 CO -0.33 0.11 -0.05 0.28 0.00 0.00 0.00 179.25 179.25 1jmf h VAL 117 N 0.00 1.09 0.09 0.00 2.07 -1.32 -2.30 116.25 115.88 1jmf h VAL 117 Ca -0.00 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1jmf h VAL 117 Cb 0.16 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1jmf h VAL 117 CO 0.01 0.24 -0.12 0.22 0.02 0.00 0.00 177.57 177.94 1jmf h TYR 118 N -0.65 -0.30 -0.03 1.57 3.20 0.18 0.71 116.97 121.66 1jmf h TYR 118 Ca -0.02 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1jmf h TYR 118 Cb 0.50 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1jmf h TYR 118 CO 0.08 -0.18 0.07 0.45 -1.64 0.00 0.00 178.16 176.94 1jmf h HIS 119 N -0.24 0.00 0.12 -3.82 3.86 -0.72 -0.58 115.15 113.77 1jmf h HIS 119 Ca 0.01 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.86 1jmf h HIS 119 Cb 0.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1jmf h HIS 119 CO -0.14 0.00 -2.02 -1.91 0.86 0.00 0.00 177.93 174.73 1jmf n GLU 120 N -3.34 0.75 -0.12 2.45 4.07 -0.75 -2.82 120.64 120.89 1jmf n GLU 120 Ca -0.02 0.26 0.06 0.00 -0.06 0.00 0.00 57.16 57.39 1jmf n GLU 120 Cb 0.15 -1.70 0.38 0.00 -0.06 0.00 0.00 31.44 30.21 1jmf n GLU 120 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1jmf h GLU 121 N 0.07 0.67 -0.28 5.31 4.39 0.17 -0.76 114.58 124.14 1jmf h GLU 121 Ca -0.43 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.15 1jmf h GLU 121 Cb 2.03 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.52 1jmf h GLU 121 CO 0.08 0.44 -0.14 1.98 -1.16 0.00 0.00 179.01 180.21 1jmf h MET 122 N 0.69 0.58 -0.56 2.33 4.05 -1.26 -1.01 114.93 119.75 1jmf h MET 122 Ca 0.26 -0.26 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 1jmf h MET 122 Cb 0.15 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1jmf h MET 122 CO -0.07 0.83 0.38 0.00 0.23 0.00 0.00 176.91 178.27 1jmf h ALA 123 N 0.74 2.12 0.44 0.39 0.00 -1.03 0.82 119.26 122.74 1jmf h ALA 123 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jmf h ALA 123 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jmf h ALA 123 CO 0.04 -0.25 -0.21 0.87 0.00 0.00 0.00 179.25 179.70 1jmf h LYS 124 N 0.30 -0.57 -0.52 0.00 1.79 -0.73 -2.55 116.57 114.28 1jmf h LYS 124 Ca 0.26 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.87 1jmf h LYS 124 Cb 0.63 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.31 1jmf h LYS 124 CO -0.06 -0.35 -0.16 0.35 -1.08 0.00 0.00 179.45 178.16 1jmf h PHE 125 N -1.13 -0.36 -0.38 -1.35 3.57 -0.65 -1.50 116.94 115.14 1jmf h PHE 125 Ca -0.06 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1jmf h PHE 125 Cb 0.49 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1jmf h PHE 125 CO 0.01 -0.25 0.23 -0.44 -2.23 0.00 0.00 178.31 175.63 1jmf h ASP 126 N -0.03 0.38 -0.84 0.41 5.19 -0.95 -0.76 116.42 119.83 1jmf h ASP 126 Ca 0.25 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1jmf h ASP 126 Cb 0.41 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 1jmf h ASP 126 CO -0.55 0.28 0.42 -0.78 -3.12 0.00 0.00 179.24 175.49 1jmf h ASP 127 N 0.47 1.08 -0.54 6.45 3.58 -0.96 -1.11 116.42 125.40 1jmf h ASP 127 Ca 0.15 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 1jmf h ASP 127 Cb -0.01 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1jmf h ASP 127 CO -0.06 0.90 0.01 0.03 -2.88 0.00 0.00 179.24 177.24 1jmf h ARG 128 N 1.18 0.95 -0.59 0.28 3.08 -1.06 -0.81 114.38 117.41 1jmf h ARG 128 Ca 0.29 -0.30 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1jmf h ARG 128 Cb 0.09 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1jmf h ARG 128 CO -0.04 0.96 0.30 0.28 -1.07 0.00 0.00 179.97 180.40 1jmf h VAL 129 N 0.82 0.94 0.00 2.04 2.07 -0.53 0.75 116.25 122.34 1jmf h VAL 129 Ca 0.15 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1jmf h VAL 129 Cb 0.53 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1jmf h VAL 129 CO 0.03 0.10 -0.36 -0.07 0.02 0.00 0.00 177.57 177.29 1jmf h LEU 130 N 0.57 0.00 0.00 2.57 3.38 -0.92 -3.39 115.31 117.51 1jmf h LEU 130 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 1jmf h LEU 130 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1jmf h LEU 130 CO -0.18 0.36 -1.19 1.41 0.09 0.00 0.00 178.44 178.92 1jmf n HIS 131 N -3.88 0.00 -2.13 1.13 8.25 -0.34 -4.86 115.22 113.40 1jmf n HIS 131 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1jmf n HIS 131 Cb 0.42 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1jmf n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jmf s ASP 132 N -6.08 5.34 0.42 0.41 2.15 0.25 -4.80 116.67 114.37 1jmf s ASP 132 Ca -0.16 -0.91 0.28 0.00 0.43 0.00 0.00 52.55 52.19 1jmf s ASP 132 Cb 0.05 -2.56 1.41 0.00 -0.30 0.00 0.00 42.92 41.51 1jmf s ASP 132 CO 0.22 -2.59 1.61 -0.78 -0.17 0.00 0.00 175.17 173.46 1jmf h ASP 133 N 10.86 0.26 1.15 -0.34 1.82 -1.83 1.06 116.42 129.40 1jmf h ASP 133 Ca 0.13 0.16 -0.17 0.00 -0.39 0.00 0.00 57.03 56.76 1jmf h ASP 133 Cb 1.00 0.16 -0.03 0.00 0.68 0.00 0.00 39.33 41.14 1jmf h ASP 133 CO 1.25 -0.24 -0.86 0.00 -1.61 0.00 0.00 179.24 177.78 1jmf h ALA 134 N 1.68 0.49 -0.29 -0.78 0.00 -1.93 -2.97 119.26 115.45 1jmf h ALA 134 Ca 0.84 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1jmf h ALA 134 Cb 2.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1jmf h ALA 134 CO -0.50 1.03 -0.06 0.35 0.00 0.00 0.00 179.25 180.07 1jmf h PHE 135 N 0.00 0.62 -0.35 0.00 3.57 0.80 -2.94 116.94 118.64 1jmf h PHE 135 Ca -0.02 -0.13 0.05 0.00 3.53 0.00 0.00 57.97 61.39 1jmf h PHE 135 Cb 1.64 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 1jmf h PHE 135 CO 0.00 0.74 0.10 0.00 -2.23 0.00 0.00 178.31 176.92 1jmf h ALA 136 N 0.79 0.39 -0.09 2.41 0.00 -1.23 0.16 119.26 121.68 1jmf h ALA 136 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1jmf h ALA 136 Cb 0.54 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jmf h ALA 136 CO 0.03 -0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.07 1jmf h ALA 137 N 1.24 1.69 0.00 0.00 0.00 -1.45 0.24 119.26 120.99 1jmf h ALA 137 Ca 0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1jmf h ALA 137 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jmf h ALA 137 CO -0.19 -0.15 -0.90 1.17 0.00 0.00 0.00 179.25 179.19 1jmf n LYS 138 N -3.87 0.50 -0.14 0.00 4.81 -0.41 -4.54 118.16 114.51 1jmf n LYS 138 Ca -0.01 0.44 0.10 0.00 -0.87 0.00 0.00 58.31 57.97 1jmf n LYS 138 Cb 0.20 -1.62 0.16 0.00 0.02 0.00 0.00 35.03 33.80 1jmf n LYS 138 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1jmf n TYR 139 N -4.52 0.37 0.63 5.64 4.01 0.43 -4.40 117.16 119.32 1jmf n TYR 139 Ca -0.16 -0.23 0.06 0.00 -0.16 0.00 0.00 57.90 57.41 1jmf n TYR 139 Cb 0.44 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 1jmf n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jmf n GLY 140 N 1.15 -0.27 3.49 2.72 0.00 0.85 -4.59 105.19 108.54 1jmf n GLY 140 Ca 0.15 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1jmf n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmf s ASP 141 N -2.26 6.27 0.50 1.61 -1.08 -1.16 -0.12 116.67 120.43 1jmf s ASP 141 Ca 0.05 -0.56 0.28 0.00 -0.52 0.00 