#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irs s LYS 2 N 0.00 4.24 -0.07 3.23 2.20 -1.26 -4.88 119.74 123.20 3irs s LYS 2 Ca 0.00 0.77 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 3irs s LYS 2 Cb 0.00 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3irs s LYS 2 CO 0.00 0.61 -0.09 0.42 -0.36 0.00 0.00 175.35 175.93 3irs s ILE 3 N -1.03 0.96 -0.26 5.43 1.01 -1.20 -4.24 121.20 121.88 3irs s ILE 3 Ca 0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 3irs s ILE 3 Cb -0.20 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3irs s ILE 3 CO 0.19 0.33 0.06 -0.63 0.00 0.00 0.00 174.94 174.89 3irs s ILE 4 N 0.99 4.06 -0.42 2.92 1.01 0.43 -1.09 121.20 129.09 3irs s ILE 4 Ca -0.09 -0.39 -0.27 0.00 0.00 0.00 0.00 60.65 59.90 3irs s ILE 4 Cb -0.15 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.39 3irs s ILE 4 CO 0.00 0.27 1.03 -0.62 0.00 0.00 0.00 174.94 175.62 3irs s ASP 5 N 1.56 6.66 0.00 3.58 -1.08 -0.18 -4.64 116.67 122.57 3irs s ASP 5 Ca 0.05 0.50 0.26 0.00 -0.52 0.00 0.00 52.55 52.84 3irs s ASP 5 Cb -0.16 -2.51 1.50 0.00 -1.46 0.00 0.00 42.92 40.30 3irs s ASP 5 CO 0.02 -1.06 1.90 0.33 0.52 0.00 0.00 175.17 176.88 3irs n PHE 6 N 7.29 0.00 -3.36 -5.34 7.35 0.22 -0.33 117.46 123.29 3irs n PHE 6 Ca 0.09 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.59 3irs n PHE 6 Cb 0.48 -0.06 -0.08 0.00 0.35 0.00 0.00 39.48 40.17 3irs n PHE 6 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3irs s ARG 7 N -2.11 0.67 -0.13 -4.13 3.52 -1.26 -4.71 118.95 110.79 3irs s ARG 7 Ca 0.36 -1.08 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3irs s ARG 7 Cb 0.18 -0.87 0.04 0.00 -1.56 0.00 0.00 34.95 32.74 3irs s ARG 7 CO 0.32 -1.22 -0.02 -1.17 -0.81 0.00 0.00 175.30 172.40 3irs s LEU 8 N 1.20 1.12 -0.38 -0.88 0.20 -0.77 -1.51 118.68 117.66 3irs s LEU 8 Ca 0.19 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 3irs s LEU 8 Cb -0.15 -0.67 0.09 0.00 -0.43 0.00 0.00 46.19 45.03 3irs s LEU 8 CO -0.03 -0.21 0.15 -0.13 -0.29 0.00 0.00 176.35 175.84 3irs s ARG 9 N 1.81 2.18 0.55 1.98 3.00 -0.37 -3.78 118.95 124.32 3irs s ARG 9 Ca 0.02 -1.62 -0.18 0.00 0.00 0.00 0.00 55.73 53.96 3irs s ARG 9 Cb -0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 34.95 31.26 3irs s ARG 9 CO -0.07 -0.93 1.06 -1.25 0.00 0.00 0.00 175.30 174.11 3irs s PRO 10 N 1.20 3.49 -1.21 3.54 0.04 -1.26 -4.11 135.00 136.68 3irs s PRO 10 Ca 0.04 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 3irs s PRO 10 Cb -0.22 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3irs s PRO 10 CO -0.03 -0.68 1.99 -0.35 0.04 0.00 0.00 177.00 177.97 3irs n PRO 11 N -1.60 2.42 -3.85 0.56 -0.04 -1.26 -4.69 135.00 126.54 3irs n PRO 11 Ca 0.09 -2.55 -0.12 0.00 -0.04 0.00 0.00 63.50 60.88 3irs n PRO 11 Cb 0.53 -3.31 -0.12 0.00 -0.04 0.00 0.00 33.50 30.56 3irs n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3irs s ALA 12 N 5.03 -0.30 0.00 0.55 0.00 -1.26 -4.21 121.76 121.57 3irs s ALA 12 Ca 0.54 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3irs s ALA 12 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3irs s ALA 12 CO 0.04 -0.12 0.00 -1.33 0.00 0.00 0.00 175.76 174.34 3irs n MET 13 N 2.35 0.00 0.31 0.00 2.81 -1.26 -1.98 117.12 119.36 3irs n MET 13 Ca -0.17 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 55.92 3irs n MET 13 Cb 0.57 0.00 1.01 0.00 -0.71 0.00 0.00 33.22 34.09 3irs n MET 13 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3irs h GLY 14 N 0.00 0.00 0.97 3.03 0.00 -1.93 -2.40 103.07 102.74 3irs h GLY 14 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3irs h GLY 14 CO 0.00 0.00 0.44 0.74 0.00 0.00 0.00 176.54 177.72 3irs h PHE 15 N 0.00 0.56 0.00 5.60 0.04 -1.69 0.11 116.94 121.55 3irs h PHE 15 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3irs h PHE 15 Cb 0.18 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3irs h PHE 15 CO 0.00 0.26 0.00 -0.07 -0.60 0.00 0.00 178.31 177.90 3irs h LEU 16 N 0.52 0.00 0.00 1.54 3.38 -1.54 -1.93 115.31 117.29 3irs h LEU 16 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3irs h LEU 16 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3irs h LEU 16 CO -0.10 0.00 -0.25 0.78 0.09 0.00 0.00 178.44 178.96 3irs h ASN 17 N 0.00 0.00 -4.13 -0.43 2.35 -0.96 -3.32 115.58 109.09 3irs h ASN 17 Ca 0.00 -0.08 -0.48 0.00 -0.55 0.00 0.00 56.30 55.19 3irs h ASN 17 Cb 0.19 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.60 3irs h ASN 17 CO 0.00 0.04 0.38 0.00 -1.65 0.00 0.00 177.43 176.20 3irs s ALA 18 N -3.13 2.83 0.57 -0.83 0.00 -0.72 -4.21 121.76 116.26 3irs s ALA 18 Ca 0.09 0.49 0.27 0.00 0.00 0.00 0.00 51.96 52.80 3irs s ALA 18 Cb 0.12 -3.23 1.52 0.00 0.00 0.00 0.00 23.12 21.53 3irs s ALA 18 CO 0.65 -0.52 2.03 -0.09 0.00 0.00 0.00 175.76 177.83 3irs h ARG 19 N 1.04 0.00 -0.04 0.00 2.43 -1.50 0.37 114.38 116.68 3irs h ARG 19 Ca -0.48 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3irs h ARG 19 Cb 1.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3irs h ARG 19 CO 0.58 0.00 0.03 -0.84 -1.51 0.00 0.00 179.97 178.24 3irs h ILE 20 N 0.00 0.70 0.00 1.20 3.07 -1.88 -1.47 117.51 119.12 3irs h ILE 20 Ca 0.16 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.37 3irs h ILE 20 Cb 0.75 0.98 -0.04 0.00 -0.27 0.00 0.00 36.82 38.24 3irs h ILE 20 CO -0.00 0.00 -1.73 -1.22 -1.05 0.00 0.00 178.15 174.15 3irs n TYR 21 N -4.11 0.00 0.26 0.16 4.01 -0.07 -4.67 117.16 112.74 3irs n TYR 21 Ca -0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.87 3irs n TYR 21 Cb 0.13 -0.50 0.56 0.00 -0.31 0.00 0.00 39.34 39.21 3irs n TYR 21 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3irs h THR 22 N 0.00 0.11 -2.37 -0.72 1.35 -1.06 -3.30 112.91 106.92 3irs h THR 22 Ca -0.29 -0.71 -0.61 0.00 -0.55 0.00 0.00 66.41 64.25 3irs h THR 22 Cb 1.49 1.64 -0.42 0.00 -1.73 0.00 0.00 68.15 69.14 3irs h THR 22 CO -0.03 0.04 -0.57 0.54 -0.25 0.00 0.00 175.52 175.25 3irs n ARG 23 N -3.15 2.42 0.24 4.72 5.12 -0.56 -4.91 116.66 120.55 3irs n ARG 23 Ca 0.01 -4.64 0.07 0.00 -1.93 0.00 0.00 57.85 51.35 3irs n ARG 23 Cb 0.37 -2.27 0.57 0.00 -1.16 0.00 0.00 32.46 29.96 3irs n ARG 23 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3irs h PRO 24 N 4.41 0.00 -0.10 5.56 0.11 -1.80 -2.28 132.00 137.90 3irs h PRO 24 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3irs h PRO 24 Cb 0.68 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3irs h PRO 24 CO 0.82 0.12 0.05 0.38 -0.21 0.00 0.00 178.00 179.17 3irs h ASP 25 N 0.00 0.09 -0.29 -2.05 2.03 -1.93 0.15 116.42 114.41 3irs h ASP 25 Ca -0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 3irs h ASP 25 Cb 0.22 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 3irs h ASP 25 CO 0.02 0.07 0.04 0.40 -1.03 0.00 0.00 179.24 178.73 3irs h ILE 26 N 0.12 1.24 0.27 4.15 2.04 -1.81 -2.54 117.51 120.97 3irs h ILE 26 Ca 0.04 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3irs h ILE 26 Cb 0.00 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3irs h ILE 26 CO -0.02 0.27 -0.13 -0.09 0.00 0.00 0.00 178.15 178.17 3irs h ARG 27 N 0.30 -0.35 -0.98 2.37 2.43 -1.32 -1.97 114.38 114.85 3irs h ARG 27 Ca 0.09 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3irs h ARG 27 Cb 0.35 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 3irs h ARG 27 CO 0.01 -0.22 0.64 -0.91 -1.51 0.00 0.00 179.97 177.97 3irs h ASN 28 N -0.37 1.03 -0.83 -3.80 2.35 -0.69 0.73 115.58 114.00 3irs h ASN 28 Ca -0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3irs h ASN 28 Cb 0.28 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3irs h ASN 28 CO 0.06 0.67 0.40 0.03 -1.65 0.00 0.00 177.43 176.95 3irs h ARG 29 N 1.18 1.19 -0.07 0.81 3.08 -1.30 -0.59 114.38 118.68 3irs h ARG 29 Ca 0.41 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3irs h ARG 29 Cb 0.11 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3irs h ARG 29 CO -0.16 0.91 0.03 0.35 -1.07 0.00 0.00 179.97 180.03 3irs h PHE 30 N 1.17 0.10 -0.45 3.04 3.04 -0.49 -0.10 116.94 123.25 3irs h PHE 30 Ca 0.29 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.29 3irs h PHE 30 Cb 0.11 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.53 3irs h PHE 30 CO 0.01 0.21 0.13 1.15 -2.02 0.00 0.00 178.31 177.79 3irs h THR 31 N -0.04 0.81 0.00 4.41 2.02 -0.71 -1.15 112.91 118.25 3irs h THR 31 Ca 0.02 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 3irs h THR 31 Cb 0.15 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3irs h THR 31 CO -0.00 0.05 -0.48 0.03 0.37 0.00 0.00 175.52 175.49 3irs h ARG 32 N 0.28 0.00 -0.44 6.66 3.08 -1.00 -2.12 114.38 120.85 3irs h ARG 32 Ca 0.22 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 3irs h ARG 32 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3irs h ARG 32 CO -0.25 0.48 -0.25 0.37 -1.07 0.00 0.00 179.97 179.25 3irs h GLN 33 N 0.00 0.93 -0.99 0.04 4.15 -0.31 -2.89 115.11 116.04 3irs h GLN 33 Ca -0.00 -0.41 0.02 0.00 0.77 0.00 0.00 58.65 59.02 3irs h GLN 33 Cb 0.93 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.54 3irs h GLN 33 CO 0.06 1.07 0.66 -0.07 -1.93 0.00 0.00 178.83 178.62 3irs h LEU 34 N 0.80 1.12 0.00 -2.39 3.38 -0.95 -3.47 115.31 113.81 3irs h LEU 34 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3irs h LEU 34 Cb 0.82 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3irs h LEU 34 CO 0.07 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.01 3irs n GLY 35 N -1.38 0.26 3.79 0.83 0.00 -0.96 -4.91 105.19 102.81 3irs n GLY 35 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3irs n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3irs s PHE 36 N -1.10 2.91 0.21 1.61 0.08 -0.84 -5.00 117.98 115.85 3irs s PHE 36 Ca 0.00 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 3irs s PHE 36 Cb 0.00 -1.53 -0.07 0.00 -0.57 0.00 0.00 