#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyy h PRO 27 N 0.00 0.00 -0.06 1.57 0.11 -1.99 -1.81 132.00 129.82 1nyy h PRO 27 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1nyy h PRO 27 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1nyy h PRO 27 CO 0.00 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 178.63 1nyy h GLU 28 N 0.00 0.09 -0.18 1.05 4.39 -2.00 -1.74 114.58 116.18 1nyy h GLU 28 Ca 0.06 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1nyy h GLU 28 Cb 0.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1nyy h GLU 28 CO -0.00 0.18 -0.45 1.15 -1.16 0.00 0.00 179.01 178.73 1nyy h THR 29 N 0.08 1.32 -0.07 1.13 2.02 -1.65 -2.55 112.91 113.19 1nyy h THR 29 Ca 0.02 -1.64 -0.08 0.00 0.77 0.00 0.00 66.41 65.48 1nyy h THR 29 Cb 0.22 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1nyy h THR 29 CO 0.01 0.51 -0.32 -0.07 0.37 0.00 0.00 175.52 176.02 1nyy h LEU 30 N 0.37 0.13 -0.53 2.58 3.38 -1.38 -0.78 115.31 119.08 1nyy h LEU 30 Ca 0.02 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1nyy h LEU 30 Cb 0.94 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1nyy h LEU 30 CO 0.08 0.45 0.22 0.58 0.09 0.00 0.00 178.44 179.86 1nyy h VAL 31 N 0.12 0.87 -0.30 1.22 2.07 -1.01 -0.25 116.25 118.97 1nyy h VAL 31 Ca 0.02 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 1nyy h VAL 31 Cb 0.62 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1nyy h VAL 31 CO 0.05 0.08 -0.35 0.50 0.02 0.00 0.00 177.57 177.86 1nyy h LYS 32 N 0.43 0.66 -0.41 1.57 1.63 -1.09 -0.20 116.57 119.16 1nyy h LYS 32 Ca 0.25 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1nyy h LYS 32 Cb 0.23 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1nyy h LYS 32 CO -0.22 0.92 0.11 0.28 -3.45 0.00 0.00 179.45 177.09 1nyy h VAL 33 N 0.55 1.22 -0.25 2.00 2.07 -0.80 0.36 116.25 121.41 1nyy h VAL 33 Ca 0.06 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.69 1nyy h VAL 33 Cb 0.87 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1nyy h VAL 33 CO 0.07 0.27 -0.39 0.50 0.02 0.00 0.00 177.57 178.04 1nyy h LYS 34 N 0.53 0.58 -0.90 1.57 3.11 -0.96 -1.04 116.57 119.47 1nyy h LYS 34 Ca 0.13 -0.29 0.01 0.00 -2.81 0.00 0.00 60.65 57.69 1nyy h LYS 34 Cb 0.29 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.48 1nyy h LYS 34 CO -0.00 0.87 0.59 0.22 -2.81 0.00 0.00 179.45 178.32 1nyy h ASP 35 N 0.48 1.03 -0.32 4.20 -0.00 -0.64 -1.49 116.42 119.69 1nyy h ASP 35 Ca 0.04 -0.03 0.02 0.00 -0.00 0.00 0.00 57.03 57.07 1nyy h ASP 35 Cb 0.89 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.93 1nyy h ASP 35 CO 0.08 0.75 0.16 0.00 -0.00 0.00 0.00 179.24 180.23 1nyy h ALA 36 N 1.33 0.39 -0.98 -0.78 0.00 0.67 -0.44 119.26 119.45 1nyy h ALA 36 Ca 0.33 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1nyy h ALA 36 Cb -0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1nyy h ALA 36 CO -0.07 -0.22 0.63 0.93 0.00 0.00 0.00 179.25 180.52 1nyy h GLU 37 N 0.33 1.11 0.04 0.00 5.08 -0.47 -0.49 114.58 120.18 1nyy h GLU 37 Ca 0.13 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nyy h GLU 37 Cb 0.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1nyy h GLU 37 CO -0.09 0.73 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.19 1nyy h ASP 38 N 1.14 -0.04 -0.41 1.42 3.32 -0.62 0.22 116.42 121.45 1nyy h ASP 38 Ca 0.42 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1nyy h ASP 38 Cb 0.17 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1nyy h ASP 38 CO -0.17 0.12 -0.05 1.56 -1.72 0.00 0.00 179.24 178.98 1nyy h GLN 39 N -0.20 0.84 0.00 3.56 4.20 -0.80 -3.03 115.11 119.67 1nyy h GLN 39 Ca -0.01 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1nyy h GLN 39 Cb 0.19 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1nyy h GLN 39 CO 0.01 0.87 -0.33 1.28 -0.67 0.00 0.00 178.83 180.00 1nyy n LEU 40 N -4.18 0.52 -3.63 1.46 4.77 -0.22 -4.93 117.00 110.79 1nyy n LEU 40 Ca 0.02 0.31 -0.26 0.00 -0.03 0.00 0.00 56.01 56.05 1nyy n LEU 40 Cb 0.34 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1nyy n LEU 40 CO 0.43 -0.03 0.14 0.61 -1.33 0.00 0.00 177.39 177.21 1nyy n GLY 41 N 1.41 -0.52 3.51 -0.72 0.00 0.75 -4.33 105.19 105.28 1nyy n GLY 41 Ca 0.05 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1nyy n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyy s ALA 42 N -3.27 -0.60 0.29 4.61 0.00 -1.12 -4.60 121.76 117.07 1nyy s ALA 42 Ca 0.57 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1nyy s ALA 42 Cb -0.27 0.89 -0.10 0.00 0.00 0.00 0.00 23.12 23.65 1nyy s ALA 42 CO 0.70 -0.79 1.14 1.03 0.00 0.00 0.00 175.76 177.85 1nyy s ARG 43 N -3.92 4.57 -0.09 0.00 0.52 -1.23 -4.47 118.95 114.33 1nyy s ARG 43 Ca 0.13 1.89 0.02 0.00 -0.52 0.00 0.00 55.73 57.25 1nyy s ARG 43 Cb -0.00 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.33 1nyy s ARG 43 CO 0.00 0.12 -0.12 0.08 0.02 0.00 0.00 175.30 175.40 1nyy s VAL 44 N -1.17 1.22 -0.07 3.52 1.01 -1.26 -3.11 120.40 120.55 1nyy s VAL 44 Ca 0.46 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1nyy s VAL 44 Cb -0.34 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1nyy s VAL 44 CO 0.43 0.38 0.00 -0.83 0.00 0.00 0.00 175.10 175.09 1nyy s GLY 45 N 0.93 1.85 -0.02 4.51 0.00 0.17 -4.64 107.32 110.13 1nyy s GLY 45 Ca -0.09 -0.84 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 1nyy s GLY 45 CO 0.00 -0.62 0.30 -0.47 0.00 0.00 0.00 173.10 172.31 1nyy s TYR 46 N -0.93 -0.17 -0.27 1.90 5.04 0.25 -1.30 117.35 121.87 1nyy s TYR 46 Ca 0.15 0.26 -0.24 0.00 -2.44 0.00 0.00 57.07 54.80 1nyy s TYR 46 Cb -0.11 0.09 0.08 0.00 0.35 0.00 0.00 41.96 42.36 1nyy s TYR 46 CO 0.04 -0.38 0.76 -1.50 -1.34 