0.00 52.55 51.80 1jmf s ASP 141 Cb 0.10 -2.30 1.21 0.00 -1.46 0.00 0.00 42.92 40.48 1jmf s ASP 141 CO 0.55 -0.79 1.94 -0.07 0.52 0.00 0.00 175.17 177.32 1jmf h LEU 142 N 9.62 0.00 0.00 -1.34 3.38 -1.38 -3.48 115.31 122.11 1jmf h LEU 142 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1jmf h LEU 142 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jmf h LEU 142 CO 0.90 0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1jmf n GLY 143 N -0.08 1.23 3.47 0.83 0.00 -1.26 -4.75 105.19 104.63 1jmf n GLY 143 Ca -0.00 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 1jmf n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jmf s LEU 144 N 0.00 4.86 0.28 0.99 1.43 -1.26 -4.69 118.68 120.29 1jmf s LEU 144 Ca 0.00 -2.14 0.06 0.00 -1.03 0.00 0.00 54.13 51.03 1jmf s LEU 144 Cb 0.00 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 1jmf s LEU 144 CO 0.00 -1.06 -0.06 -0.69 0.23 0.00 0.00 176.35 174.77 1jmf s VAL 145 N 2.79 1.63 0.40 -1.59 1.01 -1.26 -4.99 120.40 118.39 1jmf s VAL 145 Ca 0.36 -2.12 0.29 0.00 0.00 0.00 0.00 61.98 60.51 1jmf s VAL 145 Cb -0.04 -2.45 0.45 0.00 0.00 0.00 0.00 36.38 34.34 1jmf s VAL 145 CO -0.08 -0.30 1.44 -1.22 0.00 0.00 0.00 175.10 174.95 1jmf n TYR 146 N -0.58 0.69 -0.08 5.22 4.01 -1.26 -0.12 117.16 125.04 1jmf n TYR 146 Ca -0.05 0.70 -0.10 0.00 -0.16 0.00 0.00 57.90 58.28 1jmf n TYR 146 Cb 0.63 -1.13 -0.03 0.00 -0.31 0.00 0.00 39.34 38.50 1jmf n TYR 146 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jmf h GLY 147 N 0.00 0.43 2.00 2.72 0.00 -1.78 0.13 103.07 106.57 1jmf h GLY 147 Ca 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1jmf h GLY 147 CO -0.46 0.23 0.00 1.48 0.00 0.00 0.00 176.54 177.79 1jmf h SER 148 N 0.26 0.00 0.18 0.19 4.64 -0.72 -1.02 113.55 117.07 1jmf h SER 148 Ca 0.08 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.08 1jmf h SER 148 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1jmf h SER 148 CO -0.00 0.00 -1.56 1.56 -0.87 0.00 0.00 176.83 175.95 1jmf h GLN 149 N 0.00 0.39 -0.02 4.77 4.20 -0.93 -1.78 115.11 121.74 1jmf h GLN 149 Ca 0.00 -0.66 -0.05 0.00 0.06 0.00 0.00 58.65 58.00 1jmf h GLN 149 Cb 0.76 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1jmf h GLN 149 CO 0.00 1.32 -0.18 -1.49 -0.67 0.00 0.00 178.83 177.81 1jmf h TRP 150 N -0.01 0.22 -0.46 2.96 4.06 -0.76 -3.38 115.95 118.58 1jmf h TRP 150 Ca -0.31 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.54 1jmf h TRP 150 Cb 2.01 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 30.14 1jmf h TRP 150 CO 0.12 0.85 0.00 0.54 -3.56 0.00 0.00 178.44 176.39 1jmf n ARG 151 N -4.57 2.89 -2.66 0.49 1.74 -0.39 -1.22 116.66 112.94 1jmf n ARG 151 Ca -0.09 -2.31 -0.05 0.00 -0.77 0.00 0.00 57.85 54.62 1jmf n ARG 151 Cb 0.45 -1.42 0.10 0.00 -1.02 0.00 0.00 32.46 30.57 1jmf n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jmf n ALA 152 N 0.80 0.97 -1.67 7.54 0.00 -0.70 -4.24 120.51 123.22 1jmf n ALA 152 Ca 0.16 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.09 1jmf n ALA 152 Cb 0.53 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1jmf n ALA 152 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jmf n TRP 153 N -0.74 2.54 -2.62 0.00 -0.00 0.42 -4.48 117.44 112.56 1jmf n TRP 153 Ca -0.09 -0.32 -0.42 0.00 -0.00 0.00 0.00 57.50 56.67 1jmf n TRP 153 Cb 0.82 -2.79 -0.03 0.00 -0.00 0.00 0.00 31.31 29.31 1jmf n TRP 153 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 1jmf s HIS 154 N 4.06 3.54 0.44 5.87 3.76 -1.26 -0.01 115.29 131.70 1jmf s HIS 154 Ca 0.87 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 57.39 1jmf s HIS 154 Cb -0.45 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.03 1jmf s HIS 154 CO 0.41 -0.44 0.61 0.95 -0.85 0.00 0.00 174.74 175.42 1jmf s THR 155 N 1.31 3.22 -1.50 1.30 -4.23 0.01 -4.96 115.64 110.78 1jmf s THR 155 Ca 0.53 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 1jmf s THR 155 Cb -0.23 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.60 1jmf s THR 155 CO 0.26 -0.06 1.00 -1.54 -0.54 0.00 0.00 174.62 173.74 1jmf n SER 156 N -1.95 0.00 -1.00 3.99 3.41 -1.26 -1.80 113.62 115.00 1jmf n SER 156 Ca 0.06 0.15 -0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1jmf n SER 156 Cb 0.59 -0.25 0.21 0.00 -0.26 0.00 0.00 64.21 64.50 1jmf n SER 156 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jmf n LYS 157 N -1.25 1.97 -2.25 4.33 4.76 -1.26 -4.94 118.16 119.51 1jmf n LYS 157 Ca 0.03 -3.10 -0.20 0.00 -2.87 0.00 0.00 58.31 52.17 1jmf n LYS 157 Cb 0.04 -1.79 -0.02 0.00 -1.84 0.00 0.00 35.03 31.42 1jmf n LYS 157 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jmf n GLY 158 N -1.04 -0.06 3.61 0.72 0.00 -0.75 -4.98 105.19 102.70 1jmf n GLY 158 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 1jmf n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jmf n ASP 159 N -1.87 2.90 -4.02 1.61 2.03 -1.25 -4.91 116.55 111.03 1jmf n ASP 159 Ca -0.23 -2.92 -0.18 0.00 0.52 0.00 0.00 54.79 51.98 1jmf n ASP 159 Cb 0.68 0.08 -0.14 0.00 -0.72 0.00 0.00 41.12 41.01 1jmf n ASP 159 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1jmf s THR 160 N -2.67 0.66 -0.05 5.18 2.01 -1.26 -0.81 115.64 118.71 1jmf s THR 160 Ca 0.21 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.86 1jmf s THR 160 Cb -0.02 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1jmf s THR 160 CO 0.13 0.15 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.35 1jmf s ILE 161 N -0.27 2.25 -1.02 1.82 -1.09 0.99 -4.85 121.20 119.04 1jmf s ILE 161 Ca 0.03 -1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1jmf s ILE 161 Cb -0.04 -1.82 0.28 0.00 -1.58 0.00 0.00 42.46 39.30 1jmf s ILE 161 CO -0.00 0.57 1.18 -0.67 -1.23 0.00 0.00 174.94 174.79 1jmf n ASP 162 N 2.73 5.53 -0.22 3.58 2.03 -1.26 -0.43 116.55 128.50 1jmf n ASP 162 Ca -0.17 -3.25 -0.00 0.00 0.52 0.00 0.00 54.79 51.89 1jmf n ASP 162 Cb 0.52 -1.22 0.07 0.00 -0.72 0.00 0.00 41.12 39.77 1jmf n ASP 162 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1jmf h GLN 163 N 5.80 -0.01 -0.11 -0.67 4.20 -1.46 0.74 115.11 123.61 1jmf h GLN 163 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1jmf h GLN 163 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1jmf h GLN 163 CO 1.11 -0.01 0.02 1.25 -0.67 0.00 0.00 178.83 180.53 1jmf h LEU 164 N -0.01 0.17 -0.13 1.46 5.85 -1.82 0.16 115.31 120.98 1jmf h LEU 164 Ca 0.31 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1jmf h LEU 164 Cb 0.49 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1jmf h LEU 164 CO -0.68 0.36 -0.16 1.23 -0.34 0.00 0.00 178.44 178.85 1jmf h GLY 165 N -0.04 -0.10 0.79 3.75 0.00 -1.65 0.14 103.07 105.96 1jmf h GLY 165 Ca 0.03 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1jmf h GLY 165 CO 0.00 -0.16 0.12 -0.55 0.00 0.00 0.00 176.54 175.95 1jmf h ASP 166 N -0.20 0.15 -0.71 0.19 3.32 -0.81 -2.05 116.42 116.31 1jmf h ASP 166 Ca 0.09 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.23 1jmf h ASP 166 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1jmf h ASP 166 CO -0.25 0.12 0.47 0.58 -1.72 0.00 