43.02 40.84 3irs s PHE 36 CO 0.00 0.40 0.58 -1.21 -0.10 0.00 0.00 175.22 174.89 3irs s GLU 37 N -3.86 3.90 0.48 0.44 0.41 -1.26 -3.28 118.70 115.52 3irs s GLU 37 Ca 0.36 0.41 -0.24 0.00 -0.41 0.00 0.00 54.97 55.10 3irs s GLU 37 Cb -0.06 -2.72 -0.08 0.00 -1.78 0.00 0.00 34.13 29.49 3irs s GLU 37 CO 0.24 0.35 1.24 -2.30 -0.49 0.00 0.00 175.26 174.30 3irs n PRO 38 N 0.16 1.71 -2.15 0.39 -0.02 -1.26 -4.51 135.00 129.32 3irs n PRO 38 Ca -0.01 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3irs n PRO 38 Cb 0.52 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3irs n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3irs s ALA 39 N -1.27 3.61 0.25 3.55 0.00 -1.26 -4.94 121.76 121.70 3irs s ALA 39 Ca 0.65 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.73 3irs s ALA 39 Cb -0.48 -3.54 0.51 0.00 0.00 0.00 0.00 23.12 19.61 3irs s ALA 39 CO 0.54 -0.63 1.71 -1.35 0.00 0.00 0.00 175.76 176.04 3irs h PRO 40 N 6.81 0.38 -0.70 0.00 0.11 -1.99 -1.09 132.00 135.51 3irs h PRO 40 Ca -0.42 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.78 3irs h PRO 40 Cb 1.21 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3irs h PRO 40 CO 0.87 0.25 0.47 0.66 -0.21 0.00 0.00 178.00 180.04 3irs h SER 41 N 0.39 0.44 0.04 -2.05 4.64 -1.86 -0.31 113.55 114.83 3irs h SER 41 Ca 0.44 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.61 3irs h SER 41 Cb 0.73 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3irs h SER 41 CO -0.46 0.25 -0.69 0.00 -0.87 0.00 0.00 176.83 175.07 3irs h ALA 42 N 1.66 0.03 -0.13 5.18 0.00 -1.54 0.22 119.26 124.68 3irs h ALA 42 Ca 0.33 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3irs h ALA 42 Cb 0.64 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3irs h ALA 42 CO -0.11 0.38 -0.26 0.93 0.00 0.00 0.00 179.25 180.18 3irs h GLU 43 N -0.14 0.23 -0.02 0.00 4.39 -0.85 -2.23 114.58 115.96 3irs h GLU 43 Ca -0.10 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3irs h GLU 43 Cb 1.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3irs h GLU 43 CO 0.13 0.48 -0.21 0.39 -1.16 0.00 0.00 179.01 178.65 3irs n GLU 44 N -4.15 1.43 -3.97 2.33 1.02 -0.17 -4.96 120.64 112.17 3irs n GLU 44 Ca -0.01 -1.04 -0.28 0.00 -0.02 0.00 0.00 57.16 55.81 3irs n GLU 44 Cb 0.37 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3irs n GLU 44 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3irs n LYS 45 N 0.12 -4.00 -3.83 3.49 5.02 -0.66 -4.95 118.16 113.35 3irs n LYS 45 Ca 0.13 0.47 -0.36 0.00 -2.02 0.00 0.00 58.31 56.53 3irs n LYS 45 Cb 0.44 -4.97 -0.13 0.00 -0.02 0.00 0.00 35.03 30.34 3irs n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3irs s SER 46 N -3.88 4.82 0.30 4.39 0.15 -0.02 -4.90 113.70 114.56 3irs s SER 46 Ca 0.32 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 3irs s SER 46 Cb -0.17 -1.81 0.47 0.00 -1.71 0.00 0.00 66.02 62.80 3irs s SER 46 CO 0.87 -0.15 1.92 0.25 1.20 0.00 0.00 173.24 177.34 3irs h LEU 47 N 8.16 0.82 0.54 3.45 5.85 -1.85 -2.10 115.31 130.19 3irs h LEU 47 Ca -0.33 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3irs h LEU 47 Cb 1.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3irs h LEU 47 CO 0.59 0.68 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.65 3irs h GLU 48 N 0.92 -0.87 -0.94 1.25 4.39 -1.95 -0.64 114.58 116.74 3irs h GLU 48 Ca 0.23 0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.07 3irs h GLU 48 Cb 0.06 0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 3irs h GLU 48 CO -0.03 -0.58 0.61 -0.07 -1.16 0.00 0.00 179.01 177.77 3irs h LEU 49 N -0.91 0.91 -0.56 1.33 3.38 -1.92 -2.23 115.31 115.32 3irs h LEU 49 Ca -0.06 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3irs h LEU 49 Cb 0.76 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3irs h LEU 49 CO 0.03 0.56 0.35 -0.03 0.09 0.00 0.00 178.44 179.44 3irs h MET 50 N 1.02 0.68 -0.82 1.13 4.05 -0.93 -1.48 114.93 118.58 3irs h MET 50 Ca 0.42 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 3irs h MET 50 Cb 0.28 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 3irs h MET 50 CO -0.17 0.45 0.48 0.74 0.23 0.00 0.00 176.91 178.63 3irs h PHE 51 N 0.70 1.09 -0.00 1.39 0.04 -0.53 0.46 116.94 120.09 3irs h PHE 51 Ca 0.22 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 3irs h PHE 51 Cb -0.01 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.78 3irs h PHE 51 CO -0.05 0.74 0.00 0.93 -0.60 0.00 0.00 178.31 179.33 3irs h GLU 52 N 1.14 0.01 -0.69 1.51 5.08 -1.12 -1.70 114.58 118.80 3irs h GLU 52 Ca 0.29 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3irs h GLU 52 Cb -0.02 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3irs h GLU 52 CO -0.05 0.08 0.43 0.93 -1.00 0.00 0.00 179.01 179.40 3irs h GLU 53 N -0.07 0.93 0.07 2.33 5.08 -0.97 -0.16 114.58 121.79 3irs h GLU 53 Ca 0.00 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3irs h GLU 53 Cb 0.08 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3irs h GLU 53 CO -0.00 0.65 -0.17 1.98 -1.00 0.00 0.00 179.01 180.46 3irs h MET 54 N 0.94 -0.31 -0.64 2.33 4.05 -0.83 -0.25 114.93 120.22 3irs h MET 54 Ca 0.25 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 3irs h MET 54 Cb -0.06 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 3irs h MET 54 CO -0.05 -0.21 0.35 0.00 0.23 0.00 0.00 176.91 177.23 3irs h ALA 55 N 0.54 0.82 0.00 0.39 0.00 -1.16 -0.32 119.26 119.53 3irs h ALA 55 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3irs h ALA 55 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3irs h ALA 55 CO -0.11 0.34 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 3irs h ALA 56 N 1.16 1.08 0.00 0.00 0.00 -0.84 -2.61 119.26 118.06 3irs h ALA 56 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3irs h ALA 56 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3irs h ALA 56 CO -0.04 0.13 -0.65 0.00 0.00 0.00 0.00 179.25 178.70 3irs h ALA 57 N 1.89 0.66 0.00 0.00 0.00 -0.67 -3.48 119.26 117.66 3irs h ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3irs h ALA 57 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3irs h ALA 57 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3irs n GLY 58 N 1.18 0.82 3.61 0.00 0.00 -0.85 -4.85 105.19 105.09 3irs n GLY 58 Ca 0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3irs n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irs s ILE 59 N -2.00 4.70 -0.04 -0.61 1.01 -0.19 -3.23 121.20 120.84 3irs s ILE 59 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 60.65 61.86 3irs s ILE 59 Cb 0.00 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.98 3irs s ILE 59 CO 0.00 -0.38 0.68 -0.08 0.00 0.00 0.00 174.94 175.15 3irs h GLU 60 N 8.27 0.16 -3.82 2.79 4.57 -1.39 -3.38 114.58 121.78 3irs h GLU 60 Ca -0.24 -0.27 -0.15 0.00 -1.18 0.00 0.00 59.36 57.52 3irs h GLU 60 Cb 1.09 0.10 -0.20 0.00 -0.16 0.00 0.00 28.75 29.58 3irs h GLU 60 CO 0.93 0.93 -0.61 -0.65 -1.18 0.00 0.00 179.01 178.43 3irs s GLN 61 N -2.60 0.42 0.00 1.92 -0.21 -1.11 -4.60 119.66 113.49 3irs s GLN 61 Ca -0.11 -0.60 0.06 0.00 0.02 0.00 0.00 55.36 54.74 3irs s GLN 61 Cb 0.07 0.16 -0.02 0.00 1.00 0.00 0.00 33.01 34.23 3irs s GLN 61 CO 0.82 -0.09 -0.18 0.20 -2.12 0.00 0.00 175.29 173.92 3irs s GLY 62 N -1.61 0.94 -0.46 3.09 0.00 0.30 -1.01 107.32 108.57 3irs s GLY 62 Ca -0.13 -0.85 -0.21 0.00 0.00 0.00 0.00 44.72 43.52 3irs s GLY 62 CO -0.01 -0.75 0.70 0.14 0.00 0.00 0.00 173.10 173.18 3irs s VAL 63 N -0.55 4.75 -1.01 1.40 1.01 0.56 -0.83 120.40 125.72 3irs s VAL 63 Ca 0.07 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 3irs s VAL 63 Cb -0.08 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.12 3irs s VAL 63 CO 0.00 -0.69 1.35 0.00 0.00 0.00 0.00 175.10 175.76 3irs s VAL 65 N 3.99 4.41 0.89 0.00 1.01 -1.25 -2.18 120.40 127.26 3irs s VAL 65 Ca 0.41 1.37 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 3irs s VAL 65 Cb -0.02 -4.47 0.13 0.00 0.00 0.00 0.00 36.38 32.02 3irs s VAL 65 CO -0.09 -0.72 1.14 -0.83 0.00 0.00 0.00 175.10 174.60 3irs s GLY 66 N 2.05 1.68 -0.10 4.51 0.00 0.18 -4.88 107.32 110.76 3irs s GLY 66 Ca 0.44 0.53 -0.07 0.00 0.00 0.00 0.00 44.72 45.62 3irs s GLY 66 CO 0.23 0.93 0.26 -1.60 0.00 0.00 0.00 173.10 172.92 3irs s ARG 67 N -4.70 0.25 -0.27 2.90 3.52 -1.26 -4.63 118.95 114.75 3irs s ARG 67 Ca 0.66 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.70 3irs s ARG 67 Cb -0.22 -0.02 0.10 0.00 -1.56 0.00 0.00 34.95 33.25 3irs s ARG 67 CO 0.58 -0.12 0.17 -0.80 -0.81 0.00 0.00 175.30 174.32 3irs s ASN 68 N 0.86 2.88 -0.14 -2.12 0.01 -1.26 -0.01 114.94 115.16 3irs s ASN 68 Ca -0.06 -1.04 -0.08 0.00 -0.71 0.00 0.00 52.86 50.97 3irs s ASN 68 Cb -0.07 -0.11 0.05 0.00 0.41 0.00 0.00 41.25 41.54 3irs s ASN 68 CO -0.06 -0.41 0.34 -0.55 -1.51 0.00 0.00 177.10 174.91 3irs s SER 69 N 2.18 -0.41 0.18 -1.22 0.15 -0.94 -4.29 113.70 109.34 3irs s SER 69 Ca 0.08 0.74 -0.13 0.00 0.70 0.00 0.00 55.95 57.35 3irs s SER 69 Cb -0.16 0.62 0.09 0.00 -1.71 0.00 0.00 66.02 64.87 3irs s SER 69 CO -0.32 -0.18 1.83 0.28 1.20 0.00 0.00 173.24 176.05 3irs h SER 70 N 7.16 0.71 -0.29 5.45 0.02 -1.84 -0.50 113.55 124.26 3irs h SER 70 Ca -0.38 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.39 3irs h SER 70 Cb 1.17 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 3irs h SER 70 CO 0.33 0.54 -0.33 0.58 -1.14 0.00 0.00 176.83 176.81 3irs h VAL 71 N 0.82 1.30 -0.20 2.27 2.07 -1.84 -3.36 116.25 117.31 3irs h VAL 71 Ca 0.22 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3irs h VAL 71 Cb -0.05 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3irs h VAL 71 CO -0.04 0.49 0.00 0.18 0.02 0.00 0.00 177.57 178.21 3irs n LEU 72 N -4.21 2.45 0.00 2.57 4.77 -1.21 -4.97 117.00 116.40 3irs n LEU 72 Ca -0.04 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 3irs n LEU 72 Cb 0.50 