0.00 0.00 175.55 173.13 1nyy s ILE 47 N -1.29 0.00 -0.16 3.14 2.07 -0.94 -0.89 121.20 123.13 1nyy s ILE 47 Ca -0.13 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.12 1nyy s ILE 47 Cb -0.05 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.55 1nyy s ILE 47 CO 0.04 0.00 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.16 1nyy s GLU 48 N 0.54 3.02 -0.06 3.50 2.12 -0.20 -1.86 118.70 125.76 1nyy s GLU 48 Ca -0.01 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.54 1nyy s GLU 48 Cb -0.05 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 1nyy s GLU 48 CO -0.03 -0.11 -0.24 -1.17 -0.54 0.00 0.00 175.26 173.17 1nyy s LEU 49 N 1.05 2.06 -0.07 2.70 2.96 0.78 -0.11 118.68 128.05 1nyy s LEU 49 Ca -0.01 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 1nyy s LEU 49 Cb -0.14 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1nyy s LEU 49 CO -0.07 0.22 1.30 -0.62 -1.32 0.00 0.00 176.35 175.85 1nyy s ASP 50 N -0.05 6.95 0.19 3.68 2.15 0.21 -0.27 116.67 129.53 1nyy s ASP 50 Ca -0.07 1.89 -0.10 0.00 0.43 0.00 0.00 52.55 54.70 1nyy s ASP 50 Cb -0.14 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.04 1nyy s ASP 50 CO 0.05 -0.68 1.76 0.25 -0.17 0.00 0.00 175.17 176.38 1nyy h LEU 51 N 8.73 0.94 0.08 -1.34 5.85 -1.66 0.19 115.31 128.10 1nyy h LEU 51 Ca -0.34 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1nyy h LEU 51 Cb 1.15 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1nyy h LEU 51 CO 0.91 0.84 -0.04 -1.13 -0.34 0.00 0.00 178.44 178.68 1nyy h ASN 52 N 0.98 -0.10 0.99 1.25 -1.24 -1.91 -3.37 115.58 112.18 1nyy h ASN 52 Ca 0.23 -0.48 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 1nyy h ASN 52 Cb 0.18 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1nyy h ASN 52 CO -0.02 0.49 -1.03 0.77 -1.29 0.00 0.00 177.43 176.34 1nyy h SER 53 N -0.74 0.00 0.00 1.15 4.64 -1.96 -3.48 113.55 113.17 1nyy h SER 53 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nyy h SER 53 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1nyy h SER 53 CO 0.02 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1nyy n GLY 54 N 1.21 0.50 3.73 -0.77 0.00 0.67 -5.01 105.19 105.53 1nyy n GLY 54 Ca -0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1nyy n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nyy s LYS 55 N -0.03 4.60 -0.27 1.61 2.20 -1.24 -4.70 119.74 121.90 1nyy s LYS 55 Ca 0.00 1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 1nyy s LYS 55 Cb 0.00 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1nyy s LYS 55 CO 0.00 0.07 1.17 0.42 -0.36 0.00 0.00 175.35 176.65 1nyy s ILE 56 N -0.05 4.38 0.01 5.43 1.01 -1.26 -0.62 121.20 130.09 1nyy s ILE 56 Ca 0.50 1.61 0.09 0.00 0.00 0.00 0.00 60.65 62.85 1nyy s ILE 56 Cb -0.28 -4.24 -0.23 0.00 0.01 0.00 0.00 42.46 37.72 1nyy s ILE 56 CO 0.33 -0.37 0.86 -0.07 0.00 0.00 0.00 174.94 175.70 1nyy h LEU 57 N 10.15 0.04 -7.00 2.97 3.38 -0.88 -3.49 115.31 120.48 1nyy h LEU 57 Ca -0.23 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1nyy h LEU 57 Cb 1.08 -0.01 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 1nyy h LEU 57 CO 1.01 1.06 0.37 -0.70 0.09 0.00 0.00 178.44 180.27 1nyy s GLU 58 N -2.63 0.75 0.16 1.13 2.56 -1.19 -4.55 118.70 114.92 1nyy s GLU 58 Ca -0.04 0.37 -0.16 0.00 0.00 0.00 0.00 54.97 55.14 1nyy s GLU 58 Cb 0.08 0.36 0.03 0.00 2.00 0.00 0.00 34.13 36.60 1nyy s GLU 58 CO 0.82 -0.20 0.44 -1.54 -0.56 0.00 0.00 175.26 174.23 1nyy s SER 59 N -0.72 -0.22 -0.21 -1.70 1.04 -1.26 -1.03 113.70 109.60 1nyy s SER 59 Ca -0.04 -0.43 -0.06 0.00 0.48 0.00 0.00 55.95 55.91 1nyy s SER 59 Cb -0.02 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1nyy s SER 59 CO 0.03 -0.94 0.40 0.12 0.98 0.00 0.00 173.24 173.83 1nyy s PHE 60 N -3.85 -0.79 -1.56 5.02 2.19 -0.07 -4.87 117.98 114.05 1nyy s PHE 60 Ca 0.07 1.31 -0.13 0.00 0.33 0.00 0.00 56.93 58.51 1nyy s PHE 60 Cb 0.01 0.21 0.10 0.00 -1.31 0.00 0.00 43.02 42.02 1nyy s PHE 60 CO -0.07 -0.54 0.82 0.54 1.83 0.00 0.00 175.22 177.79 1nyy n ARG 61 N 5.38 -4.33 -0.10 10.12 1.74 -1.26 -0.59 116.66 127.63 1nyy n ARG 61 Ca -0.07 0.49 0.16 0.00 -0.77 0.00 0.00 57.85 57.66 1nyy n ARG 61 Cb 0.50 -5.20 0.56 0.00 -1.02 0.00 0.00 32.46 27.30 1nyy n ARG 61 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1nyy h PRO 62 N -1.83 0.28 -0.39 5.56 0.13 -1.90 -2.60 132.00 131.25 1nyy h PRO 62 Ca -0.59 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.47 1nyy h PRO 62 Cb 1.38 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1nyy h PRO 62 CO 0.70 0.19 0.03 0.39 -0.23 0.00 0.00 178.00 179.08 1nyy n GLU 63 N -4.45 3.25 -3.78 0.86 1.02 -1.26 -0.72 120.64 115.57 1nyy n GLU 63 Ca 0.12 -2.97 -0.37 0.00 -0.02 0.00 0.00 57.16 53.92 1nyy n GLU 63 Cb 0.52 -1.97 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 1nyy n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nyy s GLU 64 N -2.90 3.57 0.38 3.49 2.02 -0.98 -4.98 118.70 119.30 1nyy s GLU 64 Ca 0.47 0.00 -0.25 0.00 0.02 0.00 0.00 54.97 55.21 1nyy s GLU 64 Cb 0.38 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 1nyy s GLU 64 CO 0.10 0.74 1.08 1.03 0.02 0.00 0.00 175.26 178.23 1nyy s ARG 65 N -1.14 4.22 -0.00 1.61 0.52 -1.26 -4.21 118.95 118.68 1nyy s ARG 65 Ca 0.19 1.63 -0.06 0.00 -0.52 0.00 0.00 55.73 56.97 1nyy s ARG 65 Cb -0.13 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1nyy s ARG 65 CO 0.08 -0.12 0.11 -0.06 0.02 0.00 0.00 175.30 175.33 1nyy s PHE 66 N -1.52 0.04 0.66 -0.53 0.40 -0.36 -4.97 117.98 111.70 1nyy s PHE 66 Ca 0.55 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.60 1nyy s PHE 66 Cb -0.25 -0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.22 