0.00 179.24 178.44 1jmf h VAL 167 N 0.26 1.04 -0.50 -1.35 2.07 -0.10 -0.30 116.25 117.37 1jmf h VAL 167 Ca 0.13 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1jmf h VAL 167 Cb 0.08 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1jmf h VAL 167 CO -0.12 0.14 0.12 0.40 0.02 0.00 0.00 177.57 178.13 1jmf h ILE 168 N 0.77 1.24 -0.21 4.57 2.04 -0.32 -0.65 117.51 124.95 1jmf h ILE 168 Ca 0.30 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1jmf h ILE 168 Cb 0.21 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1jmf h ILE 168 CO -0.10 0.30 -0.14 -0.08 0.00 0.00 0.00 178.15 178.14 1jmf h GLU 169 N 0.69 0.34 -0.22 2.37 4.57 -0.72 -1.74 114.58 119.86 1jmf h GLU 169 Ca 0.16 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1jmf h GLU 169 Cb 0.33 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1jmf h GLU 169 CO 0.00 0.49 -0.03 1.96 -1.18 0.00 0.00 179.01 180.25 1jmf h GLN 170 N 0.32 0.41 -0.98 1.92 1.08 -0.58 -2.10 115.11 115.19 1jmf h GLN 170 Ca 0.06 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.20 1jmf h GLN 170 Cb 0.45 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 1jmf h GLN 170 CO 0.03 0.63 0.63 0.82 -0.95 0.00 0.00 178.83 179.99 1jmf h ILE 171 N 0.16 1.03 -0.50 2.54 2.04 -0.63 0.95 117.51 123.10 1jmf h ILE 171 Ca 0.06 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1jmf h ILE 171 Cb 0.47 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1jmf h ILE 171 CO 0.02 0.20 -0.02 0.11 0.00 0.00 0.00 178.15 178.45 1jmf h LYS 172 N 1.08 0.85 0.00 2.37 1.57 -1.04 -3.00 116.57 118.40 1jmf h LYS 172 Ca 0.44 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1jmf h LYS 172 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1jmf h LYS 172 CO -0.19 0.86 -1.86 0.25 -0.57 0.00 0.00 179.45 177.94 1jmf n THR 173 N -4.20 0.16 -3.06 -0.16 -2.24 -0.71 -4.74 114.28 99.34 1jmf n THR 173 Ca 0.02 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 1jmf n THR 173 Cb 0.32 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1jmf n THR 173 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jmf n HIS 174 N -2.19 -0.98 0.33 4.78 8.25 0.32 -4.98 115.22 120.76 1jmf n HIS 174 Ca -0.07 -3.18 0.21 0.00 -0.26 0.00 0.00 57.72 54.43 1jmf n HIS 174 Cb 0.54 0.19 1.17 0.00 1.12 0.00 0.00 29.99 33.01 1jmf n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jmf h PRO 175 N 3.53 0.00 -0.45 -0.41 0.13 -1.59 -1.89 132.00 131.32 1jmf h PRO 175 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1jmf h PRO 175 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1jmf h PRO 175 CO 0.41 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 1jmf n TYR 176 N -3.23 0.60 -2.15 1.56 4.01 -1.26 -3.31 117.16 113.39 1jmf n TYR 176 Ca -0.03 -0.30 -0.36 0.00 -0.16 0.00 0.00 57.90 57.05 1jmf n TYR 176 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1jmf n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jmf s SER 177 N -1.07 5.62 -0.17 7.72 0.15 -0.71 -4.94 113.70 120.31 1jmf s SER 177 Ca 0.32 2.32 0.16 0.00 0.70 0.00 0.00 55.95 59.45 1jmf s SER 177 Cb 0.17 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.46 1jmf s SER 177 CO 0.23 -1.29 1.48 0.54 1.20 0.00 0.00 173.24 175.39 1jmf n ARG 178 N -1.18 3.35 -0.48 5.44 1.74 -1.26 -4.42 116.66 119.85 1jmf n ARG 178 Ca 0.11 -2.82 0.05 0.00 -0.77 0.00 0.00 57.85 54.42 1jmf n ARG 178 Cb 0.49 -1.87 0.19 0.00 -1.02 0.00 0.00 32.46 30.26 1jmf n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jmf n ARG 179 N -0.07 1.72 -2.12 5.56 3.00 -1.26 -4.88 116.66 118.61 1jmf n ARG 179 Ca 0.22 -3.02 -0.42 0.00 -0.01 0.00 0.00 57.85 54.61 1jmf n ARG 179 Cb 0.90 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.70 1jmf n ARG 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jmf n LEU 180 N -1.14 6.62 -4.30 0.55 4.77 -1.26 -4.91 117.00 117.32 1jmf n LEU 180 Ca 0.22 -4.40 -0.31 0.00 -0.03 0.00 0.00 56.01 51.49 1jmf n LEU 180 Cb 0.78 -1.57 -0.16 0.00 -2.33 0.00 0.00 43.42 40.14 1jmf n LEU 180 CO 0.05 1.19 -0.57 -0.63 -1.33 0.00 0.00 177.39 176.10 1jmf s ILE 181 N 1.77 2.02 -0.10 -0.08 1.01 -1.26 0.03 121.20 124.59 1jmf s ILE 181 Ca 0.43 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1jmf s ILE 181 Cb 0.11 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1jmf s ILE 181 CO -0.03 0.57 -0.23 -0.69 0.00 0.00 0.00 174.94 174.56 1jmf s VAL 182 N -0.55 1.96 0.05 2.92 1.01 -1.04 -4.96 120.40 119.79 1jmf s VAL 182 Ca 0.08 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1jmf s VAL 182 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1jmf s VAL 182 CO -0.00 0.54 -0.20 -0.55 0.00 0.00 0.00 175.10 174.88 1jmf s SER 183 N 0.39 3.65 -0.01 3.32 0.15 -1.26 -2.78 113.70 117.16 1jmf s SER 183 Ca -0.18 -0.48 0.09 0.00 0.70 0.00 0.00 55.95 56.08 1jmf s SER 183 Cb -0.18 -0.52 -0.12 0.00 -1.71 0.00 0.00 66.02 63.49 1jmf s SER 183 CO 0.08 0.25 0.31 0.00 1.20 0.00 0.00 173.24 175.08 1jmf n ALA 184 N 1.53 2.82 -2.58 5.45 0.00 -0.76 -4.64 120.51 122.32 1jmf n ALA 184 Ca -0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1jmf n ALA 184 Cb 0.52 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1jmf n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jmf s TRP 185 N -2.22 2.96 -0.29 0.00 -0.11 -1.21 -4.78 118.94 113.30 1jmf s TRP 185 Ca 0.00 0.52 0.00 0.00 1.22 0.00 0.00 56.10 57.84 1jmf s TRP 185 Cb 0.07 -3.89 0.05 0.00 -1.50 0.00 0.00 33.47 28.20 1jmf s TRP 185 CO 0.38 -1.02 -0.04 1.21 -4.62 0.00 0.00 176.95 172.86 1jmf s ASN 186 N 2.16 4.73 0.32 5.86 3.84 -1.26 -5.00 114.94 125.59 1jmf s ASN 186 Ca 0.38 -1.33 0.10 0.00 0.21 0.00 0.00 52.86 52.22 1jmf s ASN 186 Cb -0.10 -1.65 0.95 0.00 -0.55 0.00 0.00 41.25 39.89 1jmf s ASN 186 CO 0.24 -0.24 1.68 -0.65 -2.79 0.00 0.00 177.10 175.34 1jmf h PRO 187 N 7.91 0.36 -0.69 0.43 0.11 -2.01 -1.13 132.00 136.97 1jmf h PRO 187 Ca -0.20 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.83 1jmf h PRO 187 Cb 1.05 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1jmf h PRO 187 CO 0.51 0.24 0.19 1.49 -0.21 0.00 0.00 178.00 180.22 1jmf h GLU 188 N 0.37 1.09 0.07 1.05 4.81 -2.03 -3.33 114.58 116.60 1jmf h GLU 188 Ca 0.67 -0.25 -0.29 0.00 -0.13 0.00 0.00 59.36 59.36 1jmf h GLU 188 Cb 1.43 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1jmf h GLU 188 CO -0.58 0.95 -1.56 -0.44 -0.73 0.00 0.00 179.01 176.66 1jmf h ASP 189 N 1.03 0.22 -0.47 1.04 5.19 -1.66 -3.39 116.42 118.38 1jmf h ASP 189 Ca 0.22 -0.35 0.11 0.00 -0.62 0.00 0.00 57.03 56.39 1jmf h ASP 189 Cb 0.33 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1jmf h ASP 189 CO -0.00 1.30 0.33 -0.37 -3.12 0.00 0.00 179.24 177.37 1jmf h VAL 190 N 0.04 0.83 -0.12 -1.35 -1.51 -1.53 -2.44 116.25 110.17 1jmf h VAL 190 Ca -0.24 -0.05 0.03 0.00 -1.23 0.00 0.00 66.70 65.21 1jmf h VAL 190 Cb 1.98 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1jmf h VAL 190 CO 0.13 0.03 0.11 -0.65 -1.23 0.00 0.00 177.57 175.95 1jmf h PRO 191 N 0.15 0.00 0.00 5.19 0.11 -1.75 -2.91 132.00 132.78 1jmf h PRO 191 Ca 0.22 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1jmf h PRO 