#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyi h PRO 27 N 0.00 0.27 0.00 1.57 0.11 -1.97 0.66 132.00 132.63 3jyi h PRO 27 Ca 0.00 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3jyi h PRO 27 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3jyi h PRO 27 CO 0.00 0.18 -0.53 0.93 -0.21 0.00 0.00 178.00 178.36 3jyi h GLU 28 N 0.27 0.00 -0.21 1.05 4.39 -1.99 -2.03 114.58 116.07 3jyi h GLU 28 Ca 0.71 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.28 3jyi h GLU 28 Cb 1.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 3jyi h GLU 28 CO -0.44 0.53 -0.39 1.15 -1.16 0.00 0.00 179.01 178.70 3jyi h THR 29 N 0.00 1.32 -0.93 1.13 2.02 -1.18 -2.61 112.91 112.66 3jyi h THR 29 Ca -0.01 -1.61 0.06 0.00 0.77 0.00 0.00 66.41 65.62 3jyi h THR 29 Cb 1.21 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 3jyi h THR 29 CO 0.07 0.50 0.59 0.25 0.37 0.00 0.00 175.52 177.31 3jyi h LEU 30 N 0.32 0.95 -0.93 2.58 5.85 -1.37 -0.15 115.31 122.56 3jyi h LEU 30 Ca 0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3jyi h LEU 30 Cb 0.99 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3jyi h LEU 30 CO 0.09 0.61 0.57 0.58 -0.34 0.00 0.00 178.44 179.95 3jyi h VAL 31 N 1.09 1.25 -0.36 1.05 2.07 -1.28 -1.72 116.25 118.35 3jyi h VAL 31 Ca 0.40 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3jyi h VAL 31 Cb 0.15 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3jyi h VAL 31 CO -0.17 0.26 -0.31 0.50 0.02 0.00 0.00 177.57 177.87 3jyi h LYS 32 N 1.28 0.78 0.21 1.57 1.63 -0.84 -1.37 116.57 119.83 3jyi h LYS 32 Ca 0.34 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3jyi h LYS 32 Cb -0.07 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 3jyi h LYS 32 CO -0.06 0.99 -0.18 0.28 -3.45 0.00 0.00 179.45 177.03 3jyi h VAL 33 N 0.66 0.61 -0.89 2.00 2.07 -0.71 0.22 116.25 120.21 3jyi h VAL 33 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3jyi h VAL 33 Cb 0.85 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3jyi h VAL 33 CO 0.07 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.35 3jyi h LYS 34 N -0.41 0.82 -0.07 1.57 1.57 -1.20 0.55 116.57 119.40 3jyi h LYS 34 Ca -0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3jyi h LYS 34 Cb 0.37 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3jyi h LYS 34 CO -0.02 0.54 -0.28 0.22 -0.57 0.00 0.00 179.45 179.34 3jyi h ASP 35 N 0.84 0.13 0.02 0.86 3.58 -0.49 -2.59 116.42 118.78 3jyi h ASP 35 Ca 0.42 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.74 3jyi h ASP 35 Cb 0.47 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 3jyi h ASP 35 CO -0.18 0.42 -0.27 0.00 -2.88 0.00 0.00 179.24 176.33 3jyi h ALA 36 N 1.60 1.17 -0.13 -0.78 0.00 0.12 -1.54 119.26 119.69 3jyi h ALA 36 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3jyi h ALA 36 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jyi h ALA 36 CO 0.04 0.53 0.07 0.93 0.00 0.00 0.00 179.25 180.83 3jyi h GLU 37 N 0.34 0.18 -0.58 0.00 5.08 -1.05 -2.27 114.58 116.28 3jyi h GLU 37 Ca 0.05 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3jyi h GLU 37 Cb 0.65 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3jyi h GLU 37 CO 0.05 0.19 0.34 -0.44 -1.00 0.00 0.00 179.01 178.15 3jyi h ASP 38 N 0.12 0.55 0.33 1.42 3.45 -1.25 0.35 116.42 121.39 3jyi h ASP 38 Ca 0.05 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.42 3jyi h ASP 38 Cb 0.06 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3jyi h ASP 38 CO -0.01 0.38 -0.39 1.56 -1.57 0.00 0.00 179.24 179.22 3jyi h GLN 39 N 0.67 0.09 0.00 3.56 1.08 -1.19 -3.12 115.11 116.20 3jyi h GLN 39 Ca 0.24 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3jyi h GLN 39 Cb 0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3jyi h GLN 39 CO -0.11 0.47 -1.83 1.28 -0.95 0.00 0.00 178.83 177.69 3jyi n LEU 40 N -4.06 0.16 -3.48 1.46 4.77 -0.86 -5.00 117.00 109.99 3jyi n LEU 40 Ca -0.02 -0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.72 3jyi n LEU 40 Cb 0.44 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3jyi n LEU 40 CO 0.40 0.03 0.08 0.61 -1.33 0.00 0.00 177.39 177.18 3jyi n GLY 41 N 1.29 -0.35 3.44 -0.72 0.00 0.12 -4.16 105.19 104.82 3jyi n GLY 41 Ca -0.03 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 3jyi n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyi s ALA 42 N -3.42 -1.54 0.66 4.61 0.00 -1.14 -4.48 121.76 116.44 3jyi s ALA 42 Ca 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 3jyi s ALA 42 Cb -0.00 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 3jyi s ALA 42 CO 0.74 -0.51 1.27 1.03 0.00 0.00 0.00 175.76 178.30 3jyi s ARG 43 N -2.24 2.52 -0.05 0.00 0.52 -1.25 -4.45 118.95 114.00 3jyi s ARG 43 Ca -0.06 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 3jyi s ARG 43 Cb -0.01 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.64 3jyi s ARG 43 CO 0.00 -1.60 -0.04 0.08 0.02 0.00 0.00 175.30 173.76 3jyi s VAL 44 N -1.50 0.53 -0.03 3.52 1.01 -1.26 -3.67 120.40 119.00 3jyi s VAL 44 Ca 0.81 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 3jyi s VAL 44 Cb -0.36 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3jyi s VAL 44 CO 0.40 0.24 0.17 -0.83 0.00 0.00 0.00 175.10 175.08 3jyi s GLY 45 N 1.17 2.17 -0.24 4.51 0.00 0.91 -4.57 107.32 111.26 3jyi s GLY 45 Ca -0.07 -0.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.77 3jyi s GLY 45 CO -0.01 -0.61 0.59 -0.47 0.00 0.00 0.00 173.10 172.59 3jyi s TYR 46 N -1.27 -0.93 0.03 1.90 5.04 -0.35 -1.76 117.35 120.01 3jyi s TYR 46 Ca 0.25 1.87 -0.03 0.00 -2.44 0.00 0.00 57.07 56.72 3jyi s TYR 46 Cb -0.12 0.52 -0.02 0.00 0.35 0.00 0.00 41.96 42.69 3jyi s TYR 46 CO 0.16 -0.48 0.04 -1.50 -1.34 0.00 0.00 175.55 172.43 3jyi s ILE 47 N 1.67 0.14 -0.09 3.14 2.07 -0.80 -0.55 121.20 126.77 3jyi s ILE 47 Ca -0.09 -1.17 -0.02 0.00 -1.41 0.00 0.00 60.65 57.96 3jyi s ILE 47 Cb -0.07 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.73 3jyi s ILE 47 CO -0.17 -0.64 0.02 -0.70 -1.91 0.00 0.00 174.94 171.54 3jyi s GLU 48 N -2.51 0.46 0.01 3.50 2.12 -0.19 -1.87 118.70 120.22 3jyi s GLU 48 Ca -0.06 0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.39 3jyi s GLU 48 Cb -0.02 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.20 3jyi s GLU 48 CO -0.04 -0.39 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.60 3jyi s LEU 49 N 2.00 2.57 -0.13 2.70 1.43 0.68 -0.68 118.68 127.25 3jyi s LEU 49 Ca 0.04 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 3jyi s LEU 49 Cb -0.13 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 3jyi s LEU 49 CO -0.06 0.29 1.27 -0.62 0.23 0.00 0.00 176.35 177.47 3jyi s ASP 50 N -1.14 6.95 0.40 2.29 2.15 -0.45 -0.51 116.67 126.36 3jyi s ASP 50 Ca 0.13 1.76 0.08 0.00 0.43 0.00 0.00 52.55 54.96 3jyi s ASP 50 Cb -0.10 -2.54 0.86 0.00 -0.30 0.00 0.00 42.92 40.83 3jyi s ASP 50 CO 0.03 -0.73 2.00 0.25 -0.17 0.00 0.00 175.17 176.55 3jyi h LEU 51 N 9.35 0.52 0.00 -1.34 5.85 -1.48 0.59 115.31 128.80 3jyi h LEU 51 Ca -0.29 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3jyi h LEU 51 Cb 1.12 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3jyi h LEU 51 CO 0.95 0.35 -0.07 0.78 -0.34 0.00 0.00 178.44 180.11 3jyi h ASN 52 N 0.60 0.00 0.69 1.25 2.35 -1.91 -3.38 115.58 115.17 3jyi h ASN 52 Ca 0.25 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 3jyi h ASN 52 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3jyi h ASN 52 CO -0.07 0.23 -0.39 0.77 -1.65 0.00 0.00 177.43 176.32 3jyi h SER 53 N -0.39 0.00 0.00 5.81 4.64 -1.96 -3.46 113.55 118.19 3jyi h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jyi h SER 53 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3jyi h SER 53 CO 0.00 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 3jyi n GLY 54 N 0.04 0.76 3.76 -0.77 0.00 0.21 -5.00 105.19 104.18 3jyi n GLY 54 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3jyi n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jyi s LYS 55 N -0.17 3.34 -0.21 1.61 2.20 -1.26 -4.56 119.74 120.69 3jyi s LYS 55 Ca 0.00 2.19 -0.27 0.00 -0.36 0.00 0.00 55.97 57.52 3jyi s LYS 55 Cb 0.00 -2.35 -0.00 0.00 -1.51 0.00 0.00 37.83 33.97 3jyi s LYS 55 CO 0.00 -1.02 0.96 0.42 -0.36 0.00 0.00 175.35 175.35 3jyi s ILE 56 N -1.32 4.76 -0.12 5.43 1.01 -1.26 -1.33 121.20 128.36 3jyi s ILE 56 Ca 0.68 1.86 0.19 0.00 0.00 0.00 0.00 60.65 63.39 3jyi s ILE 56 Cb -0.39 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.59 3jyi s ILE 56 CO 0.47 -0.10 0.42 0.18 0.00 0.00 0.00 174.94 175.91 3jyi n LEU 57 N 5.91 0.23 -3.60 2.97 4.77 0.15 -4.98 117.00 122.44 3jyi n LEU 57 Ca 0.09 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3jyi n LEU 57 Cb 0.47 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3jyi n LEU 57 CO 0.50 0.22 0.59 -0.70 -1.33 0.00 0.00 177.39 176.67 3jyi s GLU 58 N -2.98 0.74 -0.03 3.23 2.56 -1.22 -4.32 118.70 116.68 3jyi s GLU 58 Ca -0.07 0.53 -0.30 0.00 0.00 0.00 0.00 54.97 55.13 3jyi s GLU 58 Cb 0.10 0.36 0.07 0.00 2.00 0.00 0.00 34.13 36.65 3jyi s GLU 58 CO 0.85 -0.16 0.66 -1.54 -0.56 0.00 0.00 175.26 174.51 3jyi s SER 59 N -0.34 -0.63 -0.20 -1.70 1.04 -1.26 -1.02 113.70 109.59 3jyi s SER 59 Ca -0.02 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 56.99 3jyi s SER 59 Cb -0.03 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.73 3jyi s SER 59 CO 0.01 -0.63 0.41 0.12 0.98 0.00 0.00 173.24 174.12 3jyi s PHE 60 N -1.41 -0.79 -1.34 5.02 5.36 0.28 -4.88 117.98 120.22 3jyi s PHE 60 Ca -0.10 1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 57.24 3jyi s PHE 60 Cb -0.00 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.94 3jyi s PHE 60 CO 0.08 -0.52 0.76 0.54 -1.46 0.00 0.00 175.22 174.62 3jyi n ARG 61 N 5.39 -5.14 0.26 10.12 1.74 -1.26 -1.21 116.66 126.56 3jyi n ARG 61 Ca -0.07 0.63 0.10 0.00 -0.77 0.00 0.00 57.85 57.74 3jyi n ARG 61 Cb 0.50 -5.27 0.71 0.00 -1.02 0.00 0.00 32.46 27.38 3jyi n ARG 61 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3jyi h PRO 62 N -1.92 0.00 -0.02 5.56 0.11 -1.90 -3.13 132.00 130.70 3jyi h PRO 62 Ca -0.61 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 3jyi h PRO 62 Cb 1.