1nyy s PHE 66 CO 0.32 -0.23 1.28 -2.14 0.70 0.00 0.00 175.22 175.15 1nyy s PRO 67 N -1.13 2.50 -0.01 0.24 0.02 -1.26 -1.99 135.00 133.37 1nyy s PRO 67 Ca -0.12 2.02 0.11 0.00 0.02 0.00 0.00 61.00 63.03 1nyy s PRO 67 Cb -0.07 -1.85 -0.23 0.00 0.02 0.00 0.00 34.50 32.38 1nyy s PRO 67 CO 0.01 -1.62 0.80 0.52 -0.33 0.00 0.00 177.00 176.38 1nyy h MET 68 N 0.44 0.00 0.00 5.54 2.86 -1.72 -3.45 114.93 118.60 1nyy h MET 68 Ca -0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1nyy h MET 68 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1nyy h MET 68 CO 0.53 0.61 0.00 -1.33 1.06 0.00 0.00 176.91 177.77 1nyy n MET 69 N -3.11 0.00 0.00 1.72 2.81 -1.26 -1.89 117.12 115.38 1nyy n MET 69 Ca -0.13 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.77 1nyy n MET 69 Cb 1.03 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.56 1nyy n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nyy n SER 70 N -3.36 0.00 0.19 7.83 7.64 -1.26 -2.53 113.62 122.13 1nyy n SER 70 Ca 0.00 0.49 0.14 0.00 1.01 0.00 0.00 58.87 60.51 1nyy n SER 70 Cb 0.00 -0.49 0.68 0.00 -1.01 0.00 0.00 64.21 63.38 1nyy n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1nyy h THR 71 N 0.00 0.00 0.00 0.44 1.35 -1.44 -1.77 112.91 111.49 1nyy h THR 71 Ca 0.00 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 1nyy h THR 71 Cb 0.02 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1nyy h THR 71 CO 0.00 0.00 -0.16 2.19 -0.25 0.00 0.00 175.52 177.30 1nyy h PHE 72 N 0.00 0.00 -0.29 4.73 -0.00 -1.66 -3.06 116.94 116.66 1nyy h PHE 72 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.97 58.05 1nyy h PHE 72 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.07 1nyy h PHE 72 CO 0.00 0.16 0.24 0.87 -0.00 0.00 0.00 178.31 179.58 1nyy h LYS 73 N 0.00 0.00 -0.30 6.09 1.57 -1.58 0.50 116.57 122.85 1nyy h LYS 73 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1nyy h LYS 73 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1nyy h LYS 73 CO 0.02 0.00 -0.44 0.28 -0.57 0.00 0.00 179.45 178.75 1nyy h VAL 74 N 0.00 1.29 -0.30 0.50 2.07 -1.75 -1.60 116.25 116.46 1nyy h VAL 74 Ca 0.14 -1.62 -0.11 0.00 0.82 0.00 0.00 66.70 65.92 1nyy h VAL 74 Cb 0.62 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1nyy h VAL 74 CO -0.00 0.53 -0.28 -0.07 0.02 0.00 0.00 177.57 177.77 1nyy h LEU 75 N 0.59 0.63 0.20 2.57 3.38 -1.17 -1.15 115.31 120.36 1nyy h LEU 75 Ca 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1nyy h LEU 75 Cb 1.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1nyy h LEU 75 CO 0.10 0.88 -0.17 0.25 0.09 0.00 0.00 178.44 179.58 1nyy h LEU 76 N 0.53 -0.46 -1.38 1.67 5.85 -0.79 -1.78 115.31 118.96 1nyy h LEU 76 Ca 0.07 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1nyy h LEU 76 Cb 0.75 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1nyy h LEU 76 CO 0.06 -0.27 -0.30 0.00 -0.34 0.00 0.00 178.44 177.59 1nyy h GLY 78 N 1.15 0.54 1.34 0.00 0.00 -0.75 0.10 103.07 105.46 1nyy h GLY 78 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1nyy h GLY 78 CO 0.04 0.17 0.01 0.00 0.00 0.00 0.00 176.54 176.76 1nyy h ALA 79 N 1.16 1.11 -0.36 3.60 0.00 -0.81 -0.30 119.26 123.67 1nyy h ALA 79 Ca 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1nyy h ALA 79 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nyy h ALA 79 CO -0.06 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.15 1nyy h VAL 80 N 0.75 1.21 -0.18 0.00 2.07 -0.75 -2.09 116.25 117.26 1nyy h VAL 80 Ca 0.15 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1nyy h VAL 80 Cb 0.44 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1nyy h VAL 80 CO 0.02 0.24 -0.22 -0.07 0.02 0.00 0.00 177.57 177.56 1nyy h LEU 81 N 0.42 0.32 -0.96 2.57 3.38 -0.46 -1.03 115.31 119.54 1nyy h LEU 81 Ca 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nyy h LEU 81 Cb 0.27 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1nyy h LEU 81 CO -0.00 0.55 0.64 -1.28 0.09 0.00 0.00 178.44 178.43 1nyy h SER 82 N 0.29 1.09 -0.33 -0.43 0.87 -0.75 -0.62 113.55 113.67 1nyy h SER 82 Ca 0.05 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1nyy h SER 82 Cb 0.55 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1nyy h SER 82 CO 0.04 0.78 -0.07 0.03 -0.53 0.00 0.00 176.83 177.08 1nyy h ARG 83 N 1.29 0.63 0.02 2.24 3.08 -0.66 -2.52 114.38 118.46 1nyy h ARG 83 Ca 0.36 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1nyy h ARG 83 Cb -0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1nyy h ARG 83 CO -0.09 0.80 -0.09 0.28 -1.07 0.00 0.00 179.97 179.80 1nyy h VAL 84 N 0.42 0.77 -0.97 2.04 2.07 -0.74 0.30 116.25 120.13 1nyy h VAL 84 Ca 0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 1nyy h VAL 84 Cb 0.56 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1nyy h VAL 84 CO 0.03 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.67 1nyy h ASP 85 N -0.17 0.81 -0.11 0.57 3.32 -1.07 0.13 116.42 119.90 1nyy h ASP 85 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nyy h ASP 85 Cb 0.20 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1nyy h ASP 85 CO -0.08 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1nyy n ALA 86 N -2.37 2.51 -0.86 3.45 0.00 -0.86 -4.88 120.51 117.50 1nyy n ALA 86 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nyy n ALA 86 Cb 0.45 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1nyy n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nyy n GLY 87 N 0.77 0.96 0.00 0.00 0.00 0.46 -4.87 105.19 102.52 1nyy n GLY 87 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1nyy n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nyy n GLN 88 N -2.00 0.63 -3.62 1.61 6.02 0.04 -4.86 