191 Cb 0.69 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 1jmf h PRO 191 CO -0.03 0.00 -0.43 0.25 -0.21 0.00 0.00 178.00 177.58 1jmf n THR 192 N -4.08 1.38 -3.39 -1.15 -2.24 -0.95 -5.06 114.28 98.80 1jmf n THR 192 Ca -0.00 -2.03 -0.34 0.00 -2.27 0.00 0.00 64.05 59.41 1jmf n THR 192 Cb 0.22 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1jmf n THR 192 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1jmf s MET 193 N -2.06 3.91 0.02 -0.78 -1.94 -1.06 -4.99 119.30 112.40 1jmf s MET 193 Ca 0.29 0.40 -0.25 0.00 -1.71 0.00 0.00 55.69 54.42 1jmf s MET 193 Cb 0.28 -2.86 -0.17 0.00 2.01 0.00 0.00 34.83 34.09 1jmf s MET 193 CO -0.04 0.44 1.40 0.00 -0.01 0.00 0.00 175.02 176.81 1jmf h ALA 194 N 3.29 -0.21 -2.88 3.03 0.00 -1.92 -3.41 119.26 117.15 1jmf h ALA 194 Ca -0.48 -0.16 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 1jmf h ALA 194 Cb 1.19 0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.66 1jmf h ALA 194 CO 0.67 -0.48 -0.78 -1.17 0.00 0.00 0.00 179.25 177.48 1jmf s LEU 195 N -9.63 1.67 0.34 0.00 2.96 -1.26 -5.12 118.68 107.63 1jmf s LEU 195 Ca -0.15 -1.96 -0.27 0.00 -0.22 0.00 0.00 54.13 51.53 1jmf s LEU 195 Cb 0.03 -0.67 -0.13 0.00 0.50 0.00 0.00 46.19 45.92 1jmf s LEU 195 CO 0.62 -0.36 1.16 -2.65 -1.32 0.00 0.00 176.35 173.80 1jmf n PRO 196 N 4.39 1.75 -1.66 0.98 -0.02 -1.26 -4.82 135.00 134.36 1jmf n PRO 196 Ca 0.04 0.62 -0.51 0.00 -2.02 0.00 0.00 63.50 61.62 1jmf n PRO 196 Cb 0.39 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1jmf n PRO 196 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jmf n PRO 197 N 0.54 1.64 0.00 0.52 -0.02 -1.26 -4.88 135.00 131.55 1jmf n PRO 197 Ca 0.07 0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 1jmf n PRO 197 Cb 0.35 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 1jmf n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jmf n HIS 199 N -4.29 4.02 -0.29 0.00 8.25 -1.26 -1.40 115.22 120.25 1jmf n HIS 199 Ca -0.11 -2.92 0.03 0.00 -0.26 0.00 0.00 57.72 54.46 1jmf n HIS 199 Cb 0.66 -2.59 0.17 0.00 1.12 0.00 0.00 29.99 29.34 1jmf n HIS 199 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1jmf h THR 200 N 4.66 0.90 -1.52 1.59 2.02 -1.59 -3.43 112.91 115.53 1jmf h THR 200 Ca 0.52 -0.26 0.12 0.00 0.77 0.00 0.00 66.41 67.56 1jmf h THR 200 Cb 0.74 0.06 -0.23 0.00 -1.74 0.00 0.00 68.15 66.98 1jmf h THR 200 CO 1.71 0.14 0.63 -0.22 0.37 0.00 0.00 175.52 178.15 1jmf s LEU 201 N -10.28 -0.30 0.09 2.58 0.20 -1.16 -1.83 118.68 107.98 1jmf s LEU 201 Ca -0.12 0.29 0.02 0.00 0.69 0.00 0.00 54.13 55.00 1jmf s LEU 201 Cb 0.19 1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 47.62 1jmf s LEU 201 CO 0.78 -0.30 -0.06 -0.72 -0.29 0.00 0.00 176.35 175.75 1jmf s TYR 202 N -1.32 0.83 -0.03 5.38 1.13 -1.12 -0.26 117.35 121.97 1jmf s TYR 202 Ca 0.01 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 54.80 1jmf s TYR 202 Cb -0.01 -0.49 0.01 0.00 -1.10 0.00 0.00 41.96 40.38 1jmf s TYR 202 CO -0.01 -0.16 -0.05 -1.14 -2.51 0.00 0.00 175.55 171.68 1jmf s GLN 203 N -3.61 0.70 0.39 -3.49 0.74 0.18 -2.50 119.66 112.07 1jmf s GLN 203 Ca 0.09 -0.13 -0.00 0.00 0.05 0.00 0.00 55.36 55.37 1jmf s GLN 203 Cb 0.04 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.41 1jmf s GLN 203 CO -0.05 -0.02 0.61 -0.06 -0.55 0.00 0.00 175.29 175.23 1jmf s PHE 204 N 0.59 3.44 -0.21 1.67 0.08 0.10 -1.38 117.98 122.27 1jmf s PHE 204 Ca -0.08 0.38 -0.27 0.00 0.12 0.00 0.00 56.93 57.08 1jmf s PHE 204 Cb -0.11 -2.05 0.09 0.00 -0.57 0.00 0.00 43.02 40.38 1jmf s PHE 204 CO 0.00 -0.05 0.80 -0.47 -0.10 0.00 0.00 175.22 175.41 1jmf s TYR 205 N -2.43 -0.65 0.04 0.36 6.14 -0.76 -4.49 117.35 115.55 1jmf s TYR 205 Ca 0.43 1.46 0.04 0.00 0.64 0.00 0.00 57.07 59.64 1jmf s TYR 205 Cb -0.10 0.34 -0.02 0.00 0.42 0.00 0.00 41.96 42.60 1jmf s TYR 205 CO 0.38 -0.40 -0.11 0.08 0.64 0.00 0.00 175.55 176.14 1jmf s VAL 206 N -0.14 0.87 -0.26 3.14 1.01 -1.21 -0.79 120.40 123.02 1jmf s VAL 206 Ca -0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 1jmf s VAL 206 Cb -0.03 -0.82 0.17 0.00 0.00 0.00 0.00 36.38 35.70 1jmf s VAL 206 CO 0.02 -0.09 1.26 0.21 0.00 0.00 0.00 175.10 176.50 1jmf s ASN 207 N -1.14 -0.17 -1.19 3.32 2.47 -0.70 -4.66 114.94 112.87 1jmf s ASN 207 Ca -0.02 0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1jmf s ASN 207 Cb -0.08 0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.95 1jmf s ASN 207 CO 0.01 -0.11 0.00 0.47 -3.72 0.00 0.00 177.10 173.75 1jmf n ASP 208 N 1.10 -4.08 -0.48 -4.21 8.00 -1.26 -0.60 116.55 115.01 1jmf n ASP 208 Ca -0.07 0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.56 1jmf n ASP 208 Cb 0.58 -3.50 -0.03 0.00 -0.02 0.00 0.00 41.12 38.15 1jmf n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jmf n GLY 209 N -0.75 0.84 3.31 0.44 0.00 -1.26 -5.00 105.19 102.76 1jmf n GLY 209 Ca -0.16 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1jmf n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmf s LYS 210 N -2.19 1.64 -0.08 1.61 1.02 0.23 -1.23 119.74 120.74 1jmf s LYS 210 Ca 0.00 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 54.91 1jmf s LYS 210 Cb 0.00 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1jmf s LYS 210 CO 0.00 0.46 0.09 -1.17 -0.92 0.00 0.00 175.35 173.81 1jmf s LEU 211 N -1.20 4.04 0.11 3.17 2.96 0.62 -1.73 118.68 126.64 1jmf s LEU 211 Ca 0.10 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1jmf s LEU 211 Cb -0.09 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1jmf s LEU 211 CO 0.02 0.36 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.84 1jmf s SER 212 N -1.17 1.85 -0.02 3.68 0.01 0.03 -0.18 113.70 117.91 1jmf s SER 212 Ca 0.17 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1jmf s SER 212 Cb -0.12 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.07 1jmf s SER 212 CO 0.06 -0.15 -0.01 -0.22 0.41 0.00 0.00 173.24 173.34 1jmf s LEU 213 N -2.30 1.52 -0.18 2.44 0.20 -0.92 -1.82 118.68 117.62 1jmf s LEU 213 Ca 0.06 -0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.85 1jmf s LEU 213 Cb -0.06 -0.18 0.01 0.00 -0.43 0.00 0.00 46.19 45.54 1jmf s LEU 213 CO 0.02 -0.04 -0.17 -1.58 -0.29 0.00 0.00 176.35 174.28 1jmf s GLN 214 N 0.56 3.06 -0.06 1.98 0.74 -0.48 -0.77 119.66 124.69 1jmf s GLN 214 Ca -0.05 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 54.52 1jmf s GLN 214 Cb -0.08 -2.63 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1jmf s GLN 214 CO -0.01 -0.19 0.11 -1.17 -0.55 0.00 0.00 175.29 173.48 1jmf s LEU 215 N 1.28 4.12 -0.30 3.68 2.96 0.10 -0.65 118.68 129.86 1jmf s LEU 215 Ca 0.04 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1jmf s LEU 215 Cb -0.13 -2.20 0.07 0.00 0.50 0.00 0.00 46.19 44.43 1jmf s LEU 215 CO -0.11 0.34 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.78 1jmf s TYR 216 N -1.11 3.43 -0.33 5.38 6.14 0.64 -1.34 117.35 130.16 1jmf s TYR 216 Ca 0.19 -2.41 -0.09 0.00 0.64 0.00 0.00 57.07 55.40 1jmf s TYR 216 Cb -0.12 -2.36 0.01 0.00 0.42 0.00 0.00 41.96 39.91 1jmf s TYR 216 CO 0.10 -0.89 0.15 -1.14 0.64 0.00 0.00 175.55 174.41 