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3irs n LEU 72 CO 0.46 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3irs n GLY 73 N 0.48 -0.94 2.93 -0.72 0.00 -0.20 -1.30 105.19 105.43 3irs n GLY 73 Ca 0.09 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 3irs n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3irs s SER 74 N -3.15 0.45 -0.09 1.61 0.01 -1.26 -2.22 113.70 109.04 3irs s SER 74 Ca 0.00 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.24 3irs s SER 74 Cb 0.00 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 3irs s SER 74 CO 0.00 0.04 -0.23 0.54 0.41 0.00 0.00 173.24 174.00 3irs s VAL 75 N -0.03 2.14 0.43 3.43 0.11 0.98 -4.13 120.40 123.32 3irs s VAL 75 Ca 0.01 -1.00 -0.24 0.00 -2.93 0.00 0.00 61.98 57.81 3irs s VAL 75 Cb -0.02 -1.81 -0.08 0.00 -1.53 0.00 0.00 36.38 32.94 3irs s VAL 75 CO -0.00 0.56 1.20 -0.94 -3.33 0.00 0.00 175.10 172.59 3irs s SER 76 N 0.19 6.33 0.44 3.54 1.04 -1.26 -4.43 113.70 119.55 3irs s SER 76 Ca -0.14 2.40 0.10 0.00 0.48 0.00 0.00 55.95 58.79 3irs s SER 76 Cb -0.17 -2.62 0.98 0.00 0.10 0.00 0.00 66.02 64.32 3irs s SER 76 CO 0.07 -0.82 2.09 0.78 0.98 0.00 0.00 173.24 176.34 3irs h ASN 77 N 2.41 0.33 -0.56 7.02 2.35 -1.94 -1.79 115.58 123.41 3irs h ASN 77 Ca -0.49 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3irs h ASN 77 Cb 1.24 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 3irs h ASN 77 CO 0.62 0.24 0.36 0.00 -1.65 0.00 0.00 177.43 176.99 3irs h ALA 78 N 1.82 0.71 -0.74 -0.83 0.00 -1.95 -1.41 119.26 116.86 3irs h ALA 78 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3irs h ALA 78 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3irs h ALA 78 CO -0.02 0.17 0.37 -0.44 0.00 0.00 0.00 179.25 179.32 3irs h ASP 79 N 0.76 0.94 -0.60 0.00 5.19 -1.73 -0.15 116.42 120.82 3irs h ASP 79 Ca 0.20 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 3irs h ASP 79 Cb -0.06 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.18 3irs h ASP 79 CO -0.04 0.79 0.18 0.58 -3.12 0.00 0.00 179.24 177.63 3irs h VAL 80 N 1.04 1.25 -0.47 -1.35 2.07 -1.10 -0.93 116.25 116.75 3irs h VAL 80 Ca 0.26 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 3irs h VAL 80 Cb 0.09 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3irs h VAL 80 CO -0.04 0.32 -0.09 0.00 0.02 0.00 0.00 177.57 177.79 3irs h ALA 81 N 1.06 0.95 -0.52 1.67 0.00 -1.01 -2.71 119.26 118.69 3irs h ALA 81 Ca 0.19 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3irs h ALA 81 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3irs h ALA 81 CO -0.00 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3irs h ALA 82 N 1.12 0.91 -0.39 0.00 0.00 -0.86 -1.06 119.26 118.98 3irs h ALA 82 Ca 0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3irs h ALA 82 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3irs h ALA 82 CO 0.04 0.64 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 3irs h VAL 83 N 0.85 1.26 -0.51 0.00 2.07 -1.10 -2.24 116.25 116.58 3irs h VAL 83 Ca 0.15 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3irs h VAL 83 Cb 0.58 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3irs h VAL 83 CO 0.04 0.35 -0.11 0.00 0.02 0.00 0.00 177.57 177.86 3irs h ALA 84 N 0.87 0.83 0.00 1.67 0.00 -1.41 -2.75 119.26 118.47 3irs h ALA 84 Ca 0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3irs h ALA 84 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3irs h ALA 84 CO 0.02 0.66 -0.49 1.57 0.00 0.00 0.00 179.25 181.01 3irs h LYS 85 N 0.86 0.00 -0.37 0.00 2.10 -1.17 -2.24 116.57 115.76 3irs h LYS 85 Ca 0.14 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.70 3irs h LYS 85 Cb 0.66 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.97 3irs h LYS 85 CO 0.05 0.49 -0.12 0.00 -2.00 0.00 0.00 179.45 177.86 3irs h ALA 86 N 1.51 1.11 -2.15 0.07 0.00 -1.26 -3.34 119.26 115.20 3irs h ALA 86 Ca -0.00 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 54.03 3irs h ALA 86 Cb 1.01 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 3irs h ALA 86 CO 0.06 0.56 -0.90 0.66 0.00 0.00 0.00 179.25 179.63 3irs n TYR 87 N -4.18 1.10 0.31 0.00 4.01 -1.05 -4.98 117.16 112.37 3irs n TYR 87 Ca 0.01 -3.78 0.16 0.00 -0.16 0.00 0.00 57.90 54.14 3irs n TYR 87 Cb 0.35 -0.38 0.66 0.00 -0.31 0.00 0.00 39.34 39.65 3irs n TYR 87 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3irs h PRO 88 N 4.26 0.00 0.00 -0.72 0.13 -1.53 -0.65 132.00 133.48 3irs h PRO 88 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3irs h PRO 88 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3irs h PRO 88 CO 0.59 0.00 -0.71 -0.25 -0.23 0.00 0.00 178.00 177.41 3irs n ASP 89 N -2.90 0.64 -0.04 1.44 8.00 -1.26 -4.40 116.55 118.03 3irs n ASP 89 Ca 0.01 -0.41 -0.02 0.00 0.71 0.00 0.00 54.79 55.08 3irs n ASP 89 Cb 0.28 0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.81 3irs n ASP 89 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3irs n LYS 90 N -1.59 1.69 -4.88 -1.24 4.76 -0.50 -4.77 118.16 111.62 3irs n LYS 90 Ca 0.05 -0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.19 3irs n LYS 90 Cb 0.35 -1.27 -0.16 0.00 -1.84 0.00 0.00 35.03 32.11 3irs n LYS 90 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3irs s PHE 91 N -2.42 1.68 -0.16 2.13 0.08 -0.37 -0.54 117.98 118.39 3irs s PHE 91 Ca -0.05 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 3irs s PHE 91 Cb 0.04 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 3irs s PHE 91 CO 0.45 -0.07 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.39 3irs s HIS 92 N -0.29 2.88 0.13 0.36 3.76 -0.01 -4.76 115.29 117.36 3irs s HIS 92 Ca 0.04 -0.70 -0.25 0.00 -0.15 0.00 0.00 55.06 54.00 3irs s HIS 92 Cb -0.08 -1.93 -0.07 0.00 1.11 0.00 0.00 32.58 31.60 3irs s HIS 92 CO 0.00 -0.29 0.77 -1.25 -0.85 0.00 0.00 174.74 173.12 3irs s PRO 93 N 0.67 4.55 -0.11 8.40 0.04 -1.26 0.28 135.00 147.56 3irs s PRO 93 Ca -0.05 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.12 3irs s PRO 93 Cb -0.15 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3irs s PRO 93 CO 0.02 0.50 -0.09 0.08 0.04 0.00 0.00 177.00 177.55 3irs s VAL 94 N -0.87 1.13 0.64 -0.36 1.01 -0.93 -4.58 120.40 116.44 3irs s VAL 94 Ca 0.36 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3irs s VAL 94 Cb -0.22 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3irs s VAL 94 CO 0.25 0.38 1.04 -0.83 0.00 0.00 0.00 175.10 175.95 3irs s GLY 95 N 1.55 1.65 0.14 4.51 0.00 -0.83 -0.64 107.32 113.71 3irs s GLY 95 Ca 0.03 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.64 3irs s GLY 95 CO -0.07 0.15 -0.07 -1.35 0.00 0.00 0.00 173.10 171.76 3irs s SER 96 N -4.21 1.48 -0.01 1.64 1.04 -1.26 0.67 113.70 113.04 3irs s SER 96 Ca 0.56 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.99 3irs s SER 96 Cb -0.11 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 3irs s SER 96 CO 0.54 -0.43 -0.18 -0.63 0.98 0.00 0.00 173.24 173.52 3irs s ILE 97 N -3.49 1.41 -0.16 -1.02 1.01 -1.20 -4.84 121.20 112.91 3irs s ILE 97 Ca 0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3irs s ILE 97 Cb 0.04 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.38 3irs s ILE 97 CO -0.00 0.39 -0.03 -0.70 0.00 0.00 0.00 174.94 174.60 3irs s GLU 98 N -0.44 1.22 0.03 2.79 2.12 -1.26 -4.66 118.70 118.50 3irs s GLU 98 Ca 0.07 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.98 3irs s GLU 98 Cb -0.07 -1.94 -0.02 0.00 0.26 0.00 0.00 34.13 32.36 3irs s GLU 98 CO -0.01 -0.46 -0.11 0.00 -0.54 0.00 0.00 175.26 174.14 3irs s ALA 99 N 1.70 0.91 -0.12 6.30 0.00 -1.26 -4.89 121.76 124.39 3irs s ALA 99 Ca 0.01 -0.72 0.17 0.00 0.00 0.00 0.00 51.96 51.42 3irs s ALA 99 Cb -0.15 -0.12 -0.22 0.00 0.00 0.00 0.00 23.12 22.63 3irs s ALA 99 CO -0.07 0.14 0.50 0.00 0.00 0.00 0.00 175.76 176.33 3irs n ALA 100 N 1.96 1.83 -2.32 0.00 0.00 -1.26 -4.83 120.51 115.88 3irs n ALA 100 Ca -0.18 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.24 3irs n ALA 100 Cb 0.55 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 3irs n ALA 100 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3irs s THR 101 N -2.80 1.27 0.37 0.00 -4.23 -1.26 -5.05 115.64 103.94 3irs s THR 101 Ca -0.06 -2.08 0.12 0.00 -1.18 0.00 0.00 61.69 58.49 3irs s THR 101 Cb 0.08 -2.17 0.09 0.00 1.34 0.00 0.00 72.50 71.84 3irs s THR 101 CO 0.83 -0.48 1.83 0.08 -0.54 0.00 0.00 174.62 176.34 3irs h ARG 102 N 2.54 0.03 -0.22 3.99 -0.00 -1.96 -2.17 114.38 116.58 3irs h ARG 102 Ca -0.38 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.98 59.48 3irs h ARG 102 Cb 1.21 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.17 3irs h ARG 102 CO 0.64 0.38 -0.33 0.87 -0.00 0.00 0.00 179.97 181.54 3irs h LYS 103 N 0.02 0.46 -0.32 0.08 1.57 -1.97 -1.78 116.57 114.64 3irs h LYS 103 Ca 0.00 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 3irs h LYS 103 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3irs h LYS 103 CO 0.05 0.74 -0.38 0.93 -0.57 0.00 0.00 179.45 180.21 3irs h GLU 104 N 0.40 0.77 -0.44 3.15 5.08 -1.91 -2.05 114.58 119.58 3irs h GLU 104 Ca 0.05 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3irs h GLU 104 Cb 0.77 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3irs h GLU 104 CO 0.06 1.02 0.25 0.00 -1.00 0.00 0.00 179.01 179.34 3irs h ALA 105 N 0.93 0.55 -0.30 3.43 0.00 -1.20 -2.29 119.26 120.39 3irs h ALA 105 Ca 0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3irs h ALA 105 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3irs h ALA 105 CO 0.09 -0.07 -0.33 0.52 0.00 0.00 0.00 179.25 179.45 3irs h MET 106 N 0.51 0.65 -0.46 0.00 2.86 -1.26 -1.00 114.93 116.23 3irs h MET 106 Ca 0.18 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3irs h MET 106 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3irs h MET 106 CO -0.09 0.89 0.08 0.00 1.06 