117.38 115.20 1nyy n GLN 88 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1nyy n GLN 88 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 1nyy n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nyy s GLU 89 N -2.37 1.00 -0.05 -1.09 2.56 -1.15 -4.87 118.70 112.71 1nyy s GLU 89 Ca 0.35 -0.36 0.05 0.00 0.00 0.00 0.00 54.97 55.01 1nyy s GLU 89 Cb 0.21 0.45 -0.01 0.00 2.00 0.00 0.00 34.13 36.78 1nyy s GLU 89 CO 0.43 -0.36 -0.22 -0.65 -0.56 0.00 0.00 175.26 173.90 1nyy s GLN 90 N -2.68 2.24 0.34 4.30 1.11 -1.26 -4.16 119.66 119.54 1nyy s GLN 90 Ca -0.04 -0.77 0.11 0.00 0.01 0.00 0.00 55.36 54.67 1nyy s GLN 90 Cb -0.00 -1.90 0.60 0.00 -1.01 0.00 0.00 33.01 30.69 1nyy s GLN 90 CO -0.04 0.31 1.76 -0.07 0.01 0.00 0.00 175.29 177.26 1nyy h LEU 91 N 6.18 0.03 -0.07 2.90 3.38 -1.97 -2.58 115.31 123.18 1nyy h LEU 91 Ca -0.32 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1nyy h LEU 91 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1nyy h LEU 91 CO 0.47 0.46 -0.10 0.61 0.09 0.00 0.00 178.44 179.97 1nyy n GLY 92 N -0.26 -1.24 3.70 0.83 0.00 -1.26 -1.18 105.19 105.78 1nyy n GLY 92 Ca -0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1nyy n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nyy n ARG 93 N -1.28 2.58 -3.38 1.61 0.63 -0.97 -4.72 116.66 111.13 1nyy n ARG 93 Ca 0.11 0.93 -0.38 0.00 -0.92 0.00 0.00 57.85 57.59 1nyy n ARG 93 Cb 0.30 -2.76 -0.06 0.00 0.45 0.00 0.00 32.46 30.39 1nyy n ARG 93 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1nyy s ARG 94 N 1.20 4.26 -0.20 -0.14 3.52 -1.26 -0.89 118.95 125.44 1nyy s ARG 94 Ca 0.77 0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 56.70 1nyy s ARG 94 Cb -0.56 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 1nyy s ARG 94 CO 0.34 0.26 0.00 0.42 -0.81 0.00 0.00 175.30 175.52 1nyy s ILE 95 N 0.30 4.04 -0.16 4.11 -1.09 0.21 -4.95 121.20 123.66 1nyy s ILE 95 Ca 0.24 -0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1nyy s ILE 95 Cb -0.15 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1nyy s ILE 95 CO 0.10 0.43 0.12 -1.00 -1.23 0.00 0.00 174.94 173.37 1nyy s HIS 96 N 0.89 3.47 0.29 3.97 3.76 -1.26 -2.02 115.29 124.39 1nyy s HIS 96 Ca 0.01 0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.36 1nyy s HIS 96 Cb -0.14 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 1nyy s HIS 96 CO 0.02 0.49 0.22 1.52 -0.85 0.00 0.00 174.74 176.14 1nyy s TYR 97 N -0.32 1.56 0.30 1.40 1.13 -1.26 -5.06 117.35 115.10 1nyy s TYR 97 Ca 0.11 -1.55 0.05 0.00 -1.41 0.00 0.00 57.07 54.27 1nyy s TYR 97 Cb -0.12 -0.68 -0.03 0.00 -1.10 0.00 0.00 41.96 40.03 1nyy s TYR 97 CO 0.01 -0.76 0.23 -1.54 -2.51 0.00 0.00 175.55 170.98 1nyy s SER 98 N -3.31 1.37 0.44 -0.18 1.04 -1.26 -4.84 113.70 106.95 1nyy s SER 98 Ca 0.40 -1.66 0.22 0.00 0.48 0.00 0.00 55.95 55.39 1nyy s SER 98 Cb 0.04 0.51 1.21 0.00 0.10 0.00 0.00 66.02 67.87 1nyy s SER 98 CO 0.22 -1.00 1.80 1.56 0.98 0.00 0.00 173.24 176.79 1nyy h GLN 99 N 2.24 0.29 -0.42 4.02 4.20 -1.98 0.27 115.11 123.73 1nyy h GLN 99 Ca -0.28 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.50 1nyy h GLN 99 Cb 1.24 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1nyy h GLN 99 CO 0.42 0.19 0.29 -0.91 -0.67 0.00 0.00 178.83 178.15 1nyy h ASN 100 N 0.30 0.13 1.60 1.46 -0.26 -2.05 -1.59 115.58 115.17 1nyy h ASN 100 Ca 0.56 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.26 1nyy h ASN 100 Cb 1.61 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.84 1nyy h ASN 100 CO -0.21 0.08 -0.21 0.44 -1.06 0.00 0.00 177.43 176.46 1nyy h ASP 101 N 0.14 0.00 -2.70 5.81 3.32 -0.85 -3.46 116.42 118.69 1nyy h ASP 101 Ca 0.19 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.72 1nyy h ASP 101 Cb 0.59 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.17 1nyy h ASP 101 CO -0.03 0.21 0.99 -0.76 -1.72 0.00 0.00 179.24 177.94 1nyy s LEU 102 N -6.38 4.37 0.39 1.55 1.43 -0.60 -4.87 118.68 114.58 1nyy s LEU 102 Ca 0.05 2.57 0.07 0.00 -1.03 0.00 0.00 54.13 55.78 1nyy s LEU 102 Cb 0.07 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 1nyy s LEU 102 CO 0.68 -0.89 0.00 0.68 0.23 0.00 0.00 176.35 177.05 1nyy s VAL 103 N 2.25 1.91 0.26 -1.59 -7.23 -1.26 -5.08 120.40 109.66 1nyy s VAL 103 Ca 0.74 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 58.61 1nyy s VAL 103 Cb -0.42 -2.92 -0.15 0.00 0.56 0.00 0.00 36.38 33.45 1nyy s VAL 103 CO 0.33 -0.03 0.85 -1.84 -0.31 0.00 0.00 175.10 174.10 1nyy n GLU 104 N -0.91 0.92 -3.06 4.82 0.28 -1.26 -3.79 120.64 117.64 1nyy n GLU 104 Ca -0.05 0.32 -0.02 0.00 -0.16 0.00 0.00 57.16 57.25 1nyy n GLU 104 Cb 0.66 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.96 1nyy n GLU 104 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1nyy n TYR 105 N 0.14 -3.02 -3.23 -1.84 9.36 -1.26 -4.55 117.16 112.77 1nyy n TYR 105 Ca 0.12 1.16 -0.24 0.00 3.32 0.00 0.00 57.90 62.26 1nyy n TYR 105 Cb 0.30 -4.05 -0.06 0.00 -0.63 0.00 0.00 39.34 34.89 1nyy n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1nyy n SER 106 N -1.60 1.81 0.26 2.98 7.64 -1.25 -1.57 113.62 121.89 1nyy n SER 106 Ca 0.00 -3.08 0.12 0.00 1.01 0.00 0.00 58.87 56.93 1nyy n SER 106 Cb 0.50 -0.64 0.73 0.00 -1.01 0.00 0.00 64.21 63.79 1nyy n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1nyy h PRO 107 N 3.76 0.00 0.00 1.43 0.13 -1.94 -1.82 132.00 133.56 1nyy h PRO 107 Ca 0.12 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.81 1nyy h PRO 107 Cb 0.79 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 1nyy h PRO 107 CO 0.62 0.12 -2.49 0.28 -0.23 0.00 0.00 178.00 176.30 1nyy n VAL 108 N -3.68 1.46 0.01 1.56 0.31 -1.26 -4.50 118.33 112.24 1nyy n VAL 