1jmf s GLN 217 N 1.09 3.05 0.33 4.97 0.74 -0.61 -2.34 119.66 126.89 1jmf s GLN 217 Ca -0.01 -0.91 0.03 0.00 0.05 0.00 0.00 55.36 54.52 1jmf s GLN 217 Cb -0.20 -3.57 0.63 0.00 1.10 0.00 0.00 33.01 30.97 1jmf s GLN 217 CO -0.05 -0.54 1.92 0.07 -0.55 0.00 0.00 175.29 176.15 1jmf h ARG 218 N 8.34 0.87 -3.22 1.67 0.11 -1.54 -0.90 114.38 119.72 1jmf h ARG 218 Ca -0.29 -0.05 -0.22 0.00 0.10 0.00 0.00 59.98 59.52 1jmf h ARG 218 Cb 1.12 -0.20 -0.30 0.00 1.11 0.00 0.00 29.97 31.71 1jmf h ARG 218 CO 0.63 0.58 -0.55 0.45 0.10 0.00 0.00 179.97 181.18 1jmf s SER 219 N -6.05 -0.17 -0.04 0.08 0.15 -1.26 0.18 113.70 106.59 1jmf s SER 219 Ca -0.11 0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 1jmf s SER 219 Cb 0.20 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1jmf s SER 219 CO 0.79 -0.13 0.06 0.00 1.20 0.00 0.00 173.24 175.16 1jmf s ALA 220 N 0.91 0.12 -0.68 5.45 0.00 0.18 -4.88 121.76 122.87 1jmf s ALA 220 Ca -0.07 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 1jmf s ALA 220 Cb -0.08 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1jmf s ALA 220 CO -0.05 -0.36 1.27 0.34 0.00 0.00 0.00 175.76 176.97 1jmf s ASP 221 N 1.78 6.23 0.22 0.00 -1.08 -1.26 -0.39 116.67 122.17 1jmf s ASP 221 Ca -0.00 -0.22 -0.10 0.00 -0.52 0.00 0.00 52.55 51.71 1jmf s ASP 221 Cb -0.12 -2.56 0.32 0.00 -1.46 0.00 0.00 42.92 39.10 1jmf s ASP 221 CO -0.03 -1.73 1.67 0.40 0.52 0.00 0.00 175.17 175.99 1jmf h ILE 222 N 6.11 0.49 0.38 4.11 1.08 -1.20 -0.80 117.51 127.68 1jmf h ILE 222 Ca -0.27 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1jmf h ILE 222 Cb 1.06 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1jmf h ILE 222 CO 1.24 0.03 -0.18 0.15 -0.69 0.00 0.00 178.15 178.70 1jmf h PHE 223 N 0.14 -0.47 0.00 1.37 3.57 -1.91 -3.35 116.94 116.29 1jmf h PHE 223 Ca 0.34 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1jmf h PHE 223 Cb 0.55 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1jmf h PHE 223 CO -0.35 -0.27 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.25 1jmf h LEU 224 N -1.13 0.00 0.14 0.59 3.38 -1.96 -3.41 115.31 112.93 1jmf h LEU 224 Ca -0.05 -0.92 -0.32 0.00 0.09 0.00 0.00 57.88 56.68 1jmf h LEU 224 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jmf h LEU 224 CO 0.09 1.03 -1.62 1.23 0.09 0.00 0.00 178.44 179.26 1jmf h GLY 225 N -1.00 0.33 0.75 0.83 0.00 -1.57 -3.40 103.07 99.01 1jmf h GLY 225 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 47.33 46.49 1jmf h GLY 225 CO -0.02 0.73 0.15 -2.08 0.00 0.00 0.00 176.54 175.33 1jmf h VAL 226 N 0.08 0.93 -0.83 4.60 2.07 -1.31 -1.90 116.25 119.89 1jmf h VAL 226 Ca -0.28 -0.11 0.17 0.00 0.82 0.00 0.00 66.70 67.29 1jmf h VAL 226 Cb 2.04 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1jmf h VAL 226 CO 0.16 0.06 0.55 -0.65 0.02 0.00 0.00 177.57 177.71 1jmf h PRO 227 N 0.32 0.45 0.03 1.57 0.11 -1.76 -0.91 132.00 131.81 1jmf h PRO 227 Ca 0.16 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1jmf h PRO 227 Cb 0.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1jmf h PRO 227 CO -0.14 0.30 -0.01 0.74 -0.21 0.00 0.00 178.00 178.67 1jmf h PHE 228 N 0.46 -0.04 -0.83 0.65 -1.00 -1.68 -3.15 116.94 111.35 1jmf h PHE 228 Ca 0.42 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.36 1jmf h PHE 228 Cb 0.94 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.45 1jmf h PHE 228 CO -0.00 0.64 0.55 0.00 -1.61 0.00 0.00 178.31 177.89 1jmf h ALA 229 N 0.08 2.03 -0.48 2.45 0.00 -0.59 0.26 119.26 123.01 1jmf h ALA 229 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jmf h ALA 229 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1jmf h ALA 229 CO 0.01 -0.26 -0.07 0.82 0.00 0.00 0.00 179.25 179.74 1jmf h ILE 230 N 0.51 1.26 -0.07 0.00 2.04 -1.26 -2.79 117.51 117.19 1jmf h ILE 230 Ca 0.42 -1.15 -0.20 0.00 1.00 0.00 0.00 64.86 64.93 1jmf h ILE 230 Cb 0.86 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1jmf h ILE 230 CO -0.16 0.40 -0.72 0.00 0.00 0.00 0.00 178.15 177.66 1jmf h ALA 231 N 1.14 0.19 0.63 1.87 0.00 -0.81 -2.74 119.26 119.54 1jmf h ALA 231 Ca 0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1jmf h ALA 231 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jmf h ALA 231 CO 0.03 0.53 -0.35 0.77 0.00 0.00 0.00 179.25 180.24 1jmf h SER 232 N 0.26 -0.85 0.40 0.00 0.02 -0.60 -2.45 113.55 110.32 1jmf h SER 232 Ca -0.07 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1jmf h SER 232 Cb 1.38 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1jmf h SER 232 CO 0.15 -0.55 -0.14 1.88 -1.14 0.00 0.00 176.83 177.02 1jmf h TYR 233 N -0.90 0.00 -0.09 3.45 0.05 -1.64 -1.34 116.97 116.49 1jmf h TYR 233 Ca -0.09 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.50 1jmf h TYR 233 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1jmf h TYR 233 CO 0.01 0.14 -0.76 0.00 -1.05 0.00 0.00 178.16 176.50 1jmf h ALA 234 N 1.86 0.50 -0.74 3.88 0.00 -1.49 -1.47 119.26 121.80 1jmf h ALA 234 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1jmf h ALA 234 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jmf h ALA 234 CO 0.02 0.74 0.24 1.25 0.00 0.00 0.00 179.25 181.50 1jmf h LEU 235 N 0.35 1.07 -0.29 0.00 5.85 -0.88 -1.89 115.31 119.52 1jmf h LEU 235 Ca -0.04 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1jmf h LEU 235 Cb 1.36 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1jmf h LEU 235 CO 0.14 0.99 0.18 0.25 -0.34 0.00 0.00 178.44 179.66 1jmf h LEU 236 N 1.09 0.34 -1.54 2.25 5.85 -1.07 -0.94 115.31 121.30 1jmf h LEU 236 Ca 0.24 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1jmf h LEU 236 Cb 0.29 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1jmf h LEU 236 CO -0.01 0.28 0.41 0.74 -0.34 0.00 0.00 178.44 179.51 1jmf h THR 237 N 0.37 0.97 -0.04 1.05 2.02 -0.81 -0.80 112.91 115.68 1jmf h THR 237 Ca 0.10 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1jmf h THR 237 Cb -0.01 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1jmf h THR 237 CO -0.02 0.10 -0.12 0.45 0.37 0.00 0.00 175.52 176.30 1jmf h HIS 238 N 0.55 0.19 0.32 3.16 3.86 -0.56 -2.79 115.15 119.87 1jmf h HIS 238 Ca 0.27 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1jmf h HIS 238 Cb 0.35 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1jmf h HIS 238 CO -0.00 0.74 -0.42 -0.07 0.86 0.00 0.00 177.93 179.03 1jmf h LEU 239 N -0.42 -1.19 -0.80 2.43 3.38 -0.70 0.84 115.31 118.85 1jmf h LEU 239 Ca -0.00 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1jmf h LEU 239 Cb 0.74 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1jmf h LEU 239 CO 0.02 -0.55 0.43 0.58 0.09 0.00 0.00 178.44 179.02 1jmf h VAL 240 N -0.79 0.83 -0.11 1.22 2.07 -1.29 -0.81 116.25 117.38 1jmf h VAL 240 Ca -0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1jmf h VAL 240 Cb 0.74 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1jmf h VAL 240 CO -0.13 0.13 0.01 0.00 0.02 0.00 0.00 177.57 177.60 1jmf h ALA 241 N 1.48 0.14 -0.66 1.67 0.00 -1.17 -0.02 119.26 120.70 1jmf h ALA 241 Ca 0.41 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1jmf