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3jyi h PRO 62 CO 0.58 0.05 -0.21 0.39 -0.21 0.00 0.00 178.00 178.60 3jyi n GLU 63 N -4.18 1.48 -3.27 1.05 1.02 -1.26 -1.08 120.64 114.40 3jyi n GLU 63 Ca -0.03 -2.91 -0.23 0.00 -0.02 0.00 0.00 57.16 53.98 3jyi n GLU 63 Cb 0.14 -1.57 -0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3jyi n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3jyi s GLU 64 N -3.04 3.28 -0.13 3.49 2.02 -1.18 -5.00 118.70 118.13 3jyi s GLU 64 Ca 0.35 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.78 3jyi s GLU 64 Cb 0.32 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3jyi s GLU 64 CO -0.01 -0.01 0.13 1.03 0.02 0.00 0.00 175.26 176.42 3jyi s ARG 65 N -4.38 3.55 0.08 1.61 0.52 -1.26 -4.18 118.95 114.89 3jyi s ARG 65 Ca 0.43 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.51 3jyi s ARG 65 Cb -0.10 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 3jyi s ARG 65 CO 0.36 0.68 -0.10 -0.06 0.02 0.00 0.00 175.30 176.20 3jyi s PHE 66 N -0.74 0.95 0.16 -0.53 0.08 -0.49 -4.96 117.98 112.44 3jyi s PHE 66 Ca 0.13 -0.60 -0.32 0.00 0.12 0.00 0.00 56.93 56.26 3jyi s PHE 66 Cb -0.12 -0.54 -0.12 0.00 -0.57 0.00 0.00 43.02 41.67 3jyi s PHE 66 CO 0.03 -0.03 1.74 -2.30 -0.10 0.00 0.00 175.22 174.56 3jyi n PRO 67 N 0.91 2.62 -0.19 0.24 -0.02 -1.26 -1.71 135.00 135.59 3jyi n PRO 67 Ca -0.19 0.95 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 3jyi n PRO 67 Cb 0.56 -2.80 0.08 0.00 -0.02 0.00 0.00 33.50 31.33 3jyi n PRO 67 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3jyi h MET 68 N 7.30 1.00 0.00 -0.52 2.86 -1.62 -3.46 114.93 120.49 3jyi h MET 68 Ca -0.45 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 3jyi h MET 68 Cb 1.22 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3jyi h MET 68 CO 0.94 0.95 0.00 -1.33 1.06 0.00 0.00 176.91 178.53 3jyi n MET 69 N -4.21 0.00 0.00 1.72 2.81 -1.26 -2.63 117.12 113.55 3jyi n MET 69 Ca 0.04 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.94 3jyi n MET 69 Cb 0.30 0.00 0.09 0.00 -0.71 0.00 0.00 33.22 32.91 3jyi n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3jyi n SER 70 N -3.16 0.00 0.32 7.83 7.64 -1.26 -2.02 113.62 122.97 3jyi n SER 70 Ca 0.00 0.17 0.20 0.00 1.01 0.00 0.00 58.87 60.25 3jyi n SER 70 Cb 0.00 -0.23 1.09 0.00 -1.01 0.00 0.00 64.21 64.06 3jyi n SER 70 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3jyi h THR 71 N 0.00 0.12 0.00 0.44 2.02 -1.61 -2.12 112.91 111.76 3jyi h THR 71 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3jyi h THR 71 Cb 0.03 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3jyi h THR 71 CO 0.00 0.00 -0.22 2.19 0.37 0.00 0.00 175.52 177.86 3jyi h PHE 72 N 0.00 0.00 0.00 3.16 -5.15 -1.60 -3.24 116.94 110.11 3jyi h PHE 72 Ca 0.01 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3jyi h PHE 72 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.30 3jyi h PHE 72 CO 0.00 0.22 -0.01 0.87 -2.00 0.00 0.00 178.31 177.39 3jyi h LYS 73 N 0.00 0.00 -0.05 6.09 1.57 -1.64 0.91 116.57 123.46 3jyi h LYS 73 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3jyi h LYS 73 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3jyi h LYS 73 CO 0.03 0.01 -0.21 0.28 -0.57 0.00 0.00 179.45 178.98 3jyi h VAL 74 N 0.00 1.45 -0.90 0.50 2.07 -1.77 -2.48 116.25 115.12 3jyi h VAL 74 Ca -0.00 -1.66 0.09 0.00 0.82 0.00 0.00 66.70 65.96 3jyi h VAL 74 Cb 0.06 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 3jyi h VAL 74 CO 0.00 0.46 0.55 -0.07 0.02 0.00 0.00 177.57 178.53 3jyi h LEU 75 N -0.31 0.82 0.60 2.57 4.07 -1.12 -1.66 115.31 120.28 3jyi h LEU 75 Ca -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 3jyi h LEU 75 Cb 0.86 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 3jyi h LEU 75 CO 0.04 0.47 -0.41 0.25 -1.08 0.00 0.00 178.44 177.72 3jyi h LEU 76 N 0.92 -1.04 -1.99 1.67 5.85 -0.93 -1.33 115.31 118.46 3jyi h LEU 76 Ca 0.43 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3jyi h LEU 76 Cb 0.35 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3jyi h LEU 76 CO -0.23 -0.61 0.00 0.00 -0.34 0.00 0.00 178.44 177.26 3jyi h GLY 78 N 0.79 0.81 0.97 0.00 0.00 -0.64 -2.04 103.07 102.95 3jyi h GLY 78 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.29 3jyi h GLY 78 CO 0.00 0.89 0.15 0.00 0.00 0.00 0.00 176.54 177.58 3jyi h ALA 79 N 0.61 0.64 -0.80 3.60 0.00 0.18 -1.03 119.26 122.47 3jyi h ALA 79 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3jyi h ALA 79 Cb 1.13 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3jyi h ALA 79 CO 0.11 0.29 0.51 0.28 0.00 0.00 0.00 179.25 180.45 3jyi h VAL 80 N 0.65 1.13 -0.26 0.00 2.07 -1.26 -2.30 116.25 116.28 3jyi h VAL 80 Ca 0.16 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3jyi h VAL 80 Cb 0.27 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3jyi h VAL 80 CO -0.00 0.18 -0.31 -0.07 0.02 0.00 0.00 177.57 177.39 3jyi h LEU 81 N 1.00 0.56 -1.56 2.57 3.38 -1.16 -1.74 115.31 118.36 3jyi h LEU 81 Ca 0.32 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3jyi h LEU 81 Cb -0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3jyi h LEU 81 CO -0.11 0.84 0.32 -1.28 0.09 0.00 0.00 178.44 178.30 3jyi h SER 82 N 0.47 0.50 0.18 -0.43 0.87 -0.65 -1.23 113.55 113.25 3jyi h SER 82 Ca 0.06 -0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.30 3jyi h SER 82 Cb 0.77 -0.12 0.03 0.00 -0.44 0.00 0.00 62.40 62.64 3jyi h SER 82 CO 0.06 0.35 -1.31 0.03 -0.53 0.00 0.00 176.83 175.43 3jyi h ARG 83 N 0.58 0.57 -0.89 2.24 3.08 -1.00 -2.84 114.38 116.13 3jyi h ARG 83 Ca 0.19 -0.85 0.12 0.00 0.07 0.00 0.00 59.98 59.51 3jyi h ARG 83 Cb 0.05 0.30 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 3jyi h ARG 83 CO -0.05 1.40 0.51 0.28 -1.07 0.00 0.00 179.97 181.04 3jyi h VAL 84 N 0.18 0.85 0.00 2.04 2.07 -0.88 0.12 116.25 120.63 3jyi h VAL 84 Ca -0.21 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3jyi h VAL 84 Cb 2.00 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3jyi h VAL 84 CO 0.25 0.14 -0.14 0.44 0.02 0.00 0.00 177.57 178.28 3jyi h ASP 85 N 0.79 0.00 -0.40 0.57 3.32 -1.20 -2.84 116.42 116.65 3jyi h ASP 85 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3jyi h ASP 85 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3jyi h ASP 85 CO -0.29 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3jyi n ALA 86 N -2.43 2.43 -1.40 3.45 0.00 0.30 -4.94 120.51 117.92 3jyi n ALA 86 Ca -0.02 -0.96 -0.06 0.00 0.00 0.00 0.00 53.44 52.40 3jyi n ALA 86 Cb 0.22 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 3jyi n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyi n GLY 87 N 1.47 0.66 0.52 0.00 0.00 -0.60 -4.91 105.19 102.33 3jyi n GLY 87 Ca 0.19 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.50 3jyi n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jyi n GLN 88 N -2.51 2.90 -3.50 1.61 6.02 -0.39 -5.00 117.38 116.51 3jyi n GLN 88 Ca -0.06 -1.95 -0.10 0.00 -0.01 0.00 0.00 57.00 54.88 3jyi n GLN 88 Cb 0.28 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 3jyi n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3jyi s GLU 89 N -1.01 0.88 -0.05 -1.09 2.56 -1.23 -4.84 118.70 113.93 3jyi s GLU 89 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.92 3jyi s GLU 89 Cb 0.10 0.41 0.02 0.00 2.00 0.00 0.00 34.13 36.66 3jyi s GLU 89 CO 0.13 -0.37 -0.03 -0.65 -0.56 0.00 0.00 175.26 173.78 3jyi s GLN 90 N -2.86 0.69 0.52 4.30 -0.21 -1.26 -4.23 119.66 116.61 3jyi s GLN 90 Ca 0.03 -0.02 0.23 0.00 0.02 0.00 0.00 55.36 55.62 3jyi s GLN 90 Cb -0.01 -0.83 1.34 0.00 1.00 0.00 0.00 33.01 34.52 3jyi s GLN 90 CO -0.07 -0.15 2.00 -0.07 -2.12 0.00 0.00 175.29 174.88 3jyi h LEU 91 N 7.52 0.05 -0.04 2.90 4.07 -1.96 -1.28 115.31 126.56 3jyi h LEU 91 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 3jyi h LEU 91 Cb 1.14 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3jyi h LEU 91 CO 0.41 0.03 -0.13 0.61 -1.08 0.00 0.00 178.44 178.28 3jyi n GLY 92 N -1.62 -1.32 3.74 0.83 0.00 -1.26 -1.15 105.19 104.40 3jyi n GLY 92 Ca 0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3jyi n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jyi s ARG 93 N -2.86 4.18 -0.14 1.61 3.52 -0.48 -4.76 118.95 120.02 3jyi s ARG 93 Ca 0.18 2.47 -0.08 0.00 -0.13 0.00 0.00 55.73 58.17 3jyi s ARG 93 Cb 0.19 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3jyi s ARG 93 CO 0.55 -0.59 0.12 0.50 -0.81 0.00 0.00 175.30 175.07 3jyi s ARG 94 N 0.14 3.66 -0.07 5.12 3.52 -1.26 -1.45 118.95 128.61 3jyi s ARG 94 Ca 0.66 -0.18 0.05 0.00 -0.13 0.00 0.00 55.73 56.12 3jyi s ARG 94 Cb -0.46 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 29.69 3jyi s ARG 94 CO 0.41 0.61 -0.23 0.42 -0.81 0.00 0.00 175.30 175.70 3jyi s ILE 95 N -0.54 1.89 -0.02 4.11 1.01 0.53 -4.94 121.20 123.24 3jyi s ILE 95 Ca 0.12 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3jyi s ILE 95 Cb -0.12 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3jyi s ILE 95 CO 0.02 0.53 -0.08 -1.00 0.00 0.00 0.00 174.94 174.41 3jyi s HIS 96 N 0.06 2.88 0.26 3.97 3.76 -1.26 -1.26 115.29 123.70 3jyi s HIS 96 Ca -0.09 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.77 3jyi s HIS 96 Cb -0.15 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 3jyi s HIS 96 CO 0.05 0.34 0.29 1.52 -0.85 0.00 0.00 174.74 176.09 3jyi s TYR 97 N -0.92 1.12 0.24 1.40 -0.85 -1.26 -5.06 117.35 112.02 3jyi s TYR 97 Ca 0.15 -1.30 0.09 0.00 -0.52 0.00 0.00 57.07 55.49 3jyi s TYR 97 Cb -0.11 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 3jyi s TYR 97 CO 0.05 -0.84 0.01 0.45 -1.52 0.00 0.00 175.55 173.70 3jyi s SER 98 N -3.19 4.66 0.42 -0.18 0.15 -1.26 -4.88 113.70 109.42 3jyi s SER 98 Ca 0.35 -0.55 0.23 0.00 0.70 0.00 0.00 55.95 56.67 3jyi s SER 98 Cb 0.03 -0.92 1.22 0.00 -1.71 0.00 0.00 66.02 64.64 3jyi s SER 98 CO 0.16 0.02 1.73 -0.61 1.20 0.00 0.00 173.24 175.75 3jyi h GLN 99 N 2.08 0.28 0.00 5.44 5.75 -1.98 0.10 115.11 126.77 3jyi h GLN 99 Ca -0.45 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3jyi h GLN 99 Cb 1.24 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.72 3jyi h GLN 99 CO 0.59 0.18 0.00 -1.71 -2.65 0.00 0.00 178.83 175.25 3jyi n ASN 100 N -4.62 0.27 0.01 -0.69 5.15 -1.26 -2.78 115.26 111.34 3jyi n ASN 100 Ca 0.29 0.56 -0.06 0.00 -0.60 0.00 0.00 54.58 54.77 3jyi n ASN 100 Cb 1.05 -0.62 -0.12 0.00 -0.53 0.00 0.00 39.78 39.57 3jyi n ASN 100 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3jyi h ASP 101 N 0.00 0.00 -2.35 1.20 3.32 -1.19 -3.47 116.42 113.94 3jyi h ASP 101 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3jyi h ASP 101 Cb 0.33 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.94 3jyi h ASP 101 CO 0.00 0.90 0.82 0.18 -1.72 0.00 0.00 179.24 179.41 3jyi n LEU 102 N -3.09 3.21 0.00 1.55 4.32 -1.12 -4.91 117.00 116.97 3jyi n LEU 102 Ca -0.11 1.08 -0.17 0.00 -0.02 0.00 0.00 56.01 56.80 3jyi n LEU 102 Cb 0.97 -1.45 -0.01 0.00 -1.62 0.00 0.00 43.42 41.31 3jyi n LEU 102 CO 0.45 -0.24 -0.02 1.33 -1.22 0.00 0.00 177.39 177.69 3jyi n VAL 103 N 3.40 0.00 -1.67 4.08 0.24 -1.26 -5.07 118.33 118.06 3jyi n VAL 103 Ca 0.17 -1.33 -0.45 0.00 -2.04 0.00 0.00 64.34 60.68 3jyi n VAL 103 Cb 0.30 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 3jyi n VAL 103 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3jyi n GLU 104 N -1.09 2.06 -2.67 7.34 2.13 -1.26 -4.07 120.64 123.07 3jyi n GLU 104 Ca -0.05 0.73 -0.03 0.00 0.66 0.00 0.00 57.16 58.47 3jyi n GLU 104 Cb 0.37 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.68 3jyi n GLU 104 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3jyi n TYR 105 N 2.08 -2.61 -3.13 4.31 9.36 -1.26 -4.61 117.16 121.29 3jyi n TYR 105 Ca 0.12 1.03 -0.23 0.00 3.32 0.00 0.00 57.90 62.13 3jyi n TYR 105 Cb 0.31 -3.60 -0.05 0.00 -0.63 0.00 0.00 39.34 35.38 3jyi n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3jyi n SER 106 N -0.97 2.51 -0.29 2.98 7.64 -1.26 -2.02 113.62 122.22 3jyi n SER 106 Ca 0.05 -3.28 0.08 0.00 1.01 0.00 0.00 58.87 56.73 3jyi n SER 106 Cb 0.43 -0.61 0.23 0.00 -1.01 0.00 0.00 64.21 63.26 3jyi n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3jyi h PRO 107 N 3.31 0.50 0.00 1.43 0.13 -1.95 -1.77 132.00 133.65 3jyi h PRO 107 Ca 0.12 -0.03 -0.38 0.00 -0.87 0.00 0.00 66.00 64.85 3jyi h PRO 107 Cb 0.74 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.69 3jyi h PRO 107 CO 0.66 0.33 -2.41 1.55 -0.23 0.00 0.00 178.00 177.91 3jyi n VAL 108 N -4.95 1.43 0.05 1.56 3.14 -1.26 -4.48 118.33 113.82 3jyi n VAL 108 Ca 0.17 -0.77 -0.03 0.00 -2.96 0.00 0.00 64.34 60.76 3jyi n VAL 108 Cb 0.48 -0.77 0.21 0.00 -1.06 0.00 0.00 33.84 32.71 3jyi n VAL 108 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3jyi h THR 109 N 0.00 1.28 -0.68 1.55 1.35 -1.95 -2.54 112.91 111.92 3jyi h THR 109 Ca -0.56 -1.37 0.20 0.00 -0.55 0.00 0.00 66.41 64.14 3jyi h THR 109 Cb 2.14 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 70.03 3jyi h THR 109 CO -0.01 0.42 0.63 -0.33 -0.25 0.00 0.00 175.52 175.99 3jyi h GLU 110 N 0.32 0.00 -0.60 4.72 5.08 -1.54 -2.36 114.58 120.20 3jyi h GLU 110 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3jyi h GLU 110 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3jyi h GLU 110 CO 0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 3jyi n LYS 111 N -3.82 2.55 -2.66 2.33 5.02 -0.96 -4.31 118.16 116.31 3jyi n LYS 111 Ca 0.14 -2.39 -0.07 0.00 -2.02 0.00 0.00 58.31 53.96 3jyi n LYS 111 Cb 0.88 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 34.40 3jyi n LYS 111 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jyi n HIS 112 N 1.48 1.56 -0.09 2.13 8.25 -0.89 -4.88 115.22 122.78 3jyi n HIS 112 Ca 0.22 -2.42 -0.14 0.00 -0.26 0.00 0.00 57.72 55.13 3jyi n HIS 112 Cb 0.58 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 3jyi n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3jyi h LEU 113 N 2.67 0.98 0.01 2.41 3.38 -1.75 -1.31 115.31 121.70 3jyi h LEU 113 Ca -0.04 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.31 3jyi h LEU 113 Cb 1.25 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.73 3jyi h LEU 113 CO 0.39 1.29 -0.51 0.71 0.09 0.00 0.00 178.44 180.42 3jyi h THR 114 N 0.71 1.47 0.00 0.22 1.35 -1.90 -3.38 112.91 111.38 3jyi h THR 114 Ca 0.04 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 3jyi h THR 114 Cb 1.08 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3jyi h THR 114 CO 0.11 0.59 -1.14 -0.90 -0.25 0.00 0.00 175.52 173.93 3jyi n ASP 115 N -4.30 0.68 -0.53 5.36 5.75 -1.25 -5.04 116.55 117.22 3jyi n ASP 115 Ca -0.10 -0.55 0.01 0.00 -0.01 0.00 0.00 54.79 54.13 3jyi n ASP 115 Cb 0.63 1.06 -0.00 0.00 -1.03 0.00 0.00 41.12 41.78 3jyi n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jyi n GLY 116 N 1.42 -1.57 3.13 6.12 0.00 -0.49 -4.93 105.19 108.88 3jyi n GLY 116 Ca 0.02 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 3jyi n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jyi s MET 117 N -0.17 0.58 0.63 1.61 -1.94 -0.39 -4.88 119.30 114.74 3jyi s MET 117 Ca 0.00 -0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 53.30 3jyi s MET 117 Cb 0.00 0.24 -0.00 0.00 2.01 0.00 0.00 34.83 37.07 3jyi s MET 117 CO 0.00 -0.15 1.00 0.95 -0.01 0.00 0.00 175.02 176.80 3jyi s THR 118 N -2.16 3.93 0.27 2.05 -4.23 -1.26 -0.35 115.64 113.90 3jyi s THR 118 Ca -0.08 0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3jyi s THR 118 Cb -0.03 -3.59 0.27 0.00 1.34 0.00 0.00 72.50 70.48 3jyi s THR 118 CO -0.02 -0.71 1.91 0.58 -0.54 0.00 0.00 174.62 175.84 3jyi h VAL 119 N -0.36 1.14 -0.06 2.29 2.07 -1.10 -0.44 116.25 119.80 3jyi h VAL 119 Ca -0.45 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3jyi h VAL 119 Cb 1.24 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3jyi h VAL 119 CO 0.62 0.22 -0.21 -0.09 0.02 0.00 0.00 177.57 178.14 3jyi h ARG 120 N 1.20 -0.29 0.00 1.57 2.43 -1.43 -1.32 114.38 116.54 3jyi h ARG 120 Ca 0.39 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.53 3jyi h ARG 120 Cb 0.05 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3jyi h ARG 120 CO -0.13 -0.19 -0.24 0.93 -1.51 0.00 0.00 179.97 178.83 3jyi h GLU 121 N -0.30 0.00 -0.08 0.20 5.08 -1.62 -1.60 114.58 116.26 3jyi h GLU 121 Ca 0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 3jyi h GLU 121 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 3jyi h GLU 121 CO -0.24 0.24 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.31 3jyi h LEU 122 N 0.00 0.69 -0.65 1.33 4.07 -0.76 -1.38 115.31 118.62 3jyi h LEU 122 Ca -0.00 -0.68 -0.11 0.00 0.08 0.00 0.00 57.88 57.17 3jyi h LEU 122 Cb 0.47 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3jyi h LEU 122 CO 0.03 1.26 -0.15 0.00 -1.08 0.00 0.00 178.44 178.51 3jyi h SER 124 N 0.80 0.45 -0.04 0.00 0.87 -1.32 -1.89 113.55 112.42 3jyi h SER 124 Ca 0.12 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 3jyi h SER 124 Cb 0.68 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3jyi h SER 124 CO 0.05 0.41 -0.27 0.00 -0.53 0.00 0.00 176.83 176.49 3jyi h ALA 125 N 1.06 1.08 0.10 6.23 0.00 -0.84 0.13 119.26 127.02 3jyi h ALA 125 Ca 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3jyi h ALA 125 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3jyi h ALA 125 CO -0.02 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 3jyi h ALA 126 N 1.30 -0.14 -0.04 0.00 0.00 -0.60 -1.69 119.26 118.09 3jyi h ALA 126 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3jyi h ALA 126 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3jyi h ALA 126 CO 0.05 -0.36 -0.30 0.82 0.00 0.00 0.00 179.25 179.46 3jyi h ILE 127 N -0.57 1.47 -0.00 0.00 2.04 -1.36 -0.94 117.51 118.14 3jyi h ILE 127 Ca -0.01 -1.80 -0.25 0.00 1.00 0.00 0.00 64.86 63.79 3jyi h ILE 127 Cb 0.46 2.49 0.02 0.00 -0.74 0.00 0.00 36.82 39.05 3jyi h ILE 127 CO 0.02 0.51 -1.01 0.74 0.00 0.00 0.00 178.15 178.41 3jyi h THR 128 N -0.29 1.32 -0.01 -0.27 2.02 -0.87 -3.34 112.91 111.47 3jyi h THR 128 Ca -0.03 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.85 3jyi h THR 128 Cb 0.99 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 3jyi h THR 128 CO 0.06 0.71 0.00 0.23 0.37 0.00 0.00 175.52 176.89 3jyi n MET 129 N -3.82 -0.20 -2.03 6.66 2.81 -0.81 -1.76 117.12 117.97 3jyi n MET 129 Ca -0.10 -0.82 -0.18 0.00 -1.81 0.00 0.00 57.70 54.79 3jyi n MET 129 Cb 0.87 -1.09 -0.04 0.00 -0.71 0.00 0.00 33.22 32.25 3jyi n MET 129 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3jyi n SER 130 N 0.23 -5.14 -4.68 7.83 2.88 -0.36 -4.90 113.62 109.47 3jyi n SER 130 Ca 0.03 0.22 -0.50 0.00 -1.33 0.00 0.00 58.87 57.29 3jyi n SER 130 Cb 0.12 -4.42 -0.05 0.00 -0.75 0.00 0.00 64.21 59.11 3jyi n SER 130 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3jyi n ASP 131 N -1.58 3.17 -0.02 -3.46 4.64 -0.70 -4.93 116.55 113.67 3jyi n ASP 131 Ca -0.20 1.01 -0.16 0.00 -1.38 0.00 0.00 54.79 54.05 3jyi n ASP 131 Cb 0.64 -1.33 -0.11 0.00 -1.04 0.00 0.00 41.12 39.28 3jyi n ASP 131 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 3jyi h ASN 132 N 8.43 0.37 -0.87 1.67 2.35 -1.66 -2.88 115.58 123.00 3jyi h ASN 132 Ca -0.48 -0.75 0.03 0.00 -0.55 0.00 0.00 56.30 54.56 3jyi h ASN 132 Cb 1.28 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 3jyi h ASN 132 CO 0.94 1.06 0.56 0.74 -1.65 0.00 0.00 177.43 179.08 3jyi h THR 133 N -0.30 1.14 -0.65 2.81 2.02 -1.85 -1.79 112.91 114.29 3jyi h THR 133 Ca -0.04 -0.37 0.10 0.00 0.77 0.00 0.00 66.41 66.86 3jyi h THR 133 Cb 1.11 -0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 3jyi h THR 133 CO 0.08 0.20 0.26 0.00 0.37 0.00 0.00 175.52 176.42 3jyi h ALA 134 N 1.36 0.86 -0.45 6.16 0.00 -1.90 -0.11 119.26 125.17 3jyi h ALA 134 Ca 0.35 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3jyi h ALA 134 Cb 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3jyi h ALA 134 CO -0.12 -0.17 0.04 0.00 0.00 0.00 0.00 179.25 179.00 3jyi h ALA 135 N 1.44 0.61 0.25 0.00 0.00 -1.16 -2.36 119.26 118.03 3jyi h ALA 135 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3jyi h ALA 135 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jyi h ALA 135 CO -0.31 0.36 -0.12 -0.91 0.00 0.00 0.00 179.25 178.27 3jyi h ASN 136 N 0.63 -0.28 -0.89 0.00 2.35 -0.68 -0.01 115.58 116.71 3jyi h ASN 136 Ca 0.13 0.01 0.22 0.00 -0.55 0.00 0.00 56.30 56.11 3jyi h ASN 136 Cb 0.44 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.75 3jyi h ASN 136 CO 0.02 -0.20 0.37 -0.07 -1.65 0.00 0.00 177.43 175.90 3jyi h LEU 137 N -0.33 0.29 -0.62 1.61 4.07 -1.01 0.80 115.31 120.12 3jyi h LEU 137 Ca -0.03 0.16 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 3jyi h LEU 137 Cb 0.25 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3jyi h LEU 137 CO 0.06 -0.02 -0.54 -0.07 -1.08 0.00 0.00 178.44 176.78 3jyi h LEU 138 N 0.38 0.45 -0.48 1.67 3.38 -0.89 -2.19 115.31 117.63 3jyi h LEU 138 Ca 0.55 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3jyi h LEU 138 Cb 1.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3jyi h LEU 138 CO -0.54 0.91 0.21 -0.07 0.09 0.00 0.00 178.44 179.04 3jyi h LEU 139 N 0.32 0.65 -0.49 1.67 3.38 0.10 -2.27 115.31 118.67 3jyi h LEU 139 Ca 0.01 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3jyi h LEU 139 Cb 1.05 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3jyi h LEU 139 CO 0.09 0.62 0.12 0.74 0.09 0.00 0.00 178.44 180.11 3jyi h THR 140 N 0.64 0.76 -1.00 0.22 2.02 -0.96 0.47 112.91 115.06 3jyi h THR 140 Ca 0.16 -0.09 0.38 0.00 0.77 0.00 0.00 66.41 67.63 3jyi h THR 140 Cb 0.16 0.47 -0.17 0.00 -1.74 0.00 0.00 68.15 66.86 3jyi h THR 140 CO -0.02 0.05 0.49 0.74 0.37 0.00 0.00 175.52 177.16 3jyi h THR 141 N 0.27 0.07 -0.03 3.16 2.02 -0.79 -2.25 112.91 115.36 3jyi h THR 141 Ca 0.24 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3jyi h THR 141 Cb 0.30 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3jyi h THR 141 CO -0.29 0.01 0.00 2.30 0.37 0.00 0.00 175.52 177.91 3jyi n ILE 142 N -5.24 0.04 0.00 3.11 -5.35 -0.70 -4.97 119.36 106.26 3jyi n ILE 142 Ca 0.35 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3jyi n ILE 142 Cb 1.17 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 40.28 3jyi n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jyi n GLY 143 N 0.65 1.12 0.00 3.28 0.00 -0.60 -4.74 105.19 104.89 3jyi n GLY 143 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3jyi n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyi n GLY 144 N -1.82 -0.86 0.31 -0.02 0.00 0.15 -4.27 105.19 98.69 3jyi n GLY 144 Ca 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.47 3jyi n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jyi h PRO 145 N 0.00 0.32 -0.47 1.61 0.11 -1.86 0.02 132.00 131.75 3jyi h PRO 145 Ca 0.00 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.16 3jyi h PRO 145 Cb 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 3jyi h PRO 145 CO 0.00 0.21 0.31 0.87 -0.21 0.00 0.00 178.00 179.19 3jyi h LYS 146 N 0.33 0.35 0.17 1.05 1.57 -1.80 -1.76 116.57 116.48 3jyi h LYS 146 Ca 0.56 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 59.02 3jyi h LYS 146 Cb 1.08 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.33 3jyi h LYS 146 CO -0.56 0.23 -1.36 0.93 -0.57 0.00 0.00 179.45 178.11 3jyi h GLU 147 N 0.36 0.36 -0.47 3.15 4.39 -1.17 -1.90 114.58 119.30 3jyi h GLU 147 Ca 0.21 -0.62 0.06 0.00 0.34 0.00 0.00 59.36 59.34 3jyi h GLU 147 Cb 0.36 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 3jyi h GLU 147 CO -0.05 1.29 0.18 1.25 -1.16 0.00 0.00 179.01 180.52 3jyi h LEU 148 N 0.10 0.21 -1.14 1.33 6.46 -1.28 0.45 115.31 121.44 3jyi h LEU 148 Ca -0.19 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3jyi h LEU 148 Cb 2.05 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.96 3jyi h LEU 148 CO 0.22 0.15 0.43 0.74 -0.62 0.00 0.00 178.44 179.36 3jyi h THR 149 N 0.37 1.22 -0.43 1.05 2.02 -1.29 -1.86 112.91 113.97 3jyi h THR 149 Ca 0.22 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3jyi h THR 149 Cb 0.20 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3jyi h THR 149 CO -0.21 0.23 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 3jyi h ALA 150 N 1.44 0.58 -0.69 6.16 0.00 -0.70 -2.24 119.26 123.81 3jyi h ALA 150 Ca 0.27 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jyi h ALA 150 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3jyi h ALA 150 CO -0.05 0.39 0.44 0.35 0.00 0.00 0.00 179.25 180.38 3jyi h PHE 151 N 0.61 0.83 -0.50 0.00 3.57 -0.47 -1.72 116.94 119.26 3jyi h PHE 151 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3jyi h PHE 151 Cb 0.51 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3jyi h PHE 151 CO 0.04 0.49 0.28 -0.07 -2.23 0.00 0.00 178.31 176.83 3jyi h LEU 152 N 0.88 0.61 -0.69 0.59 4.07 -1.20 -2.80 115.31 116.76 3jyi h LEU 152 Ca 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 3jyi h LEU 152 Cb -0.03 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 3jyi h LEU 152 CO -0.09 0.51 0.35 -0.74 -1.08 0.00 0.00 178.44 177.39 3jyi h HIS 153 N 0.66 0.99 0.00 1.13 2.76 -1.10 -1.79 115.15 117.79 3jyi h HIS 153 Ca 0.18 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3jyi h HIS 153 Cb 0.02 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.67 3jyi h HIS 153 CO -0.02 0.73 0.00 0.09 -1.30 0.00 0.00 177.93 177.42 3jyi n ASN 154 N -4.46 0.60 -0.88 3.26 3.02 -0.68 -1.63 115.26 114.50 3jyi n ASN 154 Ca 0.06 0.68 0.09 0.00 -0.03 0.00 0.00 54.58 55.37 3jyi n ASN 154 Cb 0.12 -0.79 0.18 0.00 -0.61 0.00 0.00 39.78 38.68 3jyi n ASN 154 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3jyi n MET 155 N -2.19 2.31 0.00 3.52 0.00 -0.99 -4.97 117.12 114.80 3jyi n MET 155 Ca 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 57.70 55.65 3jyi n MET 155 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.01 3jyi n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3jyi n GLY 156 N 1.03 0.87 3.36 3.17 0.00 -0.64 -5.05 105.19 107.93 3jyi n GLY 156 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3jyi n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyi s ASP 157 N -2.26 6.19 -0.23 1.61 -1.08 -0.71 -4.90 116.67 115.28 3jyi s ASP 157 Ca 0.00 -1.48 0.12 0.00 -0.52 0.00 0.00 52.55 50.67 3jyi s ASP 157 Cb 0.00 -2.25 0.74 0.00 -1.46 0.00 0.00 42.92 39.94 3jyi s ASP 157 CO 0.00 -0.95 1.65 1.41 0.52 0.00 0.00 175.17 177.81 3jyi n HIS 158 N 5.81 1.98 0.00 -5.34 8.25 -1.26 -3.09 115.22 121.57 3jyi n HIS 158 Ca -0.11 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 3jyi n HIS 158 Cb 0.42 