108 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1nyy n VAL 108 Cb 0.23 -1.78 0.31 0.00 -0.91 0.00 0.00 33.84 31.70 1nyy n VAL 108 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1nyy h THR 109 N -0.78 1.19 0.00 2.52 1.35 -1.97 -2.30 112.91 112.92 1nyy h THR 109 Ca -0.66 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1nyy h THR 109 Cb 1.65 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1nyy h THR 109 CO -0.35 0.26 0.00 -1.84 -0.25 0.00 0.00 175.52 173.33 1nyy n GLU 110 N -4.29 0.11 -0.17 4.72 0.28 -0.68 -1.60 120.64 119.01 1nyy n GLU 110 Ca 0.01 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.57 1nyy n GLU 110 Cb 0.24 -1.75 0.22 0.00 1.43 0.00 0.00 31.44 31.57 1nyy n GLU 110 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1nyy n LYS 111 N -1.96 2.47 -0.57 3.44 5.02 -0.86 -4.38 118.16 121.30 1nyy n LYS 111 Ca 0.01 -2.21 0.05 0.00 -2.02 0.00 0.00 58.31 54.15 1nyy n LYS 111 Cb 0.14 -1.51 0.10 0.00 -0.02 0.00 0.00 35.03 33.74 1nyy n LYS 111 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nyy n HIS 112 N 1.43 0.00 -0.29 2.13 8.25 -0.62 -4.83 115.22 121.29 1nyy n HIS 112 Ca 0.19 -0.76 0.06 0.00 -0.26 0.00 0.00 57.72 56.95 1nyy n HIS 112 Cb 0.60 -0.15 0.28 0.00 1.12 0.00 0.00 29.99 31.84 1nyy n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1nyy h LEU 113 N 0.42 0.83 0.75 2.41 3.38 -1.76 0.54 115.31 121.88 1nyy h LEU 113 Ca -0.04 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1nyy h LEU 113 Cb 1.27 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.88 1nyy h LEU 113 CO 0.02 0.50 -0.36 0.74 0.09 0.00 0.00 178.44 179.43 1nyy h THR 114 N 0.92 0.26 -0.11 0.22 2.02 -1.88 -3.35 112.91 110.99 1nyy h THR 114 Ca 0.41 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1nyy h THR 114 Cb 0.36 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1nyy h THR 114 CO -0.17 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.19 1nyy n ASP 115 N -5.52 2.53 -0.36 4.18 8.00 -1.18 -5.03 116.55 119.17 1nyy n ASP 115 Ca -0.14 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1nyy n ASP 115 Cb 0.41 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1nyy n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nyy n GLY 116 N 0.92 -1.66 3.24 0.44 0.00 0.17 -4.88 105.19 103.42 1nyy n GLY 116 Ca 0.11 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1nyy n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nyy s MET 117 N 0.00 0.75 0.64 1.61 -1.94 -0.86 -4.90 119.30 114.60 1nyy s MET 117 Ca 0.00 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 1nyy s MET 117 Cb 0.00 0.32 -0.02 0.00 2.01 0.00 0.00 34.83 37.14 1nyy s MET 117 CO 0.00 -0.23 1.04 0.95 -0.01 0.00 0.00 175.02 176.77 1nyy s THR 118 N -2.21 4.32 0.25 2.05 -4.23 -1.26 -0.62 115.64 113.95 1nyy s THR 118 Ca -0.07 0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1nyy s THR 118 Cb -0.02 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.31 1nyy s THR 118 CO -0.01 -0.96 1.72 0.58 -0.54 0.00 0.00 174.62 175.40 1nyy h VAL 119 N -0.39 0.60 -0.49 2.29 2.07 -0.88 0.31 116.25 119.76 1nyy h VAL 119 Ca -0.44 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1nyy h VAL 119 Cb 1.21 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1nyy h VAL 119 CO 0.62 0.08 0.27 -0.09 0.02 0.00 0.00 177.57 178.47 1nyy h ARG 120 N 0.42 0.69 0.00 1.57 2.43 -1.43 -2.06 114.38 115.99 1nyy h ARG 120 Ca 0.45 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 1nyy h ARG 120 Cb 0.72 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1nyy h ARG 120 CO -0.44 0.54 -0.29 0.93 -1.51 0.00 0.00 179.97 179.20 1nyy h GLU 121 N 0.65 0.00 -0.06 0.20 5.08 -1.39 -2.34 114.58 116.72 1nyy h GLU 121 Ca 0.17 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1nyy h GLU 121 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1nyy h GLU 121 CO -0.03 0.29 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.33 1nyy h LEU 122 N 0.00 0.73 -0.73 1.33 3.38 -0.37 -1.74 115.31 117.91 1nyy h LEU 122 Ca -0.00 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.33 1nyy h LEU 122 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1nyy h LEU 122 CO 0.04 1.32 -0.24 0.00 0.09 0.00 0.00 178.44 179.65 1nyy h SER 124 N 0.62 0.16 -0.62 0.00 0.87 -1.34 -0.42 113.55 112.82 1nyy h SER 124 Ca 0.09 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1nyy h SER 124 Cb 0.73 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1nyy h SER 124 CO 0.06 0.12 0.35 0.00 -0.53 0.00 0.00 176.83 176.83 1nyy h ALA 125 N 1.10 0.80 -0.64 6.23 0.00 -0.93 0.21 119.26 126.03 1nyy h ALA 125 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1nyy h ALA 125 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1nyy h ALA 125 CO -0.05 0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.59 1nyy h ALA 126 N 1.17 0.85 0.00 0.00 0.00 -0.41 -1.62 119.26 119.24 1nyy h ALA 126 Ca 0.22 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1nyy h ALA 126 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1nyy h ALA 126 CO -0.04 0.62 -0.65 0.82 0.00 0.00 0.00 179.25 180.00 1nyy h ILE 127 N 0.97 1.28 -0.12 0.00 2.04 -0.97 -2.09 117.51 118.62 1nyy h ILE 127 Ca 0.19 -2.21 -0.17 0.00 1.00 0.00 0.00 64.86 63.68 1nyy h ILE 127 Cb 0.45 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1nyy h ILE 127 CO 0.01 0.43 -0.63 0.71 0.00 0.00 0.00 178.15 178.67 1nyy h THR 128 N -1.00 1.36 -0.00 -0.27 1.35 -1.09 -3.33 112.91 109.93 1nyy h THR 128 Ca -0.18 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1nyy h THR 128 Cb 1.13 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1nyy h THR 128 CO -0.11 0.60 -0.23 0.23 -0.25 0.00 0.00 175.52 