h ALA 241 Cb 0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1jmf h ALA 241 CO -0.29 -0.20 0.44 1.25 0.00 0.00 0.00 179.25 180.45 1jmf h HIS 242 N -0.06 0.44 -0.06 0.00 6.17 -0.31 0.23 115.15 121.56 1jmf h HIS 242 Ca 0.03 0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.94 1jmf h HIS 242 Cb 0.30 -0.14 0.01 0.00 2.52 0.00 0.00 27.41 30.10 1jmf h HIS 242 CO 0.02 0.19 -0.66 1.49 0.71 0.00 0.00 177.93 179.68 1jmf h GLU 243 N 0.40 0.55 -0.16 5.26 4.57 -0.64 -3.21 114.58 121.35 1jmf h GLU 243 Ca 0.31 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1jmf h GLU 243 Cb 0.68 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1jmf h GLU 243 CO -0.09 1.14 0.00 0.00 -1.18 0.00 0.00 179.01 178.88 1jmf n GLY 245 N 0.99 -0.48 3.62 0.00 0.00 0.66 -4.98 105.19 104.99 1jmf n GLY 245 Ca 0.13 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 1jmf n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jmf s LEU 246 N -6.96 2.88 0.33 0.99 1.43 -0.27 -5.03 118.68 112.04 1jmf s LEU 246 Ca 0.37 -1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.14 1jmf s LEU 246 Cb -0.16 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 1jmf s LEU 246 CO 0.73 -0.39 0.59 -1.61 0.23 0.00 0.00 176.35 175.90 1jmf s GLU 247 N -3.71 3.60 -0.01 1.70 2.02 -0.37 -4.35 118.70 117.59 1jmf s GLU 247 Ca 0.35 -0.02 -0.18 0.00 0.02 0.00 0.00 54.97 55.14 1jmf s GLU 247 Cb 0.07 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.64 1jmf s GLU 247 CO 0.18 0.15 0.51 0.54 0.02 0.00 0.00 175.26 176.65 1jmf s VAL 248 N -2.21 4.96 0.00 2.63 0.11 -1.26 -0.28 120.40 124.35 1jmf s VAL 248 Ca 0.44 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.54 1jmf s VAL 248 Cb -0.10 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1jmf s VAL 248 CO 0.33 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 173.19 1jmf n GLY 249 N 2.25 0.77 3.54 6.54 0.00 0.75 -4.52 105.19 114.51 1jmf n GLY 249 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1jmf n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jmf s GLU 250 N 1.89 1.93 -0.13 1.61 2.02 -1.25 -0.90 118.70 123.88 1jmf s GLU 250 Ca 0.00 -1.41 -0.00 0.00 0.02 0.00 0.00 54.97 53.57 1jmf s GLU 250 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1jmf s GLU 250 CO 0.00 0.40 -0.11 0.12 0.02 0.00 0.00 175.26 175.69 1jmf s PHE 251 N -1.91 2.84 -0.16 1.61 5.36 0.14 -2.17 117.98 123.69 1jmf s PHE 251 Ca 0.26 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1jmf s PHE 251 Cb -0.08 -1.85 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1jmf s PHE 251 CO 0.15 -0.14 -0.15 0.42 -1.46 0.00 0.00 175.22 174.03 1jmf s ILE 252 N 0.25 1.71 -0.27 3.12 1.01 0.05 -0.76 121.20 126.31 1jmf s ILE 252 Ca -0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1jmf s ILE 252 Cb -0.15 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1jmf s ILE 252 CO 0.05 0.43 0.06 -2.28 0.00 0.00 0.00 174.94 173.20 1jmf s HIS 253 N 1.42 3.10 -0.05 3.97 2.46 -0.85 -0.73 115.29 124.62 1jmf s HIS 253 Ca 0.04 -0.77 0.02 0.00 0.47 0.00 0.00 55.06 54.82 1jmf s HIS 253 Cb -0.13 -2.23 -0.03 0.00 -0.13 0.00 0.00 32.58 30.06 1jmf s HIS 253 CO -0.11 -0.49 -0.08 0.99 -2.47 0.00 0.00 174.74 172.57 1jmf s THR 254 N 1.54 3.57 0.15 0.89 2.01 -0.45 -0.53 115.64 122.82 1jmf s THR 254 Ca 0.04 -0.59 0.11 0.00 0.31 0.00 0.00 61.69 61.56 1jmf s THR 254 Cb -0.16 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1jmf s THR 254 CO 0.02 0.55 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.89 1jmf s PHE 255 N -0.84 2.25 0.00 4.92 0.40 0.26 -1.57 117.98 123.41 1jmf s PHE 255 Ca 0.13 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1jmf s PHE 255 Cb -0.11 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.24 1jmf s PHE 255 CO 0.03 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.75 1jmf n GLY 256 N 0.65 0.05 3.40 4.36 0.00 -0.34 -3.06 105.19 110.25 1jmf n GLY 256 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 1jmf n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmf s ASP 257 N -1.00 6.52 -0.25 1.61 -1.08 0.13 -1.75 116.67 120.84 1jmf s ASP 257 Ca 0.00 -1.99 -0.21 0.00 -0.52 0.00 0.00 52.55 49.83 1jmf s ASP 257 Cb 0.00 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 39.12 1jmf s ASP 257 CO 0.00 -0.97 0.66 0.00 0.52 0.00 0.00 175.17 175.38 1jmf s ALA 258 N 2.09 3.62 0.10 3.66 0.00 -0.60 -0.64 121.76 129.99 1jmf s ALA 258 Ca 0.22 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1jmf s ALA 258 Cb -0.12 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1jmf s ALA 258 CO -0.04 -0.82 -0.07 -3.38 0.00 0.00 0.00 175.76 171.45 1jmf s HIS 259 N 2.54 0.90 -0.24 0.00 -3.43 0.48 -1.53 115.29 114.00 1jmf s HIS 259 Ca 0.27 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.64 1jmf s HIS 259 Cb -0.15 -0.52 0.07 0.00 -1.43 0.00 0.00 32.58 30.55 1jmf s HIS 259 CO 0.08 -0.14 -0.01 -1.17 -2.00 0.00 0.00 174.74 171.51 1jmf s LEU 260 N -2.98 2.40 0.34 5.38 2.96 -0.42 -0.54 118.68 125.81 1jmf s LEU 260 Ca 0.11 -1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 52.50 1jmf s LEU 260 Cb 0.04 -1.05 -0.12 0.00 0.50 0.00 0.00 46.19 45.56 1jmf s LEU 260 CO -0.04 -0.28 1.30 -1.22 -1.32 0.00 0.00 176.35 174.79 1jmf n TYR 261 N 4.74 2.29 -0.14 5.38 4.01 -1.26 -2.00 117.16 130.19 1jmf n TYR 261 Ca -0.09 0.54 0.21 0.00 -0.16 0.00 0.00 57.90 58.40 1jmf n TYR 261 Cb 0.44 -2.42 0.61 0.00 -0.31 0.00 0.00 39.34 37.66 1jmf n TYR 261 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1jmf h VAL 262 N 2.59 0.70 -0.08 -0.72 2.07 -1.07 0.13 116.25 119.87 1jmf h VAL 262 Ca -0.46 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jmf h VAL 262 Cb 1.28 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1jmf h VAL 262 CO 0.64 0.04 0.00 -0.46 0.02 0.00 0.00 177.57 177.80 1jmf n ASN 263 N -4.41 0.67 -0.00 0.57 0.23 -1.26 -3.59 115.26 107.47 1jmf n ASN 263 Ca 0.15 -1.60 0.07 0.00 -0.53 0.00 0.00 54.58 52.67 1jmf n ASN 263 Cb 0.69 -0.05 -0.08 0.00 -2.08 0.00 0.00 39.78 38.26 1jmf n ASN 263 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1jmf n HIS 264 N -0.31 0.00 -0.31 -2.53 8.25 0.44 -4.75 115.22 116.01 1jmf n HIS 264 Ca 0.13 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.74 1jmf n HIS 264 Cb 0.16 -0.05 0.34 0.00 1.12 0.00 0.00 29.99 31.56 1jmf n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1jmf h LEU 265 N 0.00 0.38 -0.24 2.41 3.38 -1.61 -1.60 115.31 118.03 1jmf h LEU 265 Ca 0.00 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1jmf h LEU 265 Cb 0.38 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jmf h LEU 265 CO 0.00 -0.01 -0.21 0.44 0.09 0.00 0.00 178.44 178.75 1jmf h ASP 266 N 0.41 0.60 -0.97 -0.43 3.32 -1.87 -2.70 116.42 114.77 1jmf h ASP 266 Ca 0.59 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1jmf h ASP 266 Cb 1.16 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 1jmf h ASP 266 CO -0.54 0.94 0.64 1.56 -1.72 0.00 0.00 179.24 180.13 1jmf h GLN 267 N 0.28 1.26 -0.28 3.56 7.50 -1.65 -0.75 115.11 125.02 1jmf h GLN 267 Ca 0.04 -0.08 -0.18 0.00 0.50 0.00 0.00 58.65 58.94 1jmf