0.00 0.00 176.91 178.85 3irs h ALA 107 N 1.09 0.61 -0.24 6.32 0.00 -1.30 -1.22 119.26 124.52 3irs h ALA 107 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3irs h ALA 107 Cb 0.83 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3irs h ALA 107 CO 0.07 0.34 -0.46 1.96 0.00 0.00 0.00 179.25 181.16 3irs h GLN 108 N 0.63 0.61 -0.85 0.00 4.20 -1.33 -1.97 115.11 116.39 3irs h GLN 108 Ca 0.14 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3irs h GLN 108 Cb 0.38 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 3irs h GLN 108 CO 0.01 0.94 0.43 1.98 -0.67 0.00 0.00 178.83 181.52 3irs h MET 109 N 0.49 1.22 -0.45 1.46 4.05 -1.00 -0.80 114.93 119.89 3irs h MET 109 Ca 0.03 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.15 3irs h MET 109 Cb 0.99 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 3irs h MET 109 CO 0.09 0.92 -0.23 0.37 0.23 0.00 0.00 176.91 178.29 3irs h GLN 110 N 1.21 0.93 -0.71 0.39 5.75 -1.12 -0.42 115.11 121.14 3irs h GLN 110 Ca 0.30 -0.40 0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3irs h GLN 110 Cb 0.09 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 3irs h GLN 110 CO -0.04 1.06 0.42 1.49 -2.65 0.00 0.00 178.83 179.11 3irs h GLU 111 N 0.80 0.78 -0.22 1.69 4.81 -0.97 0.02 114.58 121.48 3irs h GLU 111 Ca 0.10 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3irs h GLU 111 Cb 0.79 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3irs h GLU 111 CO 0.07 0.51 0.12 0.82 -0.73 0.00 0.00 179.01 179.80 3irs h ILE 112 N 0.80 1.12 -0.05 2.32 2.04 -0.66 -2.59 117.51 120.48 3irs h ILE 112 Ca 0.30 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3irs h ILE 112 Cb 0.12 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3irs h ILE 112 CO -0.15 0.12 -0.31 -0.07 0.00 0.00 0.00 178.15 177.74 3irs h LEU 113 N 0.25 0.10 -1.45 1.44 3.38 -0.70 -2.26 115.31 116.06 3irs h LEU 113 Ca 0.08 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3irs h LEU 113 Cb 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3irs h LEU 113 CO -0.01 0.41 -0.27 0.44 0.09 0.00 0.00 178.44 179.09 3irs h ASP 114 N 0.09 0.00 -0.01 -0.43 3.32 -0.80 -2.36 116.42 116.24 3irs h ASP 114 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3irs h ASP 114 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3irs h ASP 114 CO 0.04 0.27 0.00 0.18 -1.72 0.00 0.00 179.24 178.02 3irs n LEU 115 N -3.93 0.20 0.00 1.55 4.77 -0.88 -4.90 117.00 113.81 3irs n LEU 115 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3irs n LEU 115 Cb 0.35 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3irs n LEU 115 CO 0.36 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3irs n GLY 116 N 0.99 0.90 3.75 -0.72 0.00 -0.89 -4.97 105.19 104.25 3irs n GLY 116 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3irs n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irs s ILE 117 N -3.57 3.75 -0.03 -0.61 1.01 -1.03 -4.98 121.20 115.75 3irs s ILE 117 Ca 0.00 1.64 0.04 0.00 0.00 0.00 0.00 60.65 62.33 3irs s ILE 117 Cb 0.00 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.49 3irs s ILE 117 CO 0.00 0.34 0.99 0.54 0.00 0.00 0.00 174.94 176.81 3irs n ARG 118 N 1.75 2.29 -4.07 2.79 5.12 -1.26 -4.07 116.66 119.21 3irs n ARG 118 Ca 0.00 -1.63 -0.14 0.00 -1.93 0.00 0.00 57.85 54.15 3irs n ARG 118 Cb 0.46 -1.05 -0.14 0.00 -1.16 0.00 0.00 32.46 30.57 3irs n ARG 118 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3irs s ILE 119 N -1.28 0.33 0.07 0.55 1.01 -1.26 -4.09 121.20 116.52 3irs s ILE 119 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.42 3irs s ILE 119 Cb 0.06 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 3irs s ILE 119 CO 0.01 -0.04 -0.22 0.54 0.00 0.00 0.00 174.94 175.23 3irs s VAL 120 N -0.41 1.76 -0.17 2.92 0.11 -1.12 -1.96 120.40 121.52 3irs s VAL 120 Ca -0.02 -1.37 -0.02 0.00 -2.93 0.00 0.00 61.98 57.64 3irs s VAL 120 Cb -0.04 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 3irs s VAL 120 CO -0.00 0.12 -0.09 0.21 -3.33 0.00 0.00 175.10 172.01 3irs s ASN 121 N -1.49 4.16 -0.16 3.54 2.47 0.21 -0.63 114.94 123.04 3irs s ASN 121 Ca 0.08 -0.35 0.01 0.00 0.42 0.00 0.00 52.86 53.01 3irs s ASN 121 Cb -0.09 -1.67 0.01 0.00 -1.45 0.00 0.00 41.25 38.04 3irs s ASN 121 CO 0.03 0.08 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.54 3irs s LEU 122 N 0.89 2.29 -0.51 3.21 1.43 0.10 -3.23 118.68 122.86 3irs s LEU 122 Ca -0.02 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 3irs s LEU 122 Cb -0.15 -1.51 0.29 0.00 0.03 0.00 0.00 46.19 44.86 3irs s LEU 122 CO 0.00 0.06 0.75 -0.62 0.23 0.00 0.00 176.35 176.77 3irs n GLU 123 N 4.21 1.98 0.09 1.70 1.02 -1.26 -1.95 120.64 126.44 3irs n GLU 123 Ca -0.20 -4.13 0.10 0.00 -0.02 0.00 0.00 57.16 52.92 3irs n GLU 123 Cb 0.51 -1.90 0.44 0.00 -0.02 0.00 0.00 31.44 30.47 3irs n GLU 123 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3irs n PRO 124 N 0.57 0.14 0.11 3.49 -0.04 -1.26 -2.09 135.00 135.92 3irs n PRO 124 Ca 0.27 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 3irs n PRO 124 Cb 0.48 -1.77 0.46 0.00 -0.04 0.00 0.00 33.50 32.63 3irs n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3irs n GLY 125 N -0.05 -1.46 0.39 0.55 0.00 -1.09 -0.81 105.19 102.73 3irs n GLY 125 Ca 0.02 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3irs n GLY 125 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3irs n VAL 126 N -2.22 2.07 -2.04 1.61 0.24 -0.89 -4.06 118.33 113.04 3irs n VAL 126 Ca 0.04 -2.50 -0.29 0.00 -2.04 0.00 0.00 64.34 59.55 3irs n VAL 126 Cb 0.31 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.49 3irs n VAL 126 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3irs s TRP 127 N -2.99 3.16 0.26 6.34 0.51 -1.13 -3.09 118.94 122.01 3irs s TRP 127 Ca 0.36 0.81 -0.03 0.00 -2.12 0.00 0.00 56.10 55.11 3irs s TRP 127 Cb 0.32 -3.12 0.37 0.00 -0.81 0.00 0.00 33.47 30.23 3irs s TRP 127 CO 0.01 -1.28 1.89 0.00 -0.51 0.00 0.00 176.95 177.06 3irs h ALA 128 N -0.64 1.35 -2.88 0.98 0.00 -1.92 -3.02 119.26 113.13 3irs h ALA 128 Ca -0.45 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 53.69 3irs h ALA 128 Cb 1.28 -0.32 -0.30 0.00 0.00 0.00 0.00 17.79 18.45 3irs h ALA 128 CO 0.63 0.47 -0.19 0.99 0.00 0.00 0.00 179.25 181.15 3irs s THR 129 N -6.06 4.59 0.24 0.00 2.01 -1.26 -5.08 115.64 110.08 3irs s THR 129 Ca -0.13 -2.47 -0.30 0.00 0.31 0.00 0.00 61.69 59.11 3irs s THR 129 Cb 0.20 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 3irs s THR 129 CO 0.81 -0.91 1.39 -2.84 -0.69 0.00 0.00 174.62 172.38 3irs s PRO 130 N 0.39 4.31 0.07 4.92 0.02 -1.14 -4.94 135.00 138.63 3irs s PRO 130 Ca 0.14 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3irs s PRO 130 Cb -0.18 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3irs s PRO 130 CO -0.05 -0.35 -0.05 0.00 -0.33 0.00 0.00 177.00 176.22 3irs s MET 131 N -0.45 0.71 0.66 5.54 0.23 0.01 -4.97 119.30 121.03 3irs s MET 131 Ca 0.58 -1.27 -0.13 0.00 -1.03 0.00 0.00 55.69 53.84 3irs s MET 131 Cb -0.40 0.02 -0.01 0.00 -1.53 0.00 0.00 34.83 32.91 3irs s MET 131 CO 0.43 -0.07 1.06 -1.01 -2.03 0.00 0.00 175.02 173.40 3irs s HIS 132 N -3.78 3.05 0.34 3.16 3.76 -1.26 -2.66 115.29 117.90 3irs s HIS 132 Ca 0.09 1.46 0.31 0.00 -0.15 0.00 0.00 55.06 56.77 3irs s HIS 132 Cb 0.07 -2.93 1.49 0.00 1.11 0.00 0.00 32.58 32.31 3irs s HIS 132 CO -0.08 -1.20 2.06 -0.39 -0.85 0.00 0.00 174.74 174.28 3irs h VAL 133 N -0.29 0.37 -0.60 -0.90 -1.51 -1.90 -1.98 116.25 109.44 3irs h VAL 133 Ca -0.45 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 3irs h VAL 133 Cb 1.21 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3irs h VAL 133 CO 0.57 0.09 0.00 -0.90 -1.23 0.00 0.00 177.57 176.10 3irs n ASP 134 N -3.41 4.94 -4.69 4.19 5.75 -1.26 -4.91 116.55 117.16 3irs n ASP 134 Ca -0.01 -2.60 -0.44 0.00 -0.01 0.00 0.00 54.79 51.73 3irs n ASP 134 Cb 0.26 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 3irs n ASP 134 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3irs n ASP 135 N 0.91 3.30 -0.36 -1.12 -0.08 -0.75 -4.87 116.55 113.57 3irs n ASP 135 Ca 0.25 1.11 0.33 0.00 -1.51 0.00 0.00 54.79 54.97 3irs n ASP 135 Cb 0.97 -1.48 0.60 0.00 2.34 0.00 0.00 41.12 43.54 3irs n ASP 135 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 3irs h ARG 136 N 5.37 0.06 0.00 -0.67 0.11 -1.93 -0.94 114.38 116.38 3irs h ARG 136 Ca -0.45 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3irs h ARG 136 Cb 1.25 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3irs h ARG 136 CO 0.85 0.04 0.00 0.00 0.10 0.00 0.00 179.97 180.95 3irs h ARG 137 N 0.06 0.00 0.00 0.08 3.08 -1.97 -2.00 114.38 113.63 3irs h ARG 137 Ca 0.84 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.89 3irs h ARG 137 Cb 2.