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3jyi n HIS 158 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3jyi n VAL 159 N 0.43 0.03 -2.04 1.59 0.31 -1.26 -5.03 118.33 112.36 3jyi n VAL 159 Ca 0.28 0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 64.22 3jyi n VAL 159 Cb 1.16 -1.46 -0.01 0.00 -0.91 0.00 0.00 33.84 32.62 3jyi n VAL 159 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3jyi s THR 160 N -2.00 2.58 -0.25 2.52 2.01 -1.26 -4.75 115.64 114.49 3jyi s THR 160 Ca 0.00 0.53 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 3jyi s THR 160 Cb 0.00 -3.32 0.08 0.00 0.01 0.00 0.00 72.50 69.26 3jyi s THR 160 CO 0.00 0.09 0.61 0.00 -0.69 0.00 0.00 174.62 174.63 3jyi s ARG 161 N -2.16 0.61 -0.09 4.92 1.70 -1.00 -4.89 118.95 118.05 3jyi s ARG 161 Ca 0.55 1.11 0.00 0.00 -0.47 0.00 0.00 55.73 56.92 3jyi s ARG 161 Cb -0.39 0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.07 3jyi s ARG 161 CO 0.51 -0.15 -0.07 -1.17 -1.08 0.00 0.00 175.30 173.33 3jyi s LEU 162 N 1.61 3.13 0.00 -1.89 2.96 -1.26 -2.90 118.68 120.32 3jyi s LEU 162 Ca -0.10 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3jyi s LEU 162 Cb -0.06 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3jyi s LEU 162 CO -0.18 0.31 0.00 0.47 -1.32 0.00 0.00 176.35 175.64 3jyi n ASP 163 N 2.54 3.04 -4.66 3.68 8.00 -1.26 -4.24 116.55 123.66 3jyi n ASP 163 Ca -0.18 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.01 3jyi n ASP 163 Cb 0.53 0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.77 3jyi n ASP 163 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3jyi s ARG 164 N -1.65 2.11 0.53 -1.24 0.52 -1.26 -4.86 118.95 113.10 3jyi s ARG 164 Ca 0.00 -2.32 0.07 0.00 -0.52 0.00 0.00 55.73 52.97 3jyi s ARG 164 Cb 0.00 -1.43 0.07 0.00 0.52 0.00 0.00 34.95 34.11 3jyi s ARG 164 CO 0.00 -0.32 0.61 0.91 0.02 0.00 0.00 175.30 176.52 3jyi n TRP 165 N -1.16 -1.69 -2.93 -0.53 7.02 -1.26 -4.72 117.44 112.16 3jyi n TRP 165 Ca -0.15 -2.04 -0.39 0.00 -1.02 0.00 0.00 57.50 53.90 3jyi n TRP 165 Cb 0.67 -0.48 -0.06 0.00 -2.42 0.00 0.00 31.31 29.02 3jyi n TRP 165 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3jyi s GLU 166 N -4.31 4.60 0.00 -0.99 0.41 -1.26 -1.61 118.70 115.54 3jyi s GLU 166 Ca 0.46 1.21 0.27 0.00 -0.41 0.00 0.00 54.97 56.49 3jyi s GLU 166 Cb -0.04 -3.21 0.74 0.00 -1.78 0.00 0.00 34.13 29.85 3jyi s GLU 166 CO 0.29 0.53 1.57 -2.30 -0.49 0.00 0.00 175.26 174.87 3jyi n PRO 167 N 1.45 1.82 0.00 0.39 -0.02 -1.26 -4.94 135.00 132.43 3jyi n PRO 167 Ca -0.04 -1.24 0.11 0.00 -2.02 0.00 0.00 63.50 60.31 3jyi n PRO 167 Cb 0.49 -1.47 0.51 0.00 -0.02 0.00 0.00 33.50 33.01 3jyi n PRO 167 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3jyi n GLU 168 N 0.49 0.13 0.00 -0.52 0.00 -0.87 -3.05 120.64 116.81 3jyi n GLU 168 Ca 0.17 0.10 0.10 0.00 0.00 0.00 0.00 57.16 57.53 3jyi n GLU 168 Cb 0.43 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 30.85 3jyi n GLU 168 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3jyi n LEU 169 N -1.42 0.00 -2.19 -1.84 -0.00 -0.63 -3.36 117.00 107.56 3jyi n LEU 169 Ca 0.08 0.36 -0.30 0.00 -0.00 0.00 0.00 56.01 56.15 3jyi n LEU 169 Cb 0.23 -0.36 0.06 0.00 -0.00 0.00 0.00 43.42 43.35 3jyi n LEU 169 CO 0.19 -0.12 0.97 0.61 -0.00 0.00 0.00 177.39 179.05 3jyi n GLY 170 N 0.46 6.04 0.09 1.47 0.00 -1.17 -4.62 105.19 107.46 3jyi n GLY 170 Ca 0.08 -2.41 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 3jyi n GLY 170 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jyi h GLU 171 N 2.04 0.07 -6.21 1.61 4.81 -1.82 -0.56 114.58 114.51 3jyi h GLU 171 Ca 0.52 -0.12 -0.46 0.00 -0.13 0.00 0.00 59.36 59.17 3jyi h GLU 171 Cb 1.12 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3jyi h GLU 171 CO 1.26 0.77 -0.76 0.00 -0.73 0.00 0.00 179.01 179.55 3jyi n ALA 172 N -2.58 -1.41 -1.69 2.92 0.00 -1.26 -4.60 120.51 111.88 3jyi n ALA 172 Ca -0.15 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 3jyi n ALA 172 Cb 1.03 -4.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.24 3jyi n ALA 172 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3jyi n ILE 173 N -4.66 0.44 -1.66 0.00 5.41 -1.26 -4.88 119.36 112.75 3jyi n ILE 173 Ca -0.02 -0.11 -0.45 0.00 1.00 0.00 0.00 62.75 63.17 3jyi n ILE 173 Cb 0.55 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 3jyi n ILE 173 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jyi n PRO 174 N 2.90 1.90 0.00 0.38 -0.02 -1.26 -1.51 135.00 137.38 3jyi n PRO 174 Ca 0.14 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3jyi n PRO 174 Cb 0.32 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3jyi n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3jyi n ASN 175 N 2.18 0.00 -4.66 2.55 3.02 -1.26 -4.97 115.26 112.11 3jyi n ASN 175 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3jyi n ASN 175 Cb 0.30 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3jyi n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jyi s ASP 176 N -2.25 6.68 0.00 6.41 -1.08 -0.57 -4.90 116.67 120.97 3jyi s ASP 176 Ca 0.00 2.23 0.28 0.00 -0.52 0.00 0.00 52.55 54.53 3jyi s ASP 176 Cb 0.00 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.93 3jyi s ASP 176 CO 0.00 -0.91 1.72 -0.62 0.52 0.00 0.00 175.17 175.88 3jyi n GLU 177 N 6.96 1.03 -2.00 4.34 1.02 -1.26 -4.83 120.64 125.90 3jyi n GLU 177 Ca 0.17 -0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 56.37 3jyi n GLU 177 Cb 0.43 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 3jyi n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3jyi s ARG 178 N -2.34 4.26 -1.10 3.49 0.52 -1.26 -3.44 118.95 119.08 3jyi s ARG 178 Ca 0.30 2.33 -0.05 0.00 -0.52 0.00 0.00 55.73 57.79 3jyi s ARG 178 Cb 0.20 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.60 3jyi s ARG 178 CO 0.45 -0.38 0.70 -0.25 0.02 0.00 0.00 175.30 175.85 3jyi n ASP 179 N 1.57 -5.21 -4.52 0.23 8.00 -1.14 -4.92 116.55 110.56 3jyi n ASP 179 Ca 0.04 -0.32 -0.25 0.00 0.71 0.00 0.00 54.79 54.96 3jyi n ASP 179 Cb 0.40 -3.92 -0.10 0.00 -0.02 0.00 0.00 41.12 37.48 3jyi n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3jyi s THR 180 N -3.14 2.28 0.31 -3.53 -4.23 -1.15 -1.61 115.64 104.57 3jyi s THR 180 Ca 0.35 -2.26 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3jyi s THR 180 Cb -0.15 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 3jyi s THR 180 CO 0.43 -0.27 0.34 0.28 -0.54 0.00 0.00 174.62 174.87 3jyi s THR 181 N -2.60 0.00 0.08 3.99 -1.32 -0.69 -2.37 115.64 112.73 3jyi s THR 181 Ca 0.32 -1.81 0.05 0.00 -1.21 0.00 0.00 61.69 59.04 3jyi s THR 181 Cb 0.00 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 3jyi s THR 181 CO 0.16 0.00 -0.06 -0.04 -2.21 0.00 0.00 174.62 172.47 3jyi s MET 182 N -3.44 2.36 0.23 7.08 -1.94 -1.26 -1.40 119.30 120.93 3jyi s MET 182 Ca 0.36 -0.90 -0.06 0.00 -1.71 0.00 0.00 55.69 53.37 3jyi s MET 182 Cb 0.02 -2.43 0.38 0.00 2.01 0.00 0.00 34.83 34.81 3jyi s MET 182 CO 0.21 0.54 1.75 -1.35 -0.01 0.00 0.00 175.02 176.16 3jyi h PRO 183 N 3.74 0.46 -0.86 2.03 0.11 -1.70 -1.00 132.00 134.78 3jyi h PRO 183 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jyi h PRO 183 Cb 1.17 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3jyi h PRO 183 CO 0.55 0.30 0.56 0.00 -0.21 0.00 0.00 178.00 179.20 3jyi h ALA 184 N 1.48 1.09 0.18 -0.75 0.00 -1.43 -2.49 119.26 117.33 3jyi h ALA 184 Ca 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3jyi h ALA 184 Cb 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jyi h ALA 184 CO -0.34 0.51 -0.09 0.00 0.00 0.00 0.00 179.25 179.33 3jyi h ALA 185 N 1.30 -0.24 -0.92 0.00 0.00 -1.59 -2.05 119.26 115.77 3jyi h ALA 185 Ca 0.31 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3jyi h ALA 185 Cb -0.11 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 3jyi h ALA 185 CO -0.07 -0.39 0.50 1.98 0.00 0.00 0.00 179.25 181.27 3jyi h MET 186 N -0.72 0.63 -0.02 0.00 -1.53 -1.18 0.18 114.93 112.29 3jyi h MET 186 Ca -0.02 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.19 3jyi h MET 186 Cb 0.50 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.41 3jyi h MET 186 CO 0.04 0.41 -0.02 0.00 0.14 0.00 0.00 176.91 177.48 3jyi h ALA 187 N 1.62 0.03 -0.70 0.39 0.00 -1.47 0.26 119.26 119.38 3jyi h ALA 187 Ca 0.52 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3jyi h ALA 187 Cb 0.81 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3jyi h ALA 187 CO -0.40 -0.20 0.46 1.15 0.00 0.00 0.00 179.25 180.27 3jyi h THR 188 N -0.45 1.13 -0.01 0.00 2.02 -0.75 -1.46 112.91 113.40 3jyi h THR 188 Ca 0.00 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3jyi h THR 188 Cb 0.54 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3jyi h THR 188 CO 0.01 0.16 -0.02 0.74 0.37 0.00 0.00 175.52 176.77 3jyi h THR 189 N 0.88 1.50 -0.72 3.16 2.02 -0.54 -2.49 112.91 116.73 3jyi h THR 189 Ca 0.27 -1.51 0.13 0.00 0.77 0.00 0.00 66.41 66.08 3jyi h THR 189 Cb -0.00 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 3jyi h THR 189 CO -0.07 0.39 0.48 0.25 0.37 0.00 0.00 175.52 176.94 3jyi h LEU 190 N -0.59 0.42 -0.26 2.58 5.85 -0.24 -1.49 115.31 121.57 3jyi h LEU 190 Ca -0.00 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3jyi