h GLN 267 Cb 0.76 -0.28 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 1jmf h GLN 267 CO 0.05 0.83 -0.53 0.97 -1.50 0.00 0.00 178.83 178.66 1jmf h ILE 268 N 1.30 1.28 -0.47 2.54 6.09 -1.32 -1.36 117.51 125.56 1jmf h ILE 268 Ca 0.36 -1.72 -0.07 0.00 -1.37 0.00 0.00 64.86 62.06 1jmf h ILE 268 Cb -0.12 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 38.77 1jmf h ILE 268 CO -0.09 0.56 0.01 0.11 -3.07 0.00 0.00 178.15 175.67 1jmf h LYS 269 N 0.64 0.78 -0.20 2.19 1.57 -1.13 -0.20 116.57 120.21 1jmf h LYS 269 Ca 0.02 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1jmf h LYS 269 Cb 1.12 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1jmf h LYS 269 CO 0.12 0.78 -0.08 1.49 -0.57 0.00 0.00 179.45 181.18 1jmf h GLU 270 N 0.73 -0.04 -0.58 3.15 4.81 -0.91 -2.02 114.58 119.71 1jmf h GLU 270 Ca 0.14 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1jmf h GLU 270 Cb 0.43 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1jmf h GLU 270 CO 0.02 -0.03 0.12 0.37 -0.73 0.00 0.00 179.01 178.76 1jmf h GLN 271 N -0.05 0.92 0.00 1.92 4.15 -0.51 -2.43 115.11 119.11 1jmf h GLN 271 Ca 0.11 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1jmf h GLN 271 Cb 0.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1jmf h GLN 271 CO -0.23 0.83 0.00 1.28 -1.93 0.00 0.00 178.83 178.78 1jmf n LEU 272 N -4.25 0.00 -0.92 -2.39 4.77 -0.16 -1.96 117.00 112.09 1jmf n LEU 272 Ca 0.04 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1jmf n LEU 272 Cb 0.25 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.49 1jmf n LEU 272 CO 0.41 0.00 0.62 -1.54 -1.33 0.00 0.00 177.39 175.55 1jmf n SER 273 N -0.74 3.01 -4.90 -1.43 3.41 -0.92 -4.97 113.62 107.09 1jmf n SER 273 Ca 0.06 -1.89 -0.26 0.00 -0.26 0.00 0.00 58.87 56.52 1jmf n SER 273 Cb 0.03 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1jmf n SER 273 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jmf s ARG 274 N -1.45 3.27 -0.19 4.33 0.52 -0.83 -5.11 118.95 119.49 1jmf s ARG 274 Ca 0.30 -0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1jmf s ARG 274 Cb 0.18 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 1jmf s ARG 274 CO 0.26 0.51 0.01 0.99 0.02 0.00 0.00 175.30 177.10 1jmf s THR 275 N -1.73 4.17 0.53 0.02 2.01 -1.26 -5.07 115.64 114.31 1jmf s THR 275 Ca 0.33 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1jmf s THR 275 Cb -0.11 -2.88 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 1jmf s THR 275 CO 0.27 0.44 1.33 -2.65 -0.69 0.00 0.00 174.62 173.32 1jmf n PRO 276 N 3.94 1.70 -3.50 4.92 -0.02 -1.26 -4.89 135.00 135.89 1jmf n PRO 276 Ca -0.17 0.62 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 1jmf n PRO 276 Cb 0.52 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1jmf n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jmf s ARG 277 N -2.79 2.57 0.57 -0.52 1.81 -1.26 -5.07 118.95 114.26 1jmf s ARG 277 Ca 0.70 -1.50 -0.19 0.00 -1.72 0.00 0.00 55.73 53.02 1jmf s ARG 277 Cb -0.43 -2.43 -0.06 0.00 -0.45 0.00 0.00 34.95 31.59 1jmf s ARG 277 CO 0.50 -0.20 0.93 -2.30 -0.68 0.00 0.00 175.30 173.55 1jmf n PRO 278 N -1.58 0.94 -2.75 3.54 -0.02 -1.26 -4.91 135.00 128.96 1jmf n PRO 278 Ca 0.04 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 1jmf n PRO 278 Cb 0.61 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1jmf n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jmf s ALA 279 N -1.50 3.32 1.31 3.55 0.00 -1.26 -4.81 121.76 122.37 1jmf s ALA 279 Ca 0.73 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 1jmf s ALA 279 Cb -0.44 -3.21 0.34 0.00 0.00 0.00 0.00 23.12 19.81 1jmf s ALA 279 CO 0.49 0.20 0.96 -1.25 0.00 0.00 0.00 175.76 176.17 1jmf s PRO 280 N -1.30 -2.10 -0.03 0.00 0.04 -1.26 -4.57 135.00 125.79 1jmf s PRO 280 Ca 0.42 0.53 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1jmf s PRO 280 Cb -0.25 -1.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 1jmf s PRO 280 CO 0.31 -4.43 -0.25 0.99 0.04 0.00 0.00 177.00 173.66 1jmf s THR 281 N -2.30 2.02 -0.17 1.26 2.01 0.13 -0.50 115.64 118.09 1jmf s THR 281 Ca 0.69 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 1jmf s THR 281 Cb -0.20 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1jmf s THR 281 CO 0.62 0.57 0.15 -0.22 -0.69 0.00 0.00 174.62 175.05 1jmf s LEU 282 N -0.50 4.27 -0.21 4.42 2.96 -1.26 0.07 118.68 128.43 1jmf s LEU 282 Ca 0.07 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1jmf s LEU 282 Cb -0.11 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.53 1jmf s LEU 282 CO 0.00 0.25 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.62 1jmf s GLN 283 N -0.09 1.83 -0.05 1.98 0.74 0.11 -4.96 119.66 119.22 1jmf s GLN 283 Ca 0.11 -0.90 -0.04 0.00 0.05 0.00 0.00 55.36 54.57 1jmf s GLN 283 Cb -0.12 -2.48 -0.04 0.00 1.10 0.00 0.00 33.01 31.48 1jmf s GLN 283 CO 0.00 -0.51 0.16 -0.51 -0.55 0.00 0.00 175.29 173.89 1jmf s LEU 284 N 1.40 4.35 -0.00 3.68 1.43 -1.26 -0.27 118.68 128.00 1jmf s LEU 284 Ca -0.03 0.38 -0.33 0.00 -1.03 0.00 0.00 54.13 53.12 1jmf s LEU 284 Cb -0.17 -2.38 -0.12 0.00 0.03 0.00 0.00 46.19 43.55 1jmf s LEU 284 CO -0.07 0.32 1.82 -3.20 0.23 0.00 0.00 176.35 175.45 1jmf n ASN 285 N 1.37 3.50 0.17 2.29 2.85 -0.24 -4.87 115.26 120.32 1jmf n ASN 285 Ca -0.15 0.99 0.05 0.00 -0.11 0.00 0.00 54.58 55.37 1jmf n ASN 285 Cb 0.54 -1.41 0.19 0.00 1.24 0.00 0.00 39.78 40.34 1jmf n ASN 285 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1jmf h PRO 286 N 8.56 0.00 -0.09 1.20 0.11 -1.96 -3.29 132.00 136.53 1jmf h PRO 286 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1jmf h PRO 286 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jmf h PRO 286 CO 0.93 0.39 -0.37 -0.44 -0.21 0.00 0.00 178.00 178.31 1jmf h ASP 287 N 0.00 0.48 -3.72 -2.05 3.32 -2.01 -3.44 116.42 109.00 1jmf h ASP 287 Ca -0.00 -0.63 -0.50 0.00 0.02 0.00 0.00 57.03 55.91 1jmf h ASP 287 Cb 1.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1jmf h ASP 287 CO 0.05 1.03 0.39 -0.54 -1.72 0.00 0.00 179.24 178.45 1jmf s LYS 288 N -3.70 4.77 0.00 3.56 1.02 -1.24 -4.95 119.74 119.19 1jmf s LYS 288 Ca -0.14 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.42 1jmf s LYS 288 Cb 0.04 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1jmf s LYS 288 CO 0.79 0.37 0.00 0.72 -0.92 0.00 0.00 175.35 176.31 1jmf n HIS 289 N 1.70 0.00 -2.74 3.18 8.25 -1.26 -4.87 115.22 119.47 1jmf n HIS 289 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1jmf n HIS 289 Cb 0.47 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 1jmf n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jmf s ASP 290 N -1.66 6.22 0.59 0.41 2.15 -1.26 -4.43 116.67 118.68 1jmf s ASP 290 Ca 0.00 -0.92 0.29 0.00 0.43 0.00 0.00 52.55 52.35 1jmf s ASP 290 Cb 0.00 -2.47 1.67 0.00 -0.30 0.00 0.00 42.92 41.82 1jmf s ASP 290 CO 0.00 -1.55 2.10 0.16 -0.17 0.00 0.00 175.17 175.71 1jmf h ILE 291 N 6.04 0.45 0.00 4.11 3.07 -1.92 0.24 117.51 129.50 1jmf h ILE 291 Ca -0.22 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.19 1jmf h ILE 291 Cb 1.06 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1jmf