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.36 3irs h ARG 137 CO -0.65 0.00 -1.09 1.28 -1.07 0.00 0.00 179.97 178.44 3irs n LEU 138 N -2.37 0.62 -0.33 3.04 4.77 -0.36 -4.16 117.00 118.21 3irs n LEU 138 Ca 0.02 0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 3irs n LEU 138 Cb 0.22 -0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.34 3irs n LEU 138 CO 0.20 -0.04 1.23 1.88 -1.33 0.00 0.00 177.39 179.33 3irs h TYR 139 N 0.00 1.09 -0.76 -1.77 -1.99 -1.40 -1.81 116.97 110.33 3irs h TYR 139 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3irs h TYR 139 Cb 0.84 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 3irs h TYR 139 CO 0.00 0.63 0.49 -1.35 -0.00 0.00 0.00 178.16 177.93 3irs h PRO 140 N 1.13 1.01 -0.53 4.88 0.11 -1.79 -0.21 132.00 136.60 3irs h PRO 140 Ca 0.35 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3irs h PRO 140 Cb -0.01 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.85 3irs h PRO 140 CO -0.11 0.68 0.26 1.25 -0.21 0.00 0.00 178.00 179.87 3irs h LEU 141 N 1.04 0.69 -1.02 2.35 5.85 -1.63 -1.40 115.31 121.19 3irs h LEU 141 Ca 0.28 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3irs h LEU 141 Cb -0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3irs h LEU 141 CO -0.06 0.62 0.15 1.88 -0.34 0.00 0.00 178.44 180.70 3irs h TYR 142 N 0.71 0.88 -0.37 1.25 0.05 -0.89 0.93 116.97 119.52 3irs h TYR 142 Ca 0.18 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3irs h TYR 142 Cb 0.11 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 3irs h TYR 142 CO -0.01 0.73 0.21 0.00 -1.05 0.00 0.00 178.16 178.04 3irs h ALA 143 N 1.34 0.48 -0.25 3.88 0.00 -0.73 0.76 119.26 124.74 3irs h ALA 143 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3irs h ALA 143 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3irs h ALA 143 CO -0.00 0.00 0.13 0.35 0.00 0.00 0.00 179.25 179.72 3irs h PHE 144 N 0.48 0.35 -0.58 0.00 3.57 -0.64 -1.44 116.94 118.67 3irs h PHE 144 Ca 0.13 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3irs h PHE 144 Cb 0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3irs h PHE 144 CO -0.03 0.31 0.26 0.00 -2.23 0.00 0.00 178.31 176.63 3irs h GLU 146 N 0.78 0.73 0.00 0.00 4.81 -0.75 -0.58 114.58 119.56 3irs h GLU 146 Ca 0.20 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3irs h GLU 146 Cb 0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3irs h GLU 146 CO -0.02 0.55 -0.35 -0.44 -0.73 0.00 0.00 179.01 178.02 3irs h ASP 147 N 0.70 0.00 -0.41 1.04 3.32 -1.04 -3.22 116.42 116.81 3irs h ASP 147 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3irs h ASP 147 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3irs h ASP 147 CO -0.03 0.35 0.00 0.59 -1.72 0.00 0.00 179.24 178.43 3irs n ASN 148 N -3.81 3.58 -2.58 6.45 3.02 -0.68 -4.99 115.26 116.24 3irs n ASN 148 Ca -0.01 -2.33 -0.21 0.00 -0.03 0.00 0.00 54.58 52.00 3irs n ASN 148 Cb 0.43 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 3irs n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3irs n GLY 149 N 0.47 -0.48 3.59 7.41 0.00 -0.64 -1.88 105.19 113.66 3irs n GLY 149 Ca 0.18 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3irs n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irs s ILE 150 N -3.08 5.04 0.57 -0.61 1.01 -0.32 -1.69 121.20 122.11 3irs s ILE 150 Ca 0.12 0.63 -0.18 0.00 0.00 0.00 0.00 60.65 61.23 3irs s ILE 150 Cb -0.05 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3irs s ILE 150 CO 0.15 -0.06 1.09 -2.84 0.00 0.00 0.00 174.94 173.28 3irs s PRO 151 N 2.37 3.29 -0.15 2.79 0.02 -1.26 -4.54 135.00 137.53 3irs s PRO 151 Ca 0.20 1.42 0.01 0.00 0.02 0.00 0.00 61.00 62.65 3irs s PRO 151 Cb -0.15 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3irs s PRO 151 CO 0.11 -0.86 -0.18 0.08 -0.33 0.00 0.00 177.00 175.82 3irs s VAL 152 N -2.10 1.81 -0.02 3.83 1.01 0.40 -2.80 120.40 122.52 3irs s VAL 152 Ca 0.68 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 3irs s VAL 152 Cb -0.20 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3irs s VAL 152 CO 0.31 0.50 0.72 -0.63 0.00 0.00 0.00 175.10 176.00 3irs s ILE 153 N 1.16 4.93 -0.03 2.22 1.01 0.20 -0.78 121.20 129.92 3irs s ILE 153 Ca -0.00 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.16 3irs s ILE 153 Cb -0.14 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.28 3irs s ILE 153 CO -0.07 0.30 -0.07 0.00 0.00 0.00 0.00 174.94 175.10 3irs s MET 154 N 0.44 0.77 -0.65 2.79 0.23 -0.13 0.01 119.30 122.76 3irs s MET 154 Ca 0.38 -0.21 -0.26 0.00 -1.03 0.00 0.00 55.69 54.57 3irs s MET 154 Cb -0.19 -0.75 0.04 0.00 -1.53 0.00 0.00 34.83 32.40 3irs s MET 154 CO 0.20 0.05 1.16 1.41 -2.03 0.00 0.00 175.02 175.81 3irs s MET 155 N 0.35 3.30 -0.05 3.16 1.75 -0.82 -1.44 119.30 125.54 3irs s MET 155 Ca -0.05 -0.18 0.08 0.00 -1.25 0.00 0.00 55.69 54.29 3irs s MET 155 Cb -0.09 -4.12 0.11 0.00 2.84 0.00 0.00 34.83 33.58 3irs s MET 155 CO 0.00 -1.87 1.03 0.25 -0.65 0.00 0.00 175.02 173.78 3irs n THR 156 N 6.38 1.24 -4.41 10.11 -2.24 -1.19 -4.82 114.28 119.35 3irs n THR 156 Ca 0.03 -1.39 -0.20 0.00 -2.27 0.00 0.00 64.05 60.22 3irs n THR 156 Cb 0.48 0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 3irs n THR 156 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3irs s GLY 157 N -1.68 2.02 0.00 3.38 0.00 -1.19 -4.11 107.32 105.74 3irs s GLY 157 Ca 0.13 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3irs s GLY 157 CO 0.01 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 171.99 3irs n GLY 158 N -0.63 0.86 2.73 0.20 0.00 0.10 -3.70 105.19 104.75 3irs n GLY 158 Ca -0.02 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3irs n GLY 158 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3irs n ASN 159 N -0.16 5.29 0.22 1.61 3.02 -1.26 -4.72 115.26 119.25 3irs n ASN 159 Ca 0.00 -2.98 0.10 0.00 -0.03 0.00 0.00 54.58 51.68 3irs n ASN 159 Cb 0.00 -1.53 0.36 0.00 -0.61 0.00 0.00 39.78 38.00 3irs n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3irs h ALA 160 N 5.64 0.95 -2.63 5.41 0.00 -1.88 -3.47 119.26 123.29 3irs h ALA 160 Ca 0.53 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3irs h ALA 160 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3irs h ALA 160 CO 1.72 0.23 0.01 0.41 0.00 0.00 0.00 179.25 181.62 3irs n GLY 161 N 0.53 2.37 0.38 0.00 0.00 -1.26 -3.58 105.19 103.63 3irs n GLY 161 Ca 0.01 -1.27 0.18 0.00 0.00 0.00 0.00 46.02 44.94 3irs n GLY 161 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3irs h PRO 162 N 0.00 0.55 -4.29 1.61 0.11 -1.91 -3.45 132.00 124.61 3irs h PRO 162 Ca -0.08 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.69 3irs h PRO 162 Cb 0.30 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.20 3irs h PRO 162 CO 0.10 0.36 -0.26 0.16 -0.21 0.00 0.00 178.00 178.15 3irs s ASP 163 N -5.41 1.06 0.39 -2.05 1.47 -1.26 -5.05 116.67 105.83 3irs s ASP 163 Ca -0.10 -1.54 0.28 0.00 1.18 0.00 0.00 52.55 52.37 3irs s ASP 163 Cb 0.25 0.64 1.38 0.00 -0.34 0.00 0.00 42.92 44.84 3irs s ASP 163 CO 0.80 -1.24 1.84 -0.29 0.68 0.00 0.00 175.17 176.96 3irs h ILE 164 N 2.12 0.00 0.00 2.11 2.10 -1.95 -2.17 117.51 119.72 3irs h ILE 164 Ca -0.28 -0.12 -0.02 0.00 1.08 0.00 0.00 64.86 65.53 3irs h ILE 164 Cb 1.24 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3irs h ILE 164 CO 0.38 0.00 -0.07 0.71 -1.08 0.00 0.00 178.15 178.09 3irs h THR 165 N 0.00 0.44 0.00 2.19 1.35 -1.96 -1.02 112.91 113.91 3irs h THR 165 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3irs h THR 165 Cb 0.16 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3irs h THR 165 CO 0.00 0.07 0.00 -1.22 -0.25 0.00 0.00 175.52 174.12 3irs n TYR 166 N -3.57 0.00 0.40 4.73 4.01 -0.81 -2.03 117.16 119.89 3irs n TYR 166 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 3irs n TYR 166 Cb 0.19 -0.40 0.06 0.00 -0.31 0.00 0.00 39.34 38.88 3irs n TYR 166 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3irs n THR 167 N -1.40 0.12 -1.69 -0.72 -2.24 -0.40 -4.73 114.28 103.21 3irs n THR 167 Ca 0.08 -0.56 -0.44 0.00 -2.27 0.00 0.00 64.05 60.86 3irs n THR 167 Cb 0.24 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 3irs n THR 167 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3irs n ASN 168 N 0.63 3.19 0.00 3.42 2.85 -0.86 -4.81 115.26 119.68 3irs n ASN 168 Ca 0.07 1.13 0.04 0.00 -0.11 0.00 0.00 54.58 55.71 3irs n ASN 168 Cb 0.30 -1.48 0.18 0.00 1.24 0.00 0.00 39.78 40.02 3irs n ASN 168 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3irs n PRO 169 N 2.43 0.02 0.24 1.20 -0.04 -1.26 -2.56 135.00 135.03 3irs n PRO 169 Ca 0.12 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 3irs n PRO 169 Cb 0.33 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.87 3irs n PRO 169 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3irs h GLU 170 N 0.00 0.00 0.09 0.54 4.11 -1.96 -2.32 114.58 115.05 3irs h GLU 170 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3irs h GLU 170 Cb 0.14 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3irs h GLU 170 CO 0.00 0.07 -0.04 0.45 0.07 0.00 0.00 179.01 179.56 3irs h HIS 171 N 0.00 -0.11 -0.54 2.06 3.86 -1.86 -2.03 115.15 116.52 3irs h HIS 171 Ca -0.00 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3irs h HIS 171 Cb 0.12 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3irs h HIS 171 CO 0.00 0.42 0.09 0.97 0.86 0.00 0.00 177.93 180.27 3irs h ILE 172 N -0.77 1.24 -0.90 2.45 2.10 -1.75 -3.02 117.51 116.86 3irs h ILE 172 Ca -0.01 -0.90 -0.02 0.00 1.08 0.00 0.00 64.86 65.01 3irs h ILE 172 Cb 0.58 0.72 -0.04 0.00 -1.09 0.00 0.00 36.82 36.99 3irs h ILE 172 CO 0.02 0.33 0.49 -0.78 -1.08 0.00 0.00 178.15 177.13 3irs h ASP 173 N 0.82 1.12 -0.07 2.19 3.58 -1.37 -1.27 116.42 121.42 3irs h ASP 173 Ca 0.17 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 3irs h ASP 173 Cb 0.36 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3irs h ASP 173 CO 0.01 0.91 0.05 0.03 -2.88 0.00 0.00 179.24 177.35 3irs h ARG 174 N 1.26 0.10 -0.23 0.28 3.08 -1.24 0.08 114.38 117.70 3irs h ARG 174 Ca 0.31 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.41 3irs h ARG 174 Cb 0.04 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 3irs h ARG 174 CO -0.05 0.10 -0.16 0.28 -1.07 0.00 0.00 179.97 179.07 3irs h VAL 175 N 0.07 0.55 -0.79 2.04 2.07 -1.38 0.20 116.25 119.01 3irs h VAL 175 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3irs h VAL 175 Cb 0.02 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3irs h VAL 175 CO -0.01 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.91 3irs h LEU 176 N -0.15 1.02 -0.69 2.57 3.38 -1.02 0.67 115.31 121.09 3irs h LEU 176 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3irs h LEU 176 Cb 0.35 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3irs h LEU 176 CO -0.32 0.85 0.30 1.23 0.09 0.00 0.00 178.44 180.59 3irs h GLY 177 N 1.11 1.09 2.00 0.83 0.00 -0.57 -3.04 103.07 104.48 3irs h GLY 177 Ca 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3irs h GLY 177 CO -0.04 0.54 -0.00 -0.55 0.00 0.00 0.00 176.54 176.49 3irs h ASP 178 N 0.97 0.00 -2.13 0.19 3.32 -0.01 -3.37 116.42 115.39 3irs h ASP 178 Ca 0.23 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.71 3irs h ASP 178 Cb 0.17 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.32 3irs h ASP 178 CO -0.02 0.00 -0.90 0.49 -1.72 0.00 0.00 179.24 177.08 3irs n PHE 179 N -2.98 1.13 0.31 4.55 3.72 0.18 -4.99 117.46 119.38 3irs n PHE 179 Ca 0.04 -3.78 0.14 0.00 -0.05 0.00 0.00 57.45 53.80 3irs n PHE 179 Cb 0.52 -0.40 0.62 0.00 -0.94 0.00 0.00 39.48 39.28 3irs n PHE 179 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3irs h PRO 180 N 4.21 0.00 -0.50 -1.08 0.13 -1.70 -1.77 132.00 131.29 3irs h PRO 180 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3irs h PRO 180 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3irs h PRO 180 CO 0.60 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 3irs n ASP 181 N -2.48 3.34 -4.66 1.44 8.00 -1.26 -4.69 116.55 116.23 3irs n ASP 181 Ca 0.00 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.10 3irs n ASP 181 Cb 0.18 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 3irs n ASP 181 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3irs s LEU 182 N -1.01 4.16 -0.24 0.64 2.96 -0.67 -4.92 118.68 119.60 3irs s LEU 182 Ca 0.34 1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.02 3irs s LEU 182 Cb 0.18 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 3irs s LEU 182 CO 0.23 -0.37 1.31 -0.89 -1.32 0.00 0.00 176.35 175.31 3irs s THR 183 N 2.15 4.15 -0.06 3.68 2.01 -1.26 -4.74 115.64 121.58 3irs s THR 183 Ca 0.35 1.34 0.06 0.00 0.31 0.00 0.00 61.69 63.75 3irs s THR 183 Cb -0.16 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 3irs s THR 183 CO 0.11 -0.34 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.78 3irs s VAL 184 N 4.12 2.18 -0.18 3.82 1.01 -0.65 -0.46 120.40 130.24 3irs s VAL 184 Ca 0.57 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3irs s VAL 184 Cb -0.19 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3irs s VAL 184 CO 0.21 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 175.10 3irs s VAL 185 N -0.21 3.17 -0.50 2.92 1.01 0.04 0.14 120.40 126.97 3irs s VAL 185 Ca -0.02 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 3irs s VAL 185 Cb -0.13 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3irs s VAL 185 CO 0.03 0.47 0.79 -0.55 0.00 0.00 0.00 175.10 175.84 3irs s SER 186 N 1.05 6.33 0.38 3.32 0.15 0.14 -0.96 113.70 124.10 3irs s SER 186 Ca 0.00 -0.41 -0.24 0.00 0.70 0.00 0.00 55.95 55.99 3irs s SER 186 Cb -0.15 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 3irs s SER 186 CO -0.01 -1.01 1.01 -0.94 1.20 0.00 0.00 173.24 173.48 3irs s SER 187 N 2.52 6.96 0.00 5.45 1.04 -0.52 -1.55 113.70 127.60 3irs s SER 187 Ca 0.26 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.62 3irs s SER 187 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3irs s SER 187 CO 0.18 -0.34 0.00 1.41 0.98 0.00 0.00 173.24 175.47 3irs n HIS 188 N 0.06 0.00 -1.65 5.02 8.25 -0.24 -3.19 115.22 123.47 3irs n HIS 188 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 3irs n HIS 188 Cb 0.50 -1.50 -0.07 0.00 1.12 0.00 0.00 29.99 30.04 3irs n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3irs n GLY 189 N -0.29 1.57 2.58 -1.41 0.00 -0.81 -1.52 105.19 105.31 3irs n GLY 189 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3irs n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3irs n ASN 190 N -1.27 -5.33 -4.66 1.61 5.15 -1.26 -4.82 115.26 104.69 3irs n ASN 190 Ca -0.20 0.44 -0.44 0.00 -0.60 0.00 0.00 54.58 53.78 3irs n ASN 190 Cb 0.63 -4.40 -0.02 0.00 -0.53 0.00 0.00 39.78 35.47 3irs n ASN 190 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 3irs n TRP 191 N -2.42 1.97 1.12 1.20 -0.00 -0.58 -1.53 117.44 117.20 3irs n TRP 191 Ca -0.18 0.55 0.12 0.00 -0.00 0.00 0.00 57.50 57.99 3irs n TRP 191 Cb 0.62 -2.39 0.36 0.00 -0.00 0.00 0.00 31.31 29.89 3irs n TRP 191 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3irs n PRO 192 N 1.22 1.90 -1.82 5.87 -0.04 -1.26 -0.72 135.00 140.15 3irs n PRO 192 Ca 0.09 -1.34 -0.40 0.00 -0.04 0.00 0.00 63.50 61.81 3irs n PRO 192 Cb 0.33 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 3irs n PRO 192 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3irs n TRP 193 N 0.57 2.72 0.10 0.54 7.02 -0.58 -4.70 117.44 123.12 3irs n TRP 193 Ca 0.17 -2.92 -0.23 0.00 -1.02 0.00 0.00 57.50 53.50 3irs n TRP 193 Cb 0.40 -2.14 -0.15 0.00 -2.42 0.00 0.00 31.31 27.00 3irs n TRP 193 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3irs h VAL 194 N 3.10 1.35 -1.00 -0.99 2.07 -1.92 -0.52 116.25 118.34 3irs h VAL 194 Ca 0.68 -2.62 0.07 0.00 0.82 0.00 0.00 66.70 65.66 3irs h VAL 194 Cb 0.40 3.09 -0.07 0.00 -1.52 0.00 0.00 31.29 33.18 3irs h VAL 194 CO 1.65 0.77 0.65 1.56 0.02 0.00 0.00 177.57 182.22 3irs h GLN 195 N -0.07 1.12 -0.27 1.57 4.20 -1.95 -2.44 115.11 117.27 3irs h GLN 195 Ca -0.22 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.30 3irs h GLN 195 Cb 1.95 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 29.48 3irs h GLN 195 CO 0.22 0.74 -0.33 0.93 -0.67 0.00 0.00 178.83 179.72 3irs h GLU 196 N 1.15 0.70 0.00 1.46 3.07 -1.91 -3.20 114.58 115.84 3irs h GLU 196 Ca 0.44 -0.39 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3irs h GLU 196 Cb 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3irs h GLU 196 CO -0.18 1.01 -0.30 0.97 -1.40 0.00 0.00 179.01 179.10 3irs h ILE 197 N 0.43 0.82 -0.57 3.13 6.09 -0.70 -2.00 117.51 124.71 3irs h ILE 197 Ca 0.04 -1.22 -0.06 0.00 -1.37 0.00 0.00 64.86 62.24 3irs h ILE 197 Cb 0.90 1.75 -0.02 0.00 0.47 0.00 0.00 36.82 39.92 3irs h ILE 197 CO 0.08 0.29 0.12 0.40 -3.07 0.00 0.00 178.15 175.97 3irs h ILE 198 N 0.00 1.25 -0.62 2.19 1.08 -1.46 0.24 117.51 120.18 3irs h ILE 198 Ca -0.00 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.59 3irs h ILE 198 Cb 0.73 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 3irs h ILE 198 CO 0.04 0.34 0.35 -0.74 -0.69 0.00 0.00 178.15 177.45 3irs h HIS 199 N 0.82 0.65 -0.43 1.37 -0.00 -1.45 0.12 115.15 116.22 3irs h HIS 199 Ca 0.18 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.54 3irs h HIS 199 Cb 0.38 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 3irs h HIS 199 CO 0.03 0.33 0.14 0.28 -0.00 0.00 0.00 177.93 178.71 3irs h VAL 200 N 0.67 1.22 -0.53 5.26 2.07 -0.86 0.74 116.25 124.81 3irs h VAL 200 Ca 0.27 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3irs h VAL 200 Cb 0.13 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3irs h VAL 200 CO -0.16 0.25 0.34 0.00 0.02 0.00 0.00 177.57 178.03 3irs h ALA 201 N 0.99 0.68 -0.58 1.67 0.00 -0.75 0.26 119.26 121.54 3irs h ALA 201 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3irs h ALA 201 Cb 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3irs h ALA 201 CO -0.01 0.09 0.24 0.35 0.00 0.00 0.00 179.25 179.93 3irs h PHE 202 N 0.70 0.43 0.08 0.00 3.57 -0.39 -3.16 116.94 118.18 3irs h PHE 202 Ca 0.20 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.44 3irs h PHE 202 Cb -0.06 -0.11 0.03 0.00 2.79 0.00 0.00 35.95 38.60 3irs h PHE 202 CO -0.04 0.16 -1.16 -0.09 -2.23 0.00 0.00 178.31 174.94 3irs h ARG 203 N 0.45 0.64 -4.12 1.11 2.43 -0.28 -3.43 114.38 111.18 3irs h ARG 203 Ca 0.28 -0.80 -0.71 0.00 -0.81 0.00 0.00 59.98 57.93 3irs h ARG 203 Cb 0.28 0.25 -0.33 0.00 -0.42 0.00 0.00 29.97 29.76 3irs h ARG 203 CO -0.25 1.36 -0.40 1.03 -1.51 0.00 0.00 179.97 180.20 3irs s ARG 204 N -3.07 2.43 0.36 0.20 1.81 0.88 -4.97 118.95 116.58 3irs s ARG 204 Ca -0.10 -2.05 0.26 0.00 -1.72 0.00 0.00 55.73 52.12 3irs s ARG 204 Cb 0.06 -3.80 1.26 0.00 -0.45 0.00 0.00 34.95 32.02 3irs s ARG 204 CO 0.93 -1.16 1.78 -1.00 -0.68 0.00 0.00 175.30 175.17 3irs h PRO 205 N 7.87 0.00 -0.00 3.54 0.13 -1.84 -2.10 132.00 139.60 3irs h PRO 205 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3irs h PRO 205 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3irs h PRO 205 CO 0.76 0.00 -0.13 0.27 -0.23 0.00 0.00 178.00 178.67 3irs n ASN 206 N -2.41 0.42 -4.68 1.44 6.94 -1.26 -4.90 115.26 110.81 3irs n ASN 206 Ca -0.00 -0.43 -0.38 0.00 -0.02 0.00 0.00 54.58 53.74 3irs n ASN 206 Cb 0.13 -0.09 -0.07 0.00 -2.36 0.00 0.00 39.78 37.38 3irs n ASN 206 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3irs s LEU 207 N -2.57 4.17 -0.04 -4.53 2.96 -0.79 -1.64 118.68 116.24 3irs s LEU 207 Ca 0.26 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3irs s LEU 207 Cb 0.20 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3irs s LEU 207 CO 0.50 -0.09 0.05 -0.31 -1.32 0.00 0.00 176.35 175.18 3irs s TYR 208 N 1.28 3.25 -0.13 5.38 2.02 0.12 -4.90 117.35 124.37 3irs s TYR 208 Ca 0.21 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 57.10 3irs s TYR 208 Cb -0.15 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3irs s TYR 208 CO 0.09 0.54 -0.02 -0.51 -1.57 0.00 0.00 175.55 174.07 3irs s LEU 209 N -1.38 3.38 -0.50 -1.29 1.43 0.14 -0.69 118.68 119.77 3irs s LEU 209 Ca 0.19 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3irs s LEU 209 Cb -0.12 -1.80 0.16 0.00 0.03 0.00 0.00 46.19 44.46 3irs s LEU 209 CO 0.09 0.24 0.37 -0.55 0.23 0.00 0.00 176.35 176.72 3irs s SER 210 N -0.03 2.89 0.64 2.29 0.15 -0.60 -1.19 113.70 117.85 3irs s SER 210 Ca 0.02 -3.21 0.42 0.00 0.70 0.00 0.00 55.95 53.88 3irs s SER 210 Cb -0.13 -0.90 2.15 0.00 -1.71 0.00 0.00 66.02 65.43 3irs s SER 210 CO 0.02 -0.16 2.27 1.55 1.20 0.00 0.00 173.24 178.12 3irs h PRO 211 N 5.79 0.00 0.00 5.44 0.13 -1.80 -0.46 132.00 141.10 3irs h PRO 211 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3irs h PRO 211 