h LEU 190 Cb 0.66 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3jyi h LEU 190 CO 0.01 0.23 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.08 3jyi h ARG 191 N 0.45 0.58 -0.76 1.25 2.43 -1.22 -1.25 114.38 115.86 3jyi h ARG 191 Ca 0.35 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3jyi h ARG 191 Cb 0.72 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 3jyi h ARG 191 CO -0.11 0.85 0.42 0.87 -1.51 0.00 0.00 179.97 180.49 3jyi h LYS 192 N 0.31 1.06 -0.40 0.20 1.57 -0.83 -0.18 116.57 118.29 3jyi h LYS 192 Ca 0.05 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3jyi h LYS 192 Cb 0.70 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3jyi h LYS 192 CO 0.05 0.77 0.08 -0.07 -0.57 0.00 0.00 179.45 179.70 3jyi h LEU 193 N 1.06 0.63 0.00 2.94 4.07 -1.26 -0.65 115.31 122.10 3jyi h LEU 193 Ca 0.27 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3jyi h LEU 193 Cb 0.02 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.59 3jyi h LEU 193 CO -0.04 0.72 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.52 3jyi h LEU 194 N 0.52 0.00 0.00 1.67 3.38 -0.80 -3.41 115.31 116.66 3jyi h LEU 194 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3jyi h LEU 194 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jyi h LEU 194 CO 0.01 0.04 -0.27 0.41 0.09 0.00 0.00 178.44 178.72 3jyi n THR 195 N -2.46 0.00 -1.37 0.22 -1.04 -0.12 -4.90 114.28 104.62 3jyi n THR 195 Ca 0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 3jyi n THR 195 Cb 0.48 -0.25 0.06 0.00 -1.82 0.00 0.00 70.33 68.80 3jyi n THR 195 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jyi n GLY 196 N 1.14 -1.05 0.79 3.41 0.00 -0.25 -4.95 105.19 104.29 3jyi n GLY 196 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.38 3jyi n GLY 196 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3jyi n GLU 197 N -1.78 2.00 -0.00 1.61 4.07 -1.26 -4.34 120.64 120.93 3jyi n GLU 197 Ca 0.05 -1.55 -0.12 0.00 -0.06 0.00 0.00 57.16 55.48 3jyi n GLU 197 Cb 0.17 -1.34 -0.08 0.00 -0.06 0.00 0.00 31.44 30.13 3jyi n GLU 197 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3jyi h LEU 198 N 2.52 0.07-10.00 4.31 5.85 -1.92 -3.43 115.31 112.72 3jyi h LEU 198 Ca 0.00 -0.25 -0.51 0.00 0.84 0.00 0.00 57.88 57.96 3jyi h LEU 198 Cb 0.58 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3jyi h LEU 198 CO 0.00 0.30 -0.49 -0.76 -0.34 0.00 0.00 178.44 177.15 3jyi s LEU 199 N -9.69 4.09 0.77 2.25 1.02 -1.26 -4.98 118.68 110.88 3jyi s LEU 199 Ca -0.14 -0.03 -0.12 0.00 0.02 0.00 0.00 54.13 53.86 3jyi s LEU 199 Cb 0.04 -2.65 0.06 0.00 0.02 0.00 0.00 46.19 43.66 3jyi s LEU 199 CO 0.68 -0.01 1.11 0.42 0.02 0.00 0.00 176.35 178.57 3jyi s THR 200 N -1.92 3.09 0.36 5.49 -4.23 -1.26 -4.73 115.64 112.44 3jyi s THR 200 Ca 0.33 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 3jyi s THR 200 Cb -0.09 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.10 3jyi s THR 200 CO 0.27 -0.43 1.92 0.17 -0.54 0.00 0.00 174.62 176.01 3jyi h LEU 201 N -0.95 0.48 -1.55 4.79 8.10 -1.97 0.13 115.31 124.33 3jyi h LEU 201 Ca -0.44 -0.07 0.01 0.00 0.11 0.00 0.00 57.88 57.48 3jyi h LEU 201 Cb 1.24 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 41.32 3jyi h LEU 201 CO 0.50 0.50 0.31 0.00 -4.11 0.00 0.00 178.44 175.64 3jyi h ALA 202 N 1.57 1.68 0.09 0.17 0.00 -1.99 -0.01 119.26 120.76 3jyi h ALA 202 Ca 0.12 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 3jyi h ALA 202 Cb 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.86 3jyi h ALA 202 CO 0.00 0.30 -0.96 0.77 0.00 0.00 0.00 179.25 179.36 3jyi h SER 203 N 0.62 0.69 -0.57 0.00 0.02 -1.48 -1.78 113.55 111.05 3jyi h SER 203 Ca 0.17 -0.84 0.08 0.00 -0.84 0.00 0.00 61.79 60.37 3jyi h SER 203 Cb -0.06 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.20 3jyi h SER 203 CO -0.04 1.45 0.21 0.03 -1.14 0.00 0.00 176.83 177.34 3jyi h ARG 204 N 0.01 0.37 -0.59 3.45 3.08 -0.55 -0.56 114.38 119.60 3jyi h ARG 204 Ca -0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3jyi h ARG 204 Cb 1.68 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.62 3jyi h ARG 204 CO 0.18 0.25 0.24 0.37 -1.07 0.00 0.00 179.97 179.94 3jyi h GLN 205 N 0.39 0.88 -0.50 0.04 5.75 -1.01 -2.22 115.11 118.43 3jyi h GLN 205 Ca 0.28 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3jyi h GLN 205 Cb 0.33 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3jyi h GLN 205 CO -0.28 0.75 0.07 0.37 -2.65 0.00 0.00 178.83 177.09 3jyi h GLN 206 N 0.81 0.84 0.17 1.69 5.75 -0.77 0.83 115.11 124.43 3jyi h GLN 206 Ca 0.20 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3jyi h GLN 206 Cb 0.20 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3jyi h GLN 206 CO -0.02 0.84 -0.32 1.25 -2.65 0.00 0.00 178.83 177.93 3jyi h LEU 207 N 0.71 -0.91 -1.03 -2.39 5.85 -0.95 -1.71 115.31 114.87 3jyi h LEU 207 Ca 0.15 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 3jyi h LEU 207 Cb 0.41 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3jyi h LEU 207 CO 0.01 -0.42 -0.17 -0.29 -0.34 0.00 0.00 178.44 177.23 3jyi h ILE 208 N -0.58 1.24 -0.48 4.05 2.10 -1.29 -2.16 117.51 120.39 3jyi h ILE 208 Ca 0.02 -1.10 -0.00 0.00 1.08 0.00 0.00 64.86 64.85 3jyi h ILE 208 Cb 0.59 1.21 -0.02 0.00 -1.09 0.00 0.00 36.82 37.50 3jyi h ILE 208 CO -0.16 0.36 0.28 0.44 -1.08 0.00 0.00 178.15 177.99 3jyi h ASP 209 N 0.45 0.58 -0.16 2.19 3.32 -0.53 0.05 116.42 122.32 3jyi h ASP 209 Ca 0.08 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3jyi h ASP 209 Cb 0.55 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3jyi h ASP 209 CO 0.04 0.45 -0.32 -0.50 -1.72 0.00 0.00 179.24 177.19 3jyi h TRP 210 N 0.66 0.62 -0.39 4.55 6.55 -0.69 -2.59 115.95 124.66 3jyi h TRP 210 Ca 0.17 -0.23 -0.02 0.00 0.95 0.00 0.00 58.89 59.77 3jyi h TRP 210 Cb -0.01 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 3jyi h TRP 210 CO 0.00 0.95 0.17 0.52 -1.05 0.00 0.00 178.44 179.03 3jyi h MET 211 N 0.12 0.58 -0.63 0.49 2.86 -0.99 -1.82 114.93 115.54 3jyi h MET 211 Ca 0.00 -0.10 0.14 0.00 -2.06 0.00 0.00 59.70 57.69 3jyi h MET 211 Cb 0.92 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3jyi h MET 211 CO 0.07 0.54 0.43 1.49 1.06 0.00 0.00 176.91 180.50 3jyi h GLU 212 N 0.49 0.22 -0.16 1.72 4.81 -0.99 -0.62 114.58 120.05 3jyi h GLU 212 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3jyi h GLU 212 Cb 0.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3jyi h GLU 212 CO -0.01 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.41 3jyi n ALA 213 N -2.58 2.50 -1.56 2.92 0.00 -0.69 -4.88 120.51 116.22 3jyi n ALA 213 Ca 0.12 -0.32 -0.57 0.00 0.00 0.00 0.00 53.44 52.67 3jyi n ALA 213 Cb 0.54 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 3jyi n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3jyi n ASP 214 N -0.04 1.98 0.05 0.00 4.64 -0.26 -4.86 116.55 118.07 3jyi n ASP 214 Ca 0.08 0.82 0.11 0.00 -1.38 0.00 0.00 54.79 54.42 3jyi n ASP 214 Cb 0.16 -1.12 -0.01 0.00 -1.04 0.00 0.00 41.12 39.11 3jyi n ASP 214 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3jyi n LYS 215 N 6.51 0.47 0.00 -0.67 4.76 -0.72 -4.87 118.16 123.64 3jyi n LYS 215 Ca 0.36 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 3jyi n LYS 215 Cb 0.12 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 3jyi n LYS 215 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3jyi n VAL 216 N -2.28 0.00 -0.85 -0.18 0.31 -1.23 -4.66 118.33 109.43 3jyi n VAL 216 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3jyi n VAL 216 Cb 0.50 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 3jyi n VAL 216 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3jyi n ALA 217 N -3.00 0.00 -0.10 3.52 0.00 -1.26 -4.86 120.51 114.81 3jyi n ALA 217 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3jyi n ALA 217 Cb 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.11 3jyi n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jyi h GLY 218 N 0.00 0.27 1.92 0.00 0.00 -1.91 -2.30 103.07 101.05 3jyi h GLY 218 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3jyi h GLY 218 CO 0.00 -0.13 0.00 -1.05 0.00 0.00 0.00 176.54 175.36 3jyi n PRO 219 N -5.27 0.03 0.00 4.80 -0.02 -1.26 -2.85 135.00 130.43 3jyi n PRO 219 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3jyi n PRO 219 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3jyi n PRO 219 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jyi n LEU 220 N -1.46 0.00 -0.18 2.45 4.32 -0.86 -4.54 117.00 116.72 3jyi n LEU 220 Ca 0.03 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.19 3jyi n LEU 220 Cb 0.13 0.00 0.52 0.00 -1.62 0.00 0.00 43.42 42.45 3jyi n LEU 220 CO 0.10 0.00 1.21 -0.07 -1.22 0.00 0.00 177.39 177.42 3jyi h LEU 221 N 0.00 0.37 -1.64 2.23 4.07 -1.84 -2.51 115.31 115.98 3jyi h LEU 221 Ca 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 3jyi h LEU 221 Cb 0.00 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3jyi h LEU 221 CO 0.00 0.18 0.01 0.03 -1.08 0.00 0.00 178.44 177.58 3jyi h ARG 222 N 0.39 0.23 0.00 1.13 3.08 -1.76 -2.18 114.38 115.26 3jyi h ARG 222 Ca 0.40 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3jyi