h ILE 291 CO 1.22 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 178.06 1jmf h PHE 292 N 0.00 0.00 -0.01 0.16 0.04 -1.88 -1.46 116.94 113.78 1jmf h PHE 292 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1jmf h PHE 292 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1jmf h PHE 292 CO 0.00 0.00 -0.50 -3.47 -0.60 0.00 0.00 178.31 173.74 1jmf n ASP 293 N -2.85 1.86 -4.58 2.17 2.03 0.82 -4.81 116.55 111.19 1jmf n ASP 293 Ca -0.00 -1.43 -0.39 0.00 0.52 0.00 0.00 54.79 53.49 1jmf n ASP 293 Cb 0.21 0.53 0.04 0.00 -0.72 0.00 0.00 41.12 41.18 1jmf n ASP 293 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1jmf n PHE 294 N -0.18 0.59 -4.35 -0.67 3.01 -0.55 -5.01 117.46 110.29 1jmf n PHE 294 Ca 0.08 0.46 -0.20 0.00 1.01 0.00 0.00 57.45 58.81 1jmf n PHE 294 Cb 0.43 -2.12 -0.10 0.00 -0.01 0.00 0.00 39.48 37.68 1jmf n PHE 294 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jmf s ASP 295 N -1.12 2.65 0.44 4.37 2.15 -1.26 -5.03 116.67 118.88 1jmf s ASP 295 Ca 0.71 -0.97 0.26 0.00 0.43 0.00 0.00 52.55 52.98 1jmf s ASP 295 Cb -0.45 -0.15 1.29 0.00 -0.30 0.00 0.00 42.92 43.31 1jmf s ASP 295 CO 0.51 -0.12 1.73 0.24 -0.17 0.00 0.00 175.17 177.36 1jmf h MET 296 N 2.76 0.22 0.00 4.34 2.86 -1.96 0.15 114.93 123.31 1jmf h MET 296 Ca -0.39 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1jmf h MET 296 Cb 1.22 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1jmf h MET 296 CO 0.58 0.15 0.00 1.63 1.06 0.00 0.00 176.91 180.33 1jmf n LYS 297 N -4.54 0.18 -0.01 1.72 4.01 -1.26 -3.38 118.16 114.88 1jmf n LYS 297 Ca 0.29 0.04 0.14 0.00 -0.51 0.00 0.00 58.31 58.27 1jmf n LYS 297 Cb 1.12 -1.50 0.49 0.00 -0.51 0.00 0.00 35.03 34.64 1jmf n LYS 297 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1jmf n ASP 298 N -1.40 1.58 -3.93 4.39 8.00 0.53 -4.76 116.55 120.96 1jmf n ASP 298 Ca 0.09 -1.54 -0.30 0.00 0.71 0.00 0.00 54.79 53.75 1jmf n ASP 298 Cb 0.26 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.20 1jmf n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jmf s ILE 299 N -1.98 1.50 -0.00 0.53 1.01 -1.22 -1.08 121.20 119.96 1jmf s ILE 299 Ca 0.37 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1jmf s ILE 299 Cb 0.21 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1jmf s ILE 299 CO 0.33 -0.14 0.02 -0.54 0.00 0.00 0.00 174.94 174.61 1jmf s LYS 300 N 1.40 2.86 -0.24 2.79 -0.14 0.63 -4.98 119.74 122.05 1jmf s LYS 300 Ca -0.05 -0.58 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 1jmf s LYS 300 Cb -0.19 -2.72 0.05 0.00 -1.68 0.00 0.00 37.83 33.30 1jmf s LYS 300 CO -0.07 0.63 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.87 1jmf s LEU 301 N -1.61 3.05 0.03 3.17 2.96 -1.26 0.10 118.68 125.10 1jmf s LEU 301 Ca 0.20 -1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 52.85 1jmf s LEU 301 Cb -0.12 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1jmf s LEU 301 CO 0.11 -0.18 0.22 -0.76 -1.32 0.00 0.00 176.35 174.42 1jmf s LEU 302 N 1.20 4.36 -1.35 -0.68 1.43 0.11 -4.63 118.68 119.13 1jmf s LEU 302 Ca -0.06 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.32 1jmf s LEU 302 Cb -0.19 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1jmf s LEU 302 CO -0.06 0.21 1.14 0.59 0.23 0.00 0.00 176.35 178.46 1jmf n ASN 303 N 0.68 -5.50 -4.47 2.29 5.03 -1.26 0.20 115.26 112.22 1jmf n ASN 303 Ca -0.08 -0.58 -0.43 0.00 0.87 0.00 0.00 54.58 54.36 1jmf n ASN 303 Cb 0.52 -4.95 -0.06 0.00 -1.02 0.00 0.00 39.78 34.27 1jmf n ASN 303 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1jmf s TYR 304 N -3.33 2.97 -0.56 3.10 5.04 -1.26 -4.03 117.35 119.28 1jmf s TYR 304 Ca 0.49 -0.34 0.04 0.00 -2.44 0.00 0.00 57.07 54.82 1jmf s TYR 304 Cb -0.22 -3.70 0.15 0.00 0.35 0.00 0.00 41.96 38.54 1jmf s TYR 304 CO 0.74 -1.13 0.36 0.34 -1.34 0.00 0.00 175.55 174.52 1jmf s ASP 305 N 2.69 3.94 0.45 4.32 2.15 -1.26 -5.10 116.67 123.87 1jmf s ASP 305 Ca 0.20 -3.25 0.04 0.00 0.43 0.00 0.00 52.55 49.98 1jmf s ASP 305 Cb -0.17 -1.32 0.01 0.00 -0.30 0.00 0.00 42.92 41.15 1jmf s ASP 305 CO 0.15 -0.17 0.64 -2.16 -0.17 0.00 0.00 175.17 173.45 1jmf s PRO 306 N -0.53 2.83 0.61 4.34 0.04 -1.26 -4.86 135.00 136.17 1jmf s PRO 306 Ca 0.22 -0.89 -0.13 0.00 0.04 0.00 0.00 61.00 60.24 1jmf s PRO 306 Cb -0.13 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1jmf s PRO 306 CO -0.09 -0.36 1.03 0.71 0.04 0.00 0.00 177.00 178.33 1jmf s TYR 307 N -2.50 3.40 0.73 0.56 1.51 -0.18 -4.89 117.35 115.99 1jmf s TYR 307 Ca 0.53 1.39 -0.16 0.00 -1.01 0.00 0.00 57.07 57.81 1jmf s TYR 307 Cb -0.10 -2.80 -0.03 0.00 -0.11 0.00 0.00 41.96 38.91 1jmf s TYR 307 CO 0.35 -0.78 0.54 -0.35 -1.11 0.00 0.00 175.55 174.20 1jmf n PRO 308 N -2.48 0.27 -2.16 -1.71 -0.04 -1.26 -2.05 135.00 125.58 1jmf n PRO 308 Ca 0.07 0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.33 1jmf n PRO 308 Cb 0.54 -1.85 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1jmf n PRO 308 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jmf s ALA 309 N -1.94 2.70 -0.16 0.55 0.00 -1.26 -3.80 121.76 117.86 1jmf s ALA 309 Ca 0.65 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 1jmf s ALA 309 Cb -0.34 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1jmf s ALA 309 CO 0.58 -0.78 -0.03 0.42 0.00 0.00 0.00 175.76 175.95 1jmf s ILE 310 N -2.14 3.95 -0.08 0.00 1.01 -1.26 -4.91 121.20 117.76 1jmf s ILE 310 Ca 0.68 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 1jmf s ILE 310 Cb -0.19 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1jmf s ILE 310 CO 0.31 0.49 0.31 -0.54 0.00 0.00 0.00 174.94 175.51 1jmf s LYS 311 N 0.36 3.92 -0.09 2.79 1.02 -1.26 -5.07 119.74 121.41 1jmf s LYS 311 Ca -0.04 0.18 -0.18 0.00 0.02 0.00 0.00 55.97 55.95 1jmf s LYS 311 Cb -0.14 -3.28 0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1jmf s LYS 311 CO 0.03 0.56 0.43 0.00 -0.92 0.00 0.00 175.35 175.45 1jmf s ALA 312 N -0.53 -1.09 0.30 5.17 0.00 -1.26 -4.97 121.76 119.38 1jmf s ALA 312 Ca 0.19 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1jmf s ALA 312 Cb -0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 1jmf s ALA 312 CO 0.08 -0.26 1.24 -1.25 0.00 0.00 0.00 175.76 175.57 1jmf s PRO 313 N -0.59 4.45 -0.72 0.00 0.04 -1.26 -4.96 135.00 131.96 1jmf s PRO 313 Ca -0.07 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 1jmf s PRO 313 Cb -0.03 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1jmf s PRO 313 CO 0.03 -0.06 1.48 0.08 0.04 0.00 0.00 177.00 178.57 1jmf s VAL 314 N -1.05 3.62 -0.15 -0.36 1.01 -1.26 -4.94 120.40 117.27 1jmf s VAL 314 Ca 0.48 0.26 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1jmf s VAL 314 Cb -0.37 -4.62 -0.09 0.00 0.00 0.00 0.00 36.38 31.30 1jmf s VAL 314 CO 0.48 -1.56 2.06 0.00 0.00 0.00 0.00 175.10 176.07 1jmf n ALA 315 N 10.46 1.31 -1.11 5.51 0.00 -1.26 -5.07 120.51 130.35 1jmf n ALA 315 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1jmf n ALA 315 Cb 0.50 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1jmf n ALA 315 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83