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3irs h PRO 211 CO 0.49 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 3irs n ASP 212 N -3.10 0.00 0.14 1.44 5.68 -1.26 -0.94 116.55 118.50 3irs n ASP 212 Ca -0.02 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.32 3irs n ASP 212 Cb 0.13 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.60 3irs n ASP 212 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3irs h MET 213 N 0.00 0.23 0.00 0.11 -0.00 -1.77 -2.38 114.93 111.12 3irs h MET 213 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 3irs h MET 213 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 3irs h MET 213 CO 0.00 0.23 0.00 0.66 -0.00 0.00 0.00 176.91 177.80 3irs n TYR 214 N -4.42 0.00 0.24 -0.10 4.01 -0.12 -2.15 117.16 114.63 3irs n TYR 214 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 3irs n TYR 214 Cb 0.15 -0.21 0.61 0.00 -0.31 0.00 0.00 39.34 39.59 3irs n TYR 214 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3irs h LEU 215 N 0.00 0.00 -8.61 7.72 5.85 -1.45 -3.41 115.31 115.41 3irs h LEU 215 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 3irs h LEU 215 Cb 0.20 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3irs h LEU 215 CO 0.00 0.15 0.98 -0.47 -0.34 0.00 0.00 178.44 178.77 3irs s TYR 216 N -4.45 2.61 -1.46 1.25 5.04 -0.91 -4.24 117.35 115.19 3irs s TYR 216 Ca -0.04 0.47 -0.08 0.00 -2.44 0.00 0.00 57.07 54.99 3irs s TYR 216 Cb 0.15 -4.49 0.04 0.00 0.35 0.00 0.00 41.96 38.00 3irs s TYR 216 CO 0.64 -1.58 0.75 -1.71 -1.34 0.00 0.00 175.55 172.31 3irs n ASN 217 N 8.45 -5.37 -4.32 4.32 5.15 -1.26 -4.98 115.26 117.24 3irs n ASN 217 Ca 0.10 -0.45 -0.17 0.00 -0.60 0.00 0.00 54.58 53.46 3irs n ASN 217 Cb 0.49 -4.33 -0.10 0.00 -0.53 0.00 0.00 39.78 35.31 3irs n ASN 217 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3irs s LEU 218 N -6.86 2.32 0.45 1.20 1.43 -1.26 -5.10 118.68 110.86 3irs s LEU 218 Ca 0.44 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.15 3irs s LEU 218 Cb -0.21 -0.35 -0.10 0.00 0.03 0.00 0.00 46.19 45.57 3irs s LEU 218 CO 0.55 -0.44 1.00 -2.65 0.23 0.00 0.00 176.35 175.04 3irs n PRO 219 N -0.38 1.28 0.00 1.29 -0.02 -1.26 -2.21 135.00 133.70 3irs n PRO 219 Ca -0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3irs n PRO 219 Cb 0.63 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3irs n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3irs n GLY 220 N 1.20 2.10 0.42 -1.23 0.00 -1.26 -4.95 105.19 101.47 3irs n GLY 220 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3irs n GLY 220 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3irs h HIS 221 N 0.00 -1.34 -0.67 1.61 6.17 -1.72 -0.64 115.15 118.56 3irs h HIS 221 Ca 0.00 0.06 0.05 0.00 0.71 0.00 0.00 60.37 61.19 3irs h HIS 221 Cb 0.00 0.62 -0.04 0.00 2.52 0.00 0.00 27.41 30.51 3irs h HIS 221 CO 0.00 -0.48 0.44 0.00 0.71 0.00 0.00 177.93 178.60 3irs h ALA 222 N 0.11 1.68 -0.30 5.26 0.00 -1.93 -1.46 119.26 122.62 3irs h ALA 222 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3irs h ALA 222 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3irs h ALA 222 CO -0.47 0.23 0.06 -0.44 0.00 0.00 0.00 179.25 178.63 3irs h ASP 223 N 0.75 0.47 -0.63 0.00 3.32 -1.75 0.23 116.42 118.82 3irs h ASP 223 Ca 0.28 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3irs h ASP 223 Cb 0.16 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3irs h ASP 223 CO -0.08 0.60 0.39 -0.26 -1.72 0.00 0.00 179.24 178.17 3irs h PHE 224 N 0.32 0.81 -0.29 4.55 0.04 -0.78 -1.91 116.94 119.68 3irs h PHE 224 Ca 0.09 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.70 3irs h PHE 224 Cb 0.32 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3irs h PHE 224 CO 0.02 0.54 -0.47 0.82 -0.60 0.00 0.00 178.31 178.61 3irs h ILE 225 N 0.85 1.28 -0.69 -0.55 1.08 -1.15 -0.04 117.51 118.30 3irs h ILE 225 Ca 0.23 -1.66 0.05 0.00 -0.39 0.00 0.00 64.86 63.09 3irs h ILE 225 Cb -0.05 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 3irs h ILE 225 CO -0.05 0.54 0.40 -0.61 -0.69 0.00 0.00 178.15 177.74 3irs h GLN 226 N 0.60 0.72 -0.20 2.37 4.15 -0.90 -2.10 115.11 119.75 3irs h GLN 226 Ca 0.02 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 3irs h GLN 226 Cb 1.08 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 3irs h GLN 226 CO 0.11 0.47 -0.53 0.00 -1.93 0.00 0.00 178.83 176.96 3irs h ALA 227 N 1.34 0.71 -0.80 3.38 0.00 -1.06 -2.60 119.26 120.23 3irs h ALA 227 Ca 0.30 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.82 3irs h ALA 227 Cb 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3irs h ALA 227 CO -0.17 0.68 0.52 0.00 0.00 0.00 0.00 179.25 180.29 3irs h ALA 228 N 0.98 1.79 -0.00 0.00 0.00 -0.65 0.48 119.26 121.87 3irs h ALA 228 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3irs h ALA 228 Cb 1.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3irs h ALA 228 CO 0.10 0.03 -0.04 0.09 0.00 0.00 0.00 179.25 179.44 3irs n ASN 229 N -4.51 0.23 0.00 0.00 3.02 -0.82 -3.09 115.26 110.08 3irs n ASN 229 Ca 0.14 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3irs n ASN 229 Cb 0.36 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3irs n ASN 229 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3irs n SER 230 N -1.03 0.00 0.29 6.41 2.88 -0.03 -4.97 113.62 117.17 3irs n SER 230 Ca 0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 3irs n SER 230 Cb 0.22 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.51 3irs n SER 230 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3irs h PHE 231 N 0.00 0.00 -0.00 0.66 -5.15 -1.87 -2.37 116.94 108.21 3irs h PHE 231 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3irs h PHE 231 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3irs h PHE 231 CO 0.00 0.00 -0.00 -0.11 -2.00 0.00 0.00 178.31 176.20 3irs n LEU 232 N -4.07 0.24 -0.34 2.10 7.94 -0.12 -3.82 117.00 118.93 3irs n LEU 232 Ca -0.03 -0.06 0.19 0.00 -1.11 0.00 0.00 56.01 54.99 3irs n LEU 232 Cb 0.08 -0.02 0.40 0.00 0.53 0.00 0.00 43.42 44.42 3irs n LEU 232 CO 0.29 0.04 1.14 0.00 -1.11 0.00 0.00 177.39 177.76 3irs h ALA 233 N 4.02 1.80 -0.01 1.96 0.00 -1.35 -0.24 119.26 125.43 3irs h ALA 233 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3irs h ALA 233 Cb 0.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3irs h ALA 233 CO 0.00 -0.34 -0.17 -0.25 0.00 0.00 0.00 179.25 178.50 3irs n ASP 234 N -4.93 1.11 -0.05 0.00 8.00 -1.25 -4.31 116.55 115.12 3irs n ASP 234 Ca 0.28 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3irs n ASP 234 Cb 0.79 0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.97 3irs n ASP 234 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3irs n ARG 235 N -0.44 0.97 -4.20 -1.24 1.74 -0.20 -4.88 116.66 108.41 3irs n ARG 235 Ca 0.14 -0.95 -0.34 0.00 -0.77 0.00 0.00 57.85 55.94 3irs n ARG 235 Cb 0.34 -0.70 -0.08 0.00 -1.02 0.00 0.00 32.46 31.00 3irs n ARG 235 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3irs s MET 236 N -0.44 3.06 -0.15 5.56 1.75 -0.60 -0.69 119.30 127.79 3irs s MET 236 Ca 0.02 -0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.05 3irs s MET 236 Cb 0.01 -2.86 0.02 0.00 2.84 0.00 0.00 34.83 34.84 3irs s MET 236 CO 0.00 0.69 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.38 3irs s LEU 237 N -1.27 1.87 0.28 4.11 1.43 -0.34 -4.40 118.68 120.36 3irs s LEU 237 Ca 0.17 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3irs s LEU 237 Cb -0.12 -1.29 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 3irs s LEU 237 CO 0.07 -0.02 1.47 0.12 0.23 0.00 0.00 176.35 178.22 3irs s PHE 238 N 1.32 2.93 -0.17 0.29 5.36 -0.36 -4.51 117.98 122.83 3irs s PHE 238 Ca 0.03 1.02 -0.28 0.00 -0.96 0.00 0.00 56.93 56.74 3irs s PHE 238 Cb -0.13 -3.88 0.07 0.00 -0.34 0.00 0.00 43.02 38.74 3irs s PHE 238 CO -0.10 -2.83 0.71 0.20 -1.46 0.00 0.00 175.22 171.75 3irs s GLY 239 N 0.27 -0.55 0.08 13.12 0.00 -1.26 -0.61 107.32 118.37 3irs s GLY 239 Ca 0.59 1.72 0.21 0.00 0.00 0.00 0.00 44.72 47.24 3irs s GLY 239 CO 0.47 1.39 0.75 -1.30 0.00 0.00 0.00 173.10 174.41 3irs n THR 240 N 1.86 0.50 -1.44 0.90 -2.24 -1.26 -4.23 114.28 108.37 3irs n THR 240 Ca -0.16 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 3irs n THR 240 Cb 0.56 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 3irs n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3irs n ALA 241 N -2.27 -0.23 -1.55 6.98 0.00 -0.57 -3.85 120.51 119.02 3irs n ALA 241 Ca -0.04 0.25 -0.49 0.00 0.00 0.00 0.00 53.44 53.15 3irs n ALA 241 Cb 0.62 -1.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 3irs n ALA 241 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3irs n TYR 242 N -2.55 1.05 1.86 0.00 9.36 -1.01 -0.75 117.16 125.12 3irs n TYR 242 Ca -0.15 0.75 0.12 0.00 3.32 0.00 0.00 57.90 61.94 3irs n TYR 242 Cb 0.51 -2.23 0.68 0.00 -0.63 0.00 0.00 39.34 37.67 3irs n TYR 242 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3irs n PRO 243 N 1.59 1.16 -0.05 2.98 -0.04 -1.26 -1.24 135.00 138.14 3irs n PRO 243 Ca 0.15 -0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 3irs n PRO 243 Cb 0.23 -1.40 0.25 0.00 -0.04 0.00 0.00 33.50 32.54 3irs n PRO 243 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3irs h MET 244 N 0.51 0.64 -6.54 0.54 2.86 -1.25 -3.42 114.93 108.28 3irs h MET 244 Ca 0.00 -0.14 -0.65 0.00 -2.06 0.00 0.00 59.70 56.85 3irs h MET 244 Cb 0.11 -0.09 -0.25 0.00 0.06 0.00 0.00 31.60 31.43 3irs h MET 244 CO 0.00 0.64 -0.86 0.00 1.06 0.00 0.00 176.91 177.75 3irs s PRO 246 N -1.44 4.24 0.17 0.00 0.04 -1.26 -3.85 135.00 132.90 3irs s PRO 246 Ca 0.10 2.38 -0.14 0.00 0.04 0.00 0.00 61.00 63.38 3irs s PRO 246 Cb -0.10 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.47 3irs s PRO 246 CO 0.03 -0.38 1.83 -0.07 0.04 0.00 0.00 177.00 178.45 3irs h LEU 247 N 3.65 0.56 0.50 -3.56 3.38 -1.95 -2.75 115.31 115.13 3irs h LEU 247 Ca -0.49 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3irs h LEU 247 Cb 1.