h ARG 222 Cb 0.97 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3jyi h ARG 222 CO -0.13 0.25 0.00 -1.13 -1.07 0.00 0.00 179.97 177.89 3jyi n SER 223 N -4.41 0.00 -0.50 7.04 3.41 -0.95 -2.17 113.62 116.04 3jyi n SER 223 Ca -0.01 -0.02 0.05 0.00 -0.26 0.00 0.00 58.87 58.64 3jyi n SER 223 Cb 0.16 -0.29 0.10 0.00 -0.26 0.00 0.00 64.21 63.92 3jyi n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyi n ALA 224 N -1.29 2.27 -2.71 7.33 0.00 -0.83 -4.99 120.51 120.30 3jyi n ALA 224 Ca 0.11 -0.93 -0.37 0.00 0.00 0.00 0.00 53.44 52.25 3jyi n ALA 224 Cb 0.18 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 3jyi n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3jyi s LEU 225 N -0.93 4.22 0.77 0.00 2.96 -0.92 -4.69 118.68 120.08 3jyi s LEU 225 Ca 0.17 0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 3jyi s LEU 225 Cb 0.10 -2.39 0.05 0.00 0.50 0.00 0.00 46.19 44.45 3jyi s LEU 225 CO 0.13 0.06 1.09 -2.84 -1.32 0.00 0.00 176.35 173.48 3jyi s PRO 226 N 0.67 2.33 0.44 0.98 0.02 -1.26 -5.02 135.00 133.17 3jyi s PRO 226 Ca 0.16 0.62 -0.24 0.00 0.02 0.00 0.00 61.00 61.57 3jyi s PRO 226 Cb -0.13 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 3jyi s PRO 226 CO 0.05 -1.44 1.23 0.00 -0.33 0.00 0.00 177.00 176.50 3jyi s ALA 227 N -3.19 3.06 0.00 -1.55 0.00 -1.26 -3.17 121.76 115.65 3jyi s ALA 227 Ca 0.60 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3jyi s ALA 227 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3jyi s ALA 227 CO 0.54 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3jyi n GLY 228 N 0.58 2.64 3.81 0.00 0.00 -1.26 -5.00 105.19 105.96 3jyi n GLY 228 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3jyi n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3jyi s TRP 229 N -2.70 3.71 0.09 1.61 0.52 -1.19 0.77 118.94 121.75 3jyi s TRP 229 Ca 0.00 1.37 -0.22 0.00 0.02 0.00 0.00 56.10 57.27 3jyi s TRP 229 Cb 0.00 -2.60 -0.07 0.00 -1.15 0.00 0.00 33.47 29.66 3jyi s TRP 229 CO 0.00 0.41 0.67 0.12 0.02 0.00 0.00 176.95 178.17 3jyi s PHE 230 N -1.39 3.81 -0.12 -1.98 5.36 0.11 -4.73 117.98 119.03 3jyi s PHE 230 Ca 0.39 1.41 -0.06 0.00 -0.96 0.00 0.00 56.93 57.71 3jyi s PHE 230 Cb -0.18 -2.65 0.05 0.00 -0.34 0.00 0.00 43.02 39.90 3jyi s PHE 230 CO 0.21 0.49 0.29 -1.50 -1.46 0.00 0.00 175.22 173.25 3jyi s ILE 231 N -0.84 -0.06 -0.13 3.12 2.07 -1.26 -1.34 121.20 122.75 3jyi s ILE 231 Ca 0.33 0.14 0.03 0.00 -1.41 0.00 0.00 60.65 59.73 3jyi s ILE 231 Cb -0.21 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 41.95 3jyi s ILE 231 CO 0.22 0.06 -0.21 0.00 -1.91 0.00 0.00 174.94 173.09 3jyi s ALA 232 N 1.37 2.15 0.19 1.50 0.00 0.44 -4.35 121.76 123.06 3jyi s ALA 232 Ca -0.09 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 3jyi s ALA 232 Cb -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.10 3jyi s ALA 232 CO -0.10 0.00 0.49 0.16 0.00 0.00 0.00 175.76 176.32 3jyi s ASP 233 N 0.78 -0.22 -0.08 0.00 -4.77 -1.11 -0.70 116.67 110.58 3jyi s ASP 233 Ca -0.08 -0.52 -0.03 0.00 -3.30 0.00 0.00 52.55 48.61 3jyi s ASP 233 Cb -0.16 0.56 0.04 0.00 -1.09 0.00 0.00 42.92 42.27 3jyi s ASP 233 CO -0.01 -1.03 0.16 -0.75 0.70 0.00 0.00 175.17 174.24 3jyi s LYS 234 N -3.88 0.07 0.38 2.11 2.47 -0.47 -4.69 119.74 115.73 3jyi s LYS 234 Ca 0.10 0.46 0.04 0.00 -1.56 0.00 0.00 55.97 55.01 3jyi s LYS 234 Cb -0.00 -0.21 -0.01 0.00 -1.46 0.00 0.00 37.83 36.15 3jyi s LYS 234 CO -0.03 -0.22 0.54 -1.54 0.16 0.00 0.00 175.35 174.26 3jyi s SER 235 N 1.63 5.91 -0.04 1.43 1.04 -1.26 -1.62 113.70 120.79 3jyi s SER 235 Ca -0.04 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 3jyi s SER 235 Cb -0.12 -1.32 0.01 0.00 0.10 0.00 0.00 66.02 64.69 3jyi s SER 235 CO -0.06 -0.54 0.14 -0.83 0.98 0.00 0.00 173.24 172.93 3jyi s GLY 236 N -4.19 -0.07 0.10 7.32 0.00 0.18 -3.86 107.32 106.80 3jyi s GLY 236 Ca 0.46 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.51 3jyi s GLY 236 CO 0.34 0.19 -0.17 0.00 0.00 0.00 0.00 173.10 173.46 3jyi s ALA 237 N -0.29 1.49 0.28 3.20 0.00 -1.26 -1.29 121.76 123.88 3jyi s ALA 237 Ca -0.04 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 3jyi s ALA 237 Cb -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3jyi s ALA 237 CO 0.00 0.22 0.44 0.41 0.00 0.00 0.00 175.76 176.84 3jyi n GLY 238 N 1.02 1.98 3.76 0.00 0.00 -0.50 -4.49 105.19 106.95 3jyi n GLY 238 Ca -0.19 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 3jyi n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jyi s GLU 239 N -2.42 1.84 -1.30 1.61 2.56 -0.22 -3.57 118.70 117.20 3jyi s GLU 239 Ca 0.19 0.89 -0.01 0.00 0.00 0.00 0.00 54.97 56.03 3jyi s GLU 239 Cb -0.02 -1.87 -0.00 0.00 2.00 0.00 0.00 34.13 34.24 3jyi s GLU 239 CO 0.13 -1.86 0.70 0.54 -0.56 0.00 0.00 175.26 174.21 3jyi n ARG 240 N -3.63 -4.66 -1.54 4.30 1.74 -1.26 -2.46 116.66 109.15 3jyi n ARG 240 Ca 0.08 0.61 -0.19 0.00 -0.77 0.00 0.00 57.85 57.58 3jyi n ARG 240 Cb 0.55 -5.13 -0.08 0.00 -1.02 0.00 0.00 32.46 26.78 3jyi n ARG 240 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jyi n GLY 241 N -1.58 1.79 3.74 -0.13 0.00 -1.17 -0.89 105.19 106.94 3jyi n GLY 241 Ca -0.29 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3jyi n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyi s SER 242 N -2.71 6.93 -0.03 1.61 0.01 -1.03 -4.31 113.70 114.17 3jyi s SER 242 Ca 0.00 2.39 -0.27 0.00 1.31 0.00 0.00 55.95 59.38 3jyi s SER 242 Cb 0.00 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.68 3jyi s SER 242 CO 0.00 -0.49 0.58 -0.60 0.41 0.00 0.00 173.24 173.15 3jyi s ARG 243 N -0.30 0.97 0.02 12.44 6.06 0.01 -1.42 118.95 136.73 3jyi s ARG 243 Ca 0.55 0.11 -0.28 0.00 -2.50 0.00 0.00 55.73 53.61 3jyi s ARG 243 Cb -0.36 0.45 0.10 0.00 0.06 0.00 0.00 34.95 35.21 3jyi s ARG 243 CO 0.39 -0.30 1.23 0.20 -2.50 0.00 0.00 175.30 174.32 3jyi s GLY 244 N -1.30 -0.26 -0.24 8.12 0.00 -0.41 -0.29 107.32 112.94 3jyi s GLY 244 Ca -0.11 0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.70 3jyi s GLY 244 CO 0.08 1.86 0.87 -1.50 0.00 0.00 0.00 173.10 174.40 3jyi s ILE 245 N -2.36 0.00 0.10 0.90 2.07 0.04 -0.64 121.20 121.30 3jyi s ILE 245 Ca 0.19 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.52 3jyi s ILE 245 Cb 0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 3jyi s ILE 245 CO -0.02 0.00 -0.24 0.27 -1.91 0.00 0.00 174.94 173.04 3jyi s ILE 246 N -0.03 1.99 -0.14 2.00 -4.36 -0.64 -1.17 121.20 118.85 3jyi s ILE 246 Ca -0.00 -1.58 -0.29 0.00 -0.26 0.00 0.00 60.65 58.52 3jyi s ILE 246 Cb -0.04 -1.76 0.08 0.00 1.25 0.00 0.00 42.46 41.99 3jyi s ILE 246 CO -0.01 0.08 0.77 0.00 0.24 0.00 0.00 174.94 176.03 3jyi s ALA 247 N -1.04 -1.82 -0.21 2.27 0.00 -0.62 -1.37 121.76 118.99 3jyi s ALA 247 Ca 0.10 1.59 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 3jyi s ALA 247 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3jyi s ALA 247 CO 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 175.76 175.48 3jyi s ALA 248 N -0.67 3.08 0.12 0.00 0.00 0.12 -1.10 121.76 123.31 3jyi s ALA 248 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 3jyi s ALA 248 Cb -0.02 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3jyi s ALA 248 CO 0.05 -0.19 0.08 -0.48 0.00 0.00 0.00 175.76 175.22 3jyi s LEU 249 N 1.07 1.78 -0.22 0.00 2.34 -0.80 -0.42 118.68 122.43 3jyi s LEU 249 Ca 0.03 -1.08 -0.36 0.00 0.06 0.00 0.00 54.13 52.77 3jyi s LEU 249 Cb -0.14 0.46 0.15 0.00 -0.56 0.00 0.00 46.19 46.10 3jyi s LEU 249 CO 0.02 -0.73 1.33 -0.83 -1.06 0.00 0.00 176.35 175.08 3jyi s GLY 250 N -3.00 -0.27 0.60 -3.48 0.00 -0.45 -1.27 107.32 99.45 3jyi s GLY 250 Ca 0.18 1.65 -0.10 0.00 0.00 0.00 0.00 44.72 46.45 3jyi s GLY 250 CO -0.02 0.53 0.98 2.56 0.00 0.00 0.00 173.10 177.15 3jyi s PRO 251 N -2.18 3.51 -0.92 2.90 0.05 -1.22 0.06 135.00 137.20 3jyi s PRO 251 Ca 0.12 0.60 -0.02 0.00 0.05 0.00 0.00 61.00 61.74 3jyi s PRO 251 Cb 0.00 -2.14 0.00 0.00 0.05 0.00 0.00 34.50 32.41 3jyi s PRO 251 CO -0.04 -0.53 0.26 -0.25 0.05 0.00 0.00 177.00 176.49 3jyi n ASP 252 N -2.66 -4.07 0.00 6.66 8.00 -1.00 -3.08 116.55 120.39 3jyi n ASP 252 Ca 0.05 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3jyi n ASP 252 Cb 0.55 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.60 3jyi n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jyi n GLY 253 N -1.15 0.23 3.24 0.44 0.00 0.23 -4.95 105.19 103.23 3jyi n GLY 253 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3jyi n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyi s LYS 254 N -1.11 1.51 0.38 1.61 1.02 -1.18 -4.62 119.74 117.35 3jyi s LYS 254 Ca 0.00 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.93 3jyi s LYS 254 Cb 0.00 -1.55 -0.10 0.00 -0.52 0.00 0.00 37.83 35.66 3jyi s LYS 254 CO 0.00 0.41 0.91 -1.25 -0.92 0.00 0.00 175.35 174.50 3jyi s PRO 255 N -0.87 4.29 0.00 -1.68 0.04 -1.26 -3.43 135.00 132.09 3jyi s PRO 255 Ca 0.08 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3jyi s PRO 255 Cb -0.08 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3jyi s PRO 255 CO 0.01 0.10 0.00 -1.13 0.04 0.00 0.00 177.00 176.01 3jyi n SER 256 N -0.22 0.00 -4.19 6.66 3.41 -0.40 -4.84 113.62 114.05 3jyi n