175.76 1nyy n MET 129 N -3.89 2.99 -2.24 4.72 2.81 -0.91 -1.07 117.12 119.53 1nyy n MET 129 Ca -0.03 -0.36 -0.18 0.00 -1.81 0.00 0.00 57.70 55.32 1nyy n MET 129 Cb 0.65 -0.96 -0.02 0.00 -0.71 0.00 0.00 33.22 32.18 1nyy n MET 129 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1nyy n SER 130 N -0.59 -5.29 -4.67 7.83 2.88 -0.74 -4.90 113.62 108.14 1nyy n SER 130 Ca 0.03 0.04 -0.45 0.00 -1.33 0.00 0.00 58.87 57.16 1nyy n SER 130 Cb 0.15 -4.36 -0.04 0.00 -0.75 0.00 0.00 64.21 59.21 1nyy n SER 130 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1nyy n ASP 131 N -1.41 3.78 -0.06 -3.46 -0.08 -0.69 -4.90 116.55 109.73 1nyy n ASP 131 Ca -0.21 0.94 -0.16 0.00 -1.51 0.00 0.00 54.79 53.86 1nyy n ASP 131 Cb 0.66 -1.45 -0.05 0.00 2.34 0.00 0.00 41.12 42.62 1nyy n ASP 131 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1nyy h ASN 132 N 9.75 0.96 -0.35 1.67 2.35 -1.53 -2.84 115.58 125.58 1nyy h ASN 132 Ca -0.49 -0.56 -0.07 0.00 -0.55 0.00 0.00 56.30 54.62 1nyy h ASN 132 Cb 1.26 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1nyy h ASN 132 CO 0.94 1.35 -0.03 0.74 -1.65 0.00 0.00 177.43 178.78 1nyy h THR 133 N 0.61 1.24 -0.88 2.81 2.02 -1.83 -1.91 112.91 114.97 1nyy h THR 133 Ca -0.01 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.18 1nyy h THR 133 Cb 1.22 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1nyy h THR 133 CO 0.13 0.35 0.58 0.00 0.37 0.00 0.00 175.52 176.95 1nyy h ALA 134 N 1.28 1.13 -0.01 6.16 0.00 -1.88 -0.57 119.26 125.36 1nyy h ALA 134 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nyy h ALA 134 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nyy h ALA 134 CO 0.02 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.75 1nyy h ALA 135 N 1.34 0.02 -0.94 0.00 0.00 -1.17 -1.53 119.26 116.96 1nyy h ALA 135 Ca 0.33 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1nyy h ALA 135 Cb -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1nyy h ALA 135 CO -0.09 -0.47 0.59 -0.91 0.00 0.00 0.00 179.25 178.36 1nyy h ASN 136 N -0.00 0.89 -0.45 0.00 2.35 -0.77 0.09 115.58 117.69 1nyy h ASN 136 Ca 0.00 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1nyy h ASN 136 Cb 0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1nyy h ASN 136 CO -0.00 0.53 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.15 1nyy h LEU 137 N 1.00 0.86 -0.61 1.61 3.38 -0.79 -1.96 115.31 118.81 1nyy h LEU 137 Ca 0.44 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1nyy h LEU 137 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1nyy h LEU 137 CO -0.22 1.01 -0.21 -0.07 0.09 0.00 0.00 178.44 179.04 1nyy h LEU 138 N 0.70 0.90 -0.83 1.67 3.38 -0.65 -2.26 115.31 118.22 1nyy h LEU 138 Ca 0.12 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1nyy h LEU 138 Cb 0.62 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1nyy h LEU 138 CO 0.04 1.08 0.54 -0.07 0.09 0.00 0.00 178.44 180.11 1nyy h LEU 139 N 0.76 0.90 -1.00 1.67 3.38 -0.88 -1.35 115.31 118.79 1nyy h LEU 139 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nyy h LEU 139 Cb 0.75 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1nyy h LEU 139 CO 0.06 0.63 0.58 0.74 0.09 0.00 0.00 178.44 180.54 1nyy h THR 140 N 1.06 1.25 0.00 0.22 2.02 -0.98 0.38 112.91 116.86 1nyy h THR 140 Ca 0.32 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1nyy h THR 140 Cb -0.04 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 1nyy h THR 140 CO -0.10 0.26 -0.20 0.71 0.37 0.00 0.00 175.52 176.56 1nyy h THR 141 N 1.29 0.97 -0.02 3.16 1.35 -0.68 -2.82 112.91 116.15 1nyy h THR 141 Ca 0.34 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1nyy h THR 141 Cb -0.08 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1nyy h THR 141 CO -0.07 0.20 -0.18 2.30 -0.25 0.00 0.00 175.52 177.52 1nyy n ILE 142 N -4.03 0.00 0.00 6.82 -5.35 -0.85 -4.95 119.36 111.00 1nyy n ILE 142 Ca -0.02 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1nyy n ILE 142 Cb 0.28 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1nyy n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nyy n GLY 143 N 1.36 1.21 0.00 3.28 0.00 -0.78 -4.76 105.19 105.50 1nyy n GLY 143 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nyy n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nyy n GLY 144 N -1.44 -0.69 0.29 -0.02 0.00 0.13 -4.15 105.19 99.31 1nyy n GLY 144 Ca 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.35 1nyy n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nyy h PRO 145 N 0.00 0.50 -0.85 1.61 0.11 -1.85 -1.90 132.00 129.62 1nyy h PRO 145 Ca 0.00 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.22 1nyy h PRO 145 Cb 0.00 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 30.91 1nyy h PRO 145 CO 0.00 0.33 0.45 0.87 -0.21 0.00 0.00 178.00 179.44 1nyy h LYS 146 N 0.51 0.63 -0.11 1.05 1.57 -1.79 -0.48 116.57 117.96 1nyy h LYS 146 Ca 0.44 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.95 1nyy h LYS 146 Cb 0.65 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1nyy h LYS 146 CO -0.39 0.42 -0.83 0.93 -0.57 0.00 0.00 179.45 179.01 1nyy h GLU 147 N 0.65 0.72 -0.83 3.15 4.39 -1.52 -1.30 114.58 119.85 1nyy h GLU 147 Ca 0.46 -0.63 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1nyy h GLU 147 Cb 0.62 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 1nyy h GLU 147 CO -0.35 1.24 0.48 1.25 -1.16 0.00 0.00 179.01 180.47 1nyy h LEU 148 N 0.47 1.01 -0.85 1.33 5.85 -1.00 0.28 115.31 122.40 1nyy h LEU 148 Ca -0.07 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1nyy h LEU 148 Cb 1.46 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1nyy h LEU 148 CO 0.17 0.80 0.20 0.74 -0.34 0.00 0.00 178.44 180.01 1nyy h THR 149 N 1.15 1.25 -0.23 1.05 2.02 -0.99 -0.76 112.91 116.40 1nyy h THR 149 Ca 0.30 -0.88 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 1nyy h THR 149 Cb -0.01 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1nyy h THR 149 CO -0.05 0.34 -0.37 0.00 0.37 0.00 0.00 175.52 175.80 1nyy h ALA 150 N 1.20 0.93 -0.31 6.16 0.00 -0.55 -0.70 119.26 125.99 1nyy h ALA 150 Ca 0.22 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1nyy h ALA 150 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nyy h ALA 150 CO -0.01 0.62 0.15 0.35 0.00 0.00 0.00 179.25 180.36 1nyy h PHE 151 N 0.43 0.45 -0.17 0.00 3.57 0.22 -0.32 116.94 121.13 1nyy h PHE 151 Ca 0.04 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1nyy h PHE 151 Cb 0.85 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1nyy h PHE 151 CO 0.03 0.41 0.09 -0.07 -2.23 0.00 0.00 178.31 176.54 1nyy h LEU 152 N 0.37 0.21 -0.56 0.59 3.38 -0.93 -1.96 115.31 116.42 1nyy h LEU 152 Ca 0.11 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1nyy h LEU 152 Cb 0.13 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1nyy h LEU 152 CO -0.01 0.24 0.34 -0.74 0.09 0.00 0.00 178.44 178.36 1nyy h HIS 153 N 0.16 0.63 -0.34 1.13 2.76 -0.94 -0.32 115.15 118.24 1nyy h HIS 153 Ca 0.06 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.35 1nyy h HIS 153 Cb 0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1nyy h HIS 153 CO -0.04 0.36 0.30 -0.97 -1.30 0.00 0.00 177.93 176.28 1nyy h ASN 154 N 0.66 0.00 -0.59 3.26 -0.00 -0.58 -1.28 115.58 117.05 1nyy h ASN 154 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 1nyy h ASN 154 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 1nyy h ASN 154 CO -0.10 0.00 0.00 1.15 -0.00 0.00 0.00 177.43 178.48 1nyy n MET 155 N -4.02 4.00 0.00 6.67 0.00 -0.24 -4.93 117.12 118.59 1nyy n MET 155 Ca 0.05 -2.95 0.00 0.00 0.00 0.00 0.00 57.70 54.81 1nyy n MET 155 Cb 0.47 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.71 1nyy n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nyy n GLY 156 N 0.84 0.26 3.35 3.17 0.00 -0.48 -5.04 105.19 107.29 1nyy n GLY 156 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 1nyy n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nyy s ASP 157 N -2.46 6.29 -0.13 1.61 -1.08 -0.57 -4.87 116.67 115.46 1nyy s ASP 157 Ca 0.00 -1.74 0.15 0.00 -0.52 0.00 0.00 52.55 50.44 1nyy s ASP 157 Cb 0.00 -2.27 0.67 0.00 -1.46 0.00 0.00 42.92 39.86 1nyy s ASP 157 CO 0.00 -0.97 1.55 1.41 0.52 0.00 0.00 175.17 177.68 1nyy n HIS 158 N 5.72 1.48 -0.01 -5.34 8.25 -1.26 -2.76 115.22 121.30 1nyy n HIS 158 Ca -0.06 -0.56 -0.05 0.00 -0.26 0.00 0.00 57.72 56.79 1nyy n HIS 158 Cb 0.43 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 1nyy n HIS 158 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1nyy n VAL 159 N 0.85 0.57 -1.92 1.59 0.31 -1.26 -5.04 118.33 113.43 1nyy n VAL 159 Ca 0.23 0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 64.19 1nyy n VAL 159 Cb 0.89 -1.62 -0.01 0.00 -0.91 0.00 0.00 33.84 32.19 1nyy n VAL 159 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1nyy s THR 160 N -2.12 2.31 -0.13 2.52 2.01 -1.26 -4.79 115.64 114.18 1nyy s THR 160 Ca -0.07 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 1nyy s THR 160 Cb 0.02 -3.20 0.04 0.00 0.01 0.00 0.00 72.50 69.37 1nyy s THR 160 CO 0.09 0.07 0.34 0.00 -0.69 0.00 0.00 174.62 174.44 1nyy s ARG 161 N -1.83 0.38 -0.13 4.92 1.70 -0.80 -4.85 118.95 118.34 1nyy s ARG 161 Ca 0.52 0.51 0.00 0.00 -0.47 0.00 0.00 55.73 56.30 1nyy s ARG 161 Cb -0.44 0.15 -0.01 0.00 -0.57 0.00 0.00 34.95 34.07 1nyy s ARG 161 CO 0.58 -0.07 -0.14 -1.17 -1.08 0.00 0.00 175.30 173.42 1nyy s LEU 162 N 0.39 2.64 -0.02 -1.89 2.96 -1.26 -2.64 118.68 118.86 1nyy s LEU 162 Ca -0.02 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1nyy s LEU 162 Cb -0.04 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1nyy s LEU 162 CO -0.02 0.16 -0.01 0.47 -1.32 0.00 0.00 176.35 175.64 1nyy n ASP 163 N 3.54 4.18 -4.74 3.68 9.92 -1.26 -4.23 116.55 127.65 1nyy n ASP 163 Ca -0.18 -0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.74 1nyy n ASP 163 Cb 0.53 0.31 -0.07 0.00 -0.64 0.00 0.00 41.12 41.25 1nyy n ASP 163 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1nyy n ARG 164 N -2.28 0.74 -3.66 -1.24 1.74 -1.26 -4.83 116.66 105.87 1nyy n ARG 164 Ca -0.04 -3.77 -0.23 0.00 -0.77 0.00 0.00 57.85 53.04 1nyy n ARG 164 Cb 0.56 0.98 -0.01 0.00 -1.02 0.00 0.00 32.46 32.98 1nyy n ARG 164 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nyy s TRP 165 N -2.87 2.00 0.27 -1.55 0.52 -1.26 -4.72 118.94 111.33 1nyy s TRP 165 Ca 0.01 -0.70 -0.29 0.00 0.02 0.00 0.00 56.10 55.14 1nyy s TRP 165 Cb -0.00 -2.05 -0.09 0.00 -1.15 0.00 0.00 33.47 30.18 1nyy s TRP 165 CO 0.01 -0.43 1.01 -1.21 0.02 0.00 0.00 176.95 176.35 1nyy s GLU 166 N -4.27 4.73 0.00 4.98 0.41 -1.26 -2.07 118.70 121.21 1nyy s GLU 166 Ca 0.43 1.62 0.24 0.00 -0.41 0.00 0.00 54.97 56.85 1nyy s GLU 166 Cb -0.03 -3.20 0.25 0.00 -1.78 0.00 0.00 34.13 29.37 1nyy s GLU 166 CO 0.26 0.35 1.24 -0.35 -0.49 0.00 0.00 175.26 176.27 1nyy n PRO 167 N 1.27 0.49 0.16 0.39 -0.04 -1.26 -4.94 135.00 131.07 1nyy n PRO 167 Ca -0.01 -0.36 0.18 0.00 -0.04 0.00 0.00 63.50 63.27 1nyy n PRO 167 Cb 0.46 -1.49 0.79 0.00 -0.04 0.00 0.00 33.50 33.22 1nyy n PRO 167 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1nyy h GLU 168 N 0.88 0.00 0.00 0.54 3.07 -1.82 -2.05 114.58 115.19 1nyy h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nyy h GLU 168 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1nyy h GLU 168 CO 0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 