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3irs h LEU 247 CO 0.68 0.40 -0.24 0.50 0.09 0.00 0.00 178.44 179.87 3irs h LYS 248 N 0.66 -0.65 -0.29 1.13 3.64 -1.92 -2.57 116.57 116.58 3irs h LYS 248 Ca 0.19 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 3irs h LYS 248 Cb -0.06 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3irs h LYS 248 CO -0.05 -0.37 -0.36 0.93 -2.27 0.00 0.00 179.45 177.33 3irs h GLU 249 N -1.11 0.64 -0.12 1.90 3.07 -1.99 -1.24 114.58 115.75 3irs h GLU 249 Ca -0.07 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.47 3irs h GLU 249 Cb 0.57 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3irs h GLU 249 CO 0.11 0.90 0.01 -0.92 -1.40 0.00 0.00 179.01 177.71 3irs h TYR 250 N 0.54 0.22 -0.39 4.33 3.20 -1.59 -2.24 116.97 121.03 3irs h TYR 250 Ca 0.05 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3irs h TYR 250 Cb 0.86 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3irs h TYR 250 CO 0.04 0.43 0.13 1.15 -1.64 0.00 0.00 178.16 178.27 3irs h THR 251 N -0.06 1.21 -0.74 1.81 2.02 -1.35 0.69 112.91 116.49 3irs h THR 251 Ca 0.03 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3irs h THR 251 Cb 0.34 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3irs h THR 251 CO 0.00 0.24 0.47 -0.33 0.37 0.00 0.00 175.52 176.27 3irs h GLU 252 N 0.48 0.99 -0.09 6.66 5.08 -1.28 -0.44 114.58 125.98 3irs h GLU 252 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3irs h GLU 252 Cb 0.25 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3irs h GLU 252 CO -0.01 0.68 0.05 2.35 -1.00 0.00 0.00 179.01 181.09 3irs h TRP 253 N 1.01 0.11 -0.94 4.33 7.01 -1.15 -3.08 115.95 123.24 3irs h TRP 253 Ca 0.27 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.36 3irs h TRP 253 Cb -0.07 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 26.88 3irs h TRP 253 CO -0.01 0.11 0.58 0.35 -2.79 0.00 0.00 178.44 176.68 3irs h PHE 254 N 0.09 1.07 0.00 2.65 3.57 -0.13 -1.71 116.94 122.47 3irs h PHE 254 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3irs h PHE 254 Cb 0.03 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.43 3irs h PHE 254 CO -0.06 0.48 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 3irs n LEU 255 N -4.62 0.69 -0.13 0.59 4.77 -0.24 -1.58 117.00 116.48 3irs n LEU 255 Ca 0.16 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.94 3irs n LEU 255 Cb 0.26 -0.59 0.39 0.00 -2.33 0.00 0.00 43.42 41.15 3irs n LEU 255 CO 0.29 -0.59 0.64 0.35 -1.33 0.00 0.00 177.39 176.75 3irs n THR 256 N -2.26 0.00 -2.26 -5.08 -2.24 -0.64 -4.96 114.28 96.84 3irs n THR 256 Ca 0.02 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 3irs n THR 256 Cb 0.22 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3irs n THR 256 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3irs s LEU 257 N -2.70 3.94 -1.31 3.22 1.43 -0.62 -4.88 118.68 117.76 3irs s LEU 257 Ca 0.20 2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 55.43 3irs s LEU 257 Cb 0.19 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 3irs s LEU 257 CO 0.57 -1.00 2.30 -0.81 0.23 0.00 0.00 176.35 177.65 3irs n PRO 258 N -0.71 2.69 -4.24 1.29 -0.04 -1.26 -4.85 135.00 127.88 3irs n PRO 258 Ca 0.08 -2.28 -0.34 0.00 -0.04 0.00 0.00 63.50 60.92 3irs n PRO 258 Cb 0.49 -3.05 -0.13 0.00 -0.04 0.00 0.00 33.50 30.76 3irs n PRO 258 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3irs s ILE 259 N 3.37 3.63 0.40 0.52 1.01 -1.26 -4.95 121.20 123.92 3irs s ILE 259 Ca 0.53 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 3irs s ILE 259 Cb 0.15 -2.61 -0.10 0.00 0.01 0.00 0.00 42.46 39.90 3irs s ILE 259 CO -0.04 0.46 1.32 2.29 0.00 0.00 0.00 174.94 178.97 3irs n LYS 260 N 4.08 2.11 -0.12 2.79 2.85 -1.26 -4.56 118.16 124.04 3irs n LYS 260 Ca -0.18 0.75 0.10 0.00 -1.05 0.00 0.00 58.31 57.93 3irs n LYS 260 Cb 0.52 -2.43 0.45 0.00 -0.65 0.00 0.00 35.03 32.92 3irs n LYS 260 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3irs h PRO 261 N 2.33 0.51 -0.27 -1.58 0.11 -1.98 0.83 132.00 131.95 3irs h PRO 261 Ca -0.48 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 3irs h PRO 261 Cb 1.28 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3irs h PRO 261 CO 0.61 0.34 -0.54 0.38 -0.21 0.00 0.00 178.00 178.58 3irs h ASP 262 N 0.52 0.91 0.02 -2.05 2.03 -2.00 -1.42 116.42 114.44 3irs h ASP 262 Ca 0.30 -0.48 -0.10 0.00 -0.73 0.00 0.00 57.03 56.01 3irs h ASP 262 Cb 0.48 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 3irs h ASP 262 CO -0.09 1.27 -0.31 0.00 -1.03 0.00 0.00 179.24 179.08 3irs h ALA 263 N 0.75 1.09 -0.66 4.15 0.00 -1.60 -2.69 119.26 120.30 3irs h ALA 263 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3irs h ALA 263 Cb 1.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3irs h ALA 263 CO 0.12 0.57 0.33 1.98 0.00 0.00 0.00 179.25 182.25 3irs h MET 264 N 0.36 0.94 -0.64 0.00 -1.53 -0.61 0.13 114.93 113.58 3irs h MET 264 Ca 0.05 -0.13 -0.09 0.00 -3.44 0.00 0.00 59.70 56.09 3irs h MET 264 Cb 0.72 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 3irs h MET 264 CO 0.06 0.73 0.05 0.93 0.14 0.00 0.00 176.91 178.82 3irs h GLU 265 N 0.90 1.09 -0.21 0.39 5.08 -1.12 -0.74 114.58 119.97 3irs h GLU 265 Ca 0.23 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3irs h GLU 265 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3irs h GLU 265 CO -0.03 1.03 0.13 0.87 -1.00 0.00 0.00 179.01 180.00 3irs h LYS 266 N 1.00 0.28 -0.27 2.33 1.57 -1.22 -1.30 116.57 118.97 3irs h LYS 266 Ca 0.19 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 3irs h LYS 266 Cb 0.50 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3irs h LYS 266 CO 0.02 0.23 -0.45 0.82 -0.57 0.00 0.00 179.45 179.51 3irs h ILE 267 N 0.25 1.29 -0.44 1.86 2.04 -0.73 0.17 117.51 121.96 3irs h ILE 267 Ca 0.07 -1.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.20 3irs h ILE 267 Cb 0.02 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3irs h ILE 267 CO -0.01 0.53 -0.12 -0.07 0.00 0.00 0.00 178.15 178.47 3irs h LEU 268 N 0.53 0.79 0.00 1.44 3.38 -1.19 -0.95 115.31 119.31 3irs h LEU 268 Ca 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3irs h LEU 268 Cb 1.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3irs h LEU 268 CO 0.10 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.56 3irs n HIS 269 N -4.16 0.00 -0.32 1.13 1.44 -0.65 -0.43 115.22 112.23 3irs n HIS 269 Ca 0.01 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.69 3irs n HIS 269 Cb 0.38 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.60 3irs n HIS 269 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3irs h GLY 270 N 0.00 1.30 0.67 -1.39 0.00 -0.37 -1.11 103.07 102.17 3irs h GLY 270 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 3irs h GLY 270 CO 0.00 0.55 -0.26 3.43 0.00 0.00 0.00 176.54 180.27 3irs h ASN 271 N 1.23 0.37 -0.85 0.19 2.35 -0.98 -2.41 115.58 115.48 3irs h ASN 271 Ca 0.31 -0.61 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 3irs h ASN 271 Cb 0.00 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.21 3irs h ASN 271 CO -0.05 0.91 0.53 0.00 -1.65 0.00 0.00 177.43 177.17 3irs h ALA 272 N 0.46 1.14 -0.46 -0.83 0.00 -1.74 -0.81 119.26 117.02 3irs h ALA 272 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3irs h ALA 272 Cb 0.88 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3irs h ALA 272 CO 0.05 0.32 0.29 1.49 0.00 0.00 0.00 179.25 181.40 3irs h GLU 273 N 1.00 0.62 -0.07 0.00 4.81 -1.18 0.19 114.58 119.96 3irs h GLU 273 Ca 0.35 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3irs h GLU 273 Cb 0.09 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3irs h GLU 273 CO -0.15 0.44 0.04 -0.09 -0.73 0.00 0.00 179.01 178.52 3irs h ARG 274 N 0.62 0.10 -0.53 1.92 2.43 -1.06 -1.41 114.38 116.46 3irs h ARG 274 Ca 0.17 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3irs h ARG 274 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3irs h ARG 274 CO -0.03 0.17 0.22 1.25 -1.51 0.00 0.00 179.97 180.07 3irs h LEU 275 N 0.00 0.72 -0.94 3.80 6.46 -0.90 -0.97 115.31 123.48 3irs h LEU 275 Ca 0.02 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.54 3irs h LEU 275 Cb 0.10 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 3irs h LEU 275 CO -0.00 0.68 -0.20 -0.07 -0.62 0.00 0.00 178.44 178.23 3irs h LEU 276 N 0.71 0.54 -0.51 2.25 3.38 -0.54 -2.28 115.31 118.86 3irs h LEU 276 Ca 0.18 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3irs h LEU 276 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3irs h LEU 276 CO -0.02 0.75 -0.71 0.00 0.09 0.00 0.00 178.44 178.55 3irs h ALA 277 N 1.30 0.73 0.00 1.53 0.00 -1.06 -3.24 119.26 118.52 3irs h ALA 277 Ca 0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3irs h ALA 277 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3irs h ALA 277 CO 0.04 0.81 -0.47 1.96 0.00 0.00 0.00 179.25 181.59 3irs h GLN 278 N 0.14 0.00 -6.08 0.00 4.20 -0.86 -3.46 115.11 109.06 3irs h GLN 278 Ca -0.02 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.09 3irs h GLN 278 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3irs h GLN 278 CO 0.11 0.47 1.39 0.00 -0.67 0.00 0.00 178.83 180.13 3irs n ALA 279 N -2.37 1.51 0.00 3.87 0.00 -0.89 -4.32 120.51 118.32 3irs n ALA 279 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3irs n ALA 279 Cb 0.53 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.22 3irs n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3irs n GLY 280 N 5.57 0.75 0.04 0.00 0.00 -0.68 -4.88 105.19 105.99 3irs n GLY 280 Ca 0.30 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3irs n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86