SER 256 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 3jyi n SER 256 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 3jyi n SER 256 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3jyi s ARG 257 N 0.00 0.88 -0.12 4.33 0.52 -0.88 -1.23 118.95 122.46 3jyi s ARG 257 Ca 0.00 -1.21 -0.01 0.00 -0.52 0.00 0.00 55.73 53.99 3jyi s ARG 257 Cb 0.00 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.90 3jyi s ARG 257 CO 0.00 0.08 -0.08 0.42 0.02 0.00 0.00 175.30 175.74 3jyi s ILE 258 N -2.59 3.52 -0.08 1.52 1.01 0.33 -1.90 121.20 123.01 3jyi s ILE 258 Ca 0.07 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3jyi s ILE 258 Cb -0.02 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 3jyi s ILE 258 CO 0.00 0.54 -0.24 -0.69 0.00 0.00 0.00 174.94 174.54 3jyi s VAL 259 N -0.00 2.05 -0.08 2.92 1.01 -0.26 -0.23 120.40 125.81 3jyi s VAL 259 Ca -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3jyi s VAL 259 Cb -0.14 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3jyi s VAL 259 CO 0.03 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.85 3jyi s VAL 260 N 0.16 1.42 -0.04 2.92 1.01 -0.78 -1.58 120.40 123.50 3jyi s VAL 260 Ca -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3jyi s VAL 260 Cb -0.16 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3jyi s VAL 260 CO 0.07 0.42 -0.03 -0.63 0.00 0.00 0.00 175.10 174.93 3jyi s ILE 261 N 0.56 0.38 -0.00 2.22 1.01 -0.31 -1.90 121.20 123.15 3jyi s ILE 261 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3jyi s ILE 261 Cb -0.16 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 3jyi s ILE 261 CO 0.05 0.18 -0.02 -0.31 0.00 0.00 0.00 174.94 174.85 3jyi s TYR 262 N 0.90 0.14 0.02 3.97 2.02 -0.72 -0.78 117.35 122.90 3jyi s TYR 262 Ca -0.11 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3jyi s TYR 262 Cb -0.14 -0.09 -0.02 0.00 -0.40 0.00 0.00 41.96 41.31 3jyi s TYR 262 CO -0.01 -0.01 -0.04 -0.08 -1.57 0.00 0.00 175.55 173.84 3jyi s THR 263 N -0.09 0.27 -0.08 -0.71 -1.32 0.60 -0.06 115.64 114.25 3jyi s THR 263 Ca -0.00 -0.72 -0.10 0.00 -1.21 0.00 0.00 61.69 59.66 3jyi s THR 263 Cb -0.01 -0.34 0.02 0.00 -1.51 0.00 0.00 72.50 70.66 3jyi s THR 263 CO -0.00 -0.29 0.27 0.28 -2.21 0.00 0.00 174.62 172.67 3jyi s THR 264 N -1.00 0.02 0.00 5.08 -1.32 -1.24 -0.81 115.64 116.37 3jyi s THR 264 Ca -0.09 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 3jyi s THR 264 Cb -0.07 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3jyi s THR 264 CO -0.00 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 3jyi n GLY 265 N 2.55 1.03 3.70 6.08 0.00 -0.07 -3.91 105.19 114.57 3jyi n GLY 265 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3jyi n GLY 265 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jyi s SER 266 N -1.19 3.66 0.00 1.61 0.15 -1.25 -4.77 113.70 111.92 3jyi s SER 266 Ca 0.00 2.30 0.12 0.00 0.70 0.00 0.00 55.95 59.07 3jyi s SER 266 Cb 0.00 -2.58 0.32 0.00 -1.71 0.00 0.00 66.02 62.05 3jyi s SER 266 CO 0.00 -2.62 1.24 0.00 1.20 0.00 0.00 173.24 173.07 3jyi n GLN 267 N -3.34 2.56 -1.77 5.44 6.02 -1.26 -3.06 117.38 121.97 3jyi n GLN 267 Ca 0.13 -2.02 -0.32 0.00 -0.01 0.00 0.00 57.00 54.78 3jyi n GLN 267 Cb 0.51 -1.30 0.04 0.00 1.02 0.00 0.00 30.24 30.51 3jyi n GLN 267 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jyi s ALA 268 N -1.01 2.57 0.90 -1.58 0.00 -1.26 -5.02 121.76 116.35 3jyi s ALA 268 Ca 0.25 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 3jyi s ALA 268 Cb 0.13 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.08 3jyi s ALA 268 CO 0.18 -1.17 0.87 2.41 0.00 0.00 0.00 175.76 178.05 3jyi n THR 269 N -2.52 0.49 -0.14 0.00 -1.04 -1.26 -4.76 114.28 105.05 3jyi n THR 269 Ca 0.09 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.05 61.92 3jyi n THR 269 Cb 0.53 -0.89 0.04 0.00 -1.82 0.00 0.00 70.33 68.18 3jyi n THR 269 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3jyi h MET 270 N -1.51 0.39 -0.88 -2.82 4.05 -1.99 -1.32 114.93 110.84 3jyi h MET 270 Ca -0.44 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.06 3jyi h MET 270 Cb 1.28 -0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.92 3jyi h MET 270 CO 0.40 0.26 0.52 -0.44 0.23 0.00 0.00 176.91 177.87 3jyi h ASP 271 N 0.40 0.74 -0.24 1.39 3.32 -1.99 0.32 116.42 120.36 3jyi h ASP 271 Ca 0.20 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 3jyi h ASP 271 Cb 0.14 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3jyi h ASP 271 CO -0.16 0.41 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.02 3jyi h GLU 272 N 0.84 0.79 -0.11 3.56 5.08 -1.74 -0.70 114.58 122.30 3jyi h GLU 272 Ca 0.43 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3jyi h GLU 272 Cb 0.42 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3jyi h GLU 272 CO -0.26 1.05 -0.60 0.00 -1.00 0.00 0.00 179.01 178.21 3jyi h ARG 273 N 0.64 0.36 0.32 2.33 3.08 -0.74 -2.76 114.38 117.60 3jyi h ARG 273 Ca 0.05 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3jyi h ARG 273 Cb 0.98 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3jyi h ARG 273 CO 0.09 0.85 -0.26 -0.91 -1.07 0.00 0.00 179.97 178.66 3jyi h ASN 274 N 0.27 -0.69 -0.86 7.04 2.35 -0.75 -2.84 115.58 120.09 3jyi h ASN 274 Ca -0.00 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 55.93 3jyi h ASN 274 Cb 1.12 0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.63 3jyi h ASN 274 CO 0.10 -0.39 0.48 -0.09 -1.65 0.00 0.00 177.43 175.87 3jyi h ARG 275 N -0.59 0.71 -0.17 0.81 2.43 -1.05 -0.16 114.38 116.35 3jyi h ARG 275 Ca -0.02 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 3jyi h ARG 275 Cb 0.53 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3jyi h ARG 275 CO -0.02 0.47 -0.24 1.96 -1.51 0.00 0.00 179.97 180.62 3jyi h GLN 276 N 0.73 0.32 0.20 0.20 1.08 -1.47 -1.32 115.11 114.85 3jyi h GLN 276 Ca 0.45 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 3jyi h GLN 276 Cb 0.55 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3jyi h GLN 276 CO -0.31 0.55 -0.10 0.82 -0.95 0.00 0.00 178.83 178.84 3jyi h ILE 277 N 0.29 0.89 -0.92 2.54 1.08 -0.91 -2.69 117.51 117.79 3jyi h ILE 277 Ca 0.05 -0.72 0.10 0.00 -0.39 0.00 0.00 64.86 63.90 3jyi h ILE 277 Cb 0.59 1.30 -0.08 0.00 -3.07 0.00 0.00 36.82 35.57 3jyi h ILE 277 CO 0.04 0.16 0.56 0.00 -0.69 0.00 0.00 178.15 178.22 3jyi h ALA 278 N 0.04 1.35 -0.03 1.87 0.00 -0.90 -1.28 119.26 120.30 3jyi h ALA 278 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3jyi h ALA 278 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jyi h ALA 278 CO 0.05 0.19 -0.45 0.93 0.00 0.00 0.00 179.25 179.96 3jyi h GLU 279 N 0.92 0.06 -0.55 0.00 5.08 -1.27 0.93 114.58 119.76 3jyi h GLU 279 Ca 0.45 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 3jyi h GLU 279 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3jyi h GLU 279 CO -0.25 0.51 -0.05 0.82 -1.00 0.00 0.00 179.01 179.03 3jyi h ILE 280 N 0.05 1.26 -0.05 3.13 2.04 -0.91 -2.51 117.51 120.53 3jyi h ILE 280 Ca 0.00 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 3jyi h ILE 280 Cb 0.83 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3jyi h ILE 280 CO 0.06 0.42 0.02 1.23 0.00 0.00 0.00 178.15 179.88 3jyi h GLY 281 N 0.98 0.08 -0.24 5.37 0.00 -0.67 -1.51 103.07 107.08 3jyi h GLY 281 Ca 0.15 -0.05 0.26 0.00 0.00 0.00 0.00 47.33 47.69 3jyi h GLY 281 CO 0.04 0.05 0.56 0.00 0.00 0.00 0.00 176.54 177.19 3jyi h ALA 282 N 0.83 1.79 -0.01 3.60 0.00 -0.74 0.11 119.26 124.83 3jyi h ALA 282 Ca 0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3jyi h ALA 282 Cb 0.20 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jyi h ALA 282 CO -0.00 -0.35 -0.01 0.77 0.00 0.00 0.00 179.25 179.66 3jyi h SER 283 N 0.50 0.02 -0.84 0.00 0.02 -1.19 -0.92 113.55 111.14 3jyi h SER 283 Ca 0.66 -0.48 0.20 0.00 -0.84 0.00 0.00 61.79 61.33 3jyi h SER 283 Cb 1.31 -0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.72 3jyi h SER 283 CO -0.51 0.49 0.29 0.25 -1.14 0.00 0.00 176.83 176.21 3jyi h LEU 284 N -0.45 0.16 0.03 5.07 5.85 -0.21 -0.33 115.31 125.43 3jyi h LEU 284 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3jyi h LEU 284 Cb 0.49 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3jyi h LEU 284 CO 0.00 -0.04 -0.02 0.40 -0.34 0.00 0.00 178.44 178.44 3jyi h ILE 285 N 0.32 1.26 -0.90 4.05 2.04 -1.02 -2.73 117.51 120.53 3jyi h ILE 285 Ca 0.51 -1.74 0.24 0.00 1.00 0.00 0.00 64.86 64.87 3jyi h ILE 285 Cb 0.95 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 39.28 3jyi h ILE 285 CO -0.55 0.39 0.62 0.50 0.00 0.00 0.00 178.15 179.12 3jyi h LYS 286 N -0.91 0.16 -0.32 2.37 3.64 -0.97 -2.04 116.57 118.50 3jyi h LYS 286 Ca -0.00 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 3jyi h LYS 286 Cb 0.68 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.38 3jyi h LYS 286 CO 0.01 0.11 -0.08 0.72 -2.27 0.00 0.00 179.45 177.94 3jyi n HIS 287 N -4.38 1.02 0.00 1.91 8.25 -0.15 -5.08 115.22 116.79 3jyi n HIS 287 Ca 0.19 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.15 3jyi n HIS 287 Cb 0.86 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3jyi n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85