1nyy n LEU 169 N -3.76 0.00 -0.88 1.33 -0.00 -0.88 -2.23 117.00 110.58 1nyy n LEU 169 Ca 0.04 0.34 0.12 0.00 -0.00 0.00 0.00 56.01 56.51 1nyy n LEU 169 Cb 0.46 -0.34 0.26 0.00 -0.00 0.00 0.00 43.42 43.80 1nyy n LEU 169 CO 0.27 -0.17 0.72 0.59 -0.00 0.00 0.00 177.39 178.81 1nyy n ASN 170 N -1.34 2.68 -0.08 1.45 3.02 -0.77 -4.56 115.26 115.65 1nyy n ASN 170 Ca 0.06 -1.87 0.22 0.00 -0.03 0.00 0.00 54.58 52.97 1nyy n ASN 170 Cb 0.13 -0.11 0.67 0.00 -0.61 0.00 0.00 39.78 39.87 1nyy n ASN 170 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1nyy h GLU 171 N 3.80 0.06 -6.68 3.52 5.08 -1.64 -1.16 114.58 117.56 1nyy h GLU 171 Ca 0.00 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1nyy h GLU 171 Cb 0.82 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.89 1nyy h GLU 171 CO 0.00 0.04 -0.84 0.00 -1.00 0.00 0.00 179.01 177.20 1nyy n ALA 172 N -2.65 -1.44 -1.76 3.43 0.00 -1.26 -4.57 120.51 112.26 1nyy n ALA 172 Ca 0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1nyy n ALA 172 Cb 0.72 -3.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 1nyy n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nyy s ILE 173 N -3.46 2.12 0.26 0.00 1.01 -1.26 -4.87 121.20 115.00 1nyy s ILE 173 Ca 0.56 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.99 1nyy s ILE 173 Cb -0.30 -3.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.98 1nyy s ILE 173 CO 0.92 0.01 1.45 -2.65 0.00 0.00 0.00 174.94 174.66 1nyy n PRO 174 N 3.52 2.22 -0.87 2.79 -0.02 -1.26 -1.62 135.00 139.75 1nyy n PRO 174 Ca 0.14 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1nyy n PRO 174 Cb 0.36 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1nyy n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nyy n ASN 175 N 2.02 -2.75 -4.67 2.55 3.02 -1.26 -4.98 115.26 109.20 1nyy n ASN 175 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1nyy n ASN 175 Cb 0.33 -1.94 -0.05 0.00 -0.61 0.00 0.00 39.78 37.52 1nyy n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nyy s ASP 176 N -2.17 6.87 0.22 6.41 2.15 -0.64 -4.93 116.67 124.58 1nyy s ASP 176 Ca 0.00 1.07 0.26 0.00 0.43 0.00 0.00 52.55 54.30 1nyy s ASP 176 Cb 0.00 -2.42 0.73 0.00 -0.30 0.00 0.00 42.92 40.93 1nyy s ASP 176 CO 0.00 -0.33 1.72 -0.33 -0.17 0.00 0.00 175.17 176.06 1nyy h GLU 177 N 7.32 0.00 -6.83 4.34 5.08 -1.93 -3.46 114.58 119.09 1nyy h GLU 177 Ca -0.31 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.48 1nyy h GLU 177 Cb 1.14 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.52 1nyy h GLU 177 CO 0.81 0.00 0.42 0.54 -1.00 0.00 0.00 179.01 179.78 1nyy n ARG 178 N -2.30 1.69 -4.14 2.33 1.74 -1.26 -2.93 116.66 111.79 1nyy n ARG 178 Ca 0.05 0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 57.41 1nyy n ARG 178 Cb 0.44 -2.34 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 1nyy n ARG 178 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nyy n ASP 179 N -0.04 -2.99 -4.60 0.55 8.00 -1.16 -4.92 116.55 111.39 1nyy n ASP 179 Ca 0.08 -0.98 -0.28 0.00 0.71 0.00 0.00 54.79 54.33 1nyy n ASP 179 Cb 0.41 -2.96 -0.10 0.00 -0.02 0.00 0.00 41.12 38.45 1nyy n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nyy s THR 180 N -3.41 1.72 0.35 -3.53 -4.23 -1.08 -1.99 115.64 103.47 1nyy s THR 180 Ca 0.60 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1nyy s THR 180 Cb -0.33 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.70 1nyy s THR 180 CO 0.91 0.00 0.61 0.28 -0.54 0.00 0.00 174.62 175.88 1nyy s THR 181 N -2.84 0.00 0.23 3.99 -1.32 -0.84 -1.91 115.64 112.95 1nyy s THR 181 Ca 0.31 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 1nyy s THR 181 Cb 0.09 -2.68 -0.05 0.00 -1.51 0.00 0.00 72.50 68.35 1nyy s THR 181 CO 0.16 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 172.80 1nyy s THR 182 N -2.86 2.17 0.20 5.08 -4.23 -1.26 -1.22 115.64 113.52 1nyy s THR 182 Ca 0.23 -2.25 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1nyy s THR 182 Cb -0.03 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.80 1nyy s THR 182 CO 0.15 -0.41 1.76 -0.65 -0.54 0.00 0.00 174.62 174.93 1nyy h PRO 183 N 2.59 0.43 -0.22 3.99 0.11 -1.63 -1.01 132.00 136.26 1nyy h PRO 183 Ca -0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1nyy h PRO 183 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1nyy h PRO 183 CO 0.58 0.29 0.07 0.00 -0.21 0.00 0.00 178.00 178.73 1nyy h ALA 184 N 1.39 0.29 -0.17 -0.75 0.00 -1.26 -1.76 119.26 117.00 1nyy h ALA 184 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nyy h ALA 184 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nyy h ALA 184 CO -0.27 -0.09 0.11 0.00 0.00 0.00 0.00 179.25 179.00 1nyy h ALA 185 N 0.90 0.21 -0.74 0.00 0.00 -1.69 -1.64 119.26 116.30 1nyy h ALA 185 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1nyy h ALA 185 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nyy h ALA 185 CO -0.00 -0.30 0.23 1.98 0.00 0.00 0.00 179.25 181.16 1nyy h MET 186 N 0.22 1.15 -0.20 0.00 -1.53 -1.20 -1.67 114.93 111.71 1nyy h MET 186 Ca 0.06 -0.25 -0.02 0.00 -3.44 0.00 0.00 59.70 56.05 1nyy h MET 186 Cb -0.02 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 30.86 1nyy h MET 186 CO -0.01 0.98 0.03 0.00 0.14 0.00 0.00 176.91 178.04 1nyy h ALA 187 N 1.14 0.26 -0.22 0.39 0.00 -1.13 -1.15 119.26 118.55 1nyy h ALA 187 Ca 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1nyy h ALA 187 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nyy h ALA 187 CO -0.01 -0.06 -0.29 1.79 0.00 0.00 0.00 179.25 180.68 1nyy h THR 188 N 0.12 1.27 -0.37 0.00 1.35 -1.26 -1.06 112.91 112.97 1nyy h THR 188 Ca 0.06 -1.33 -0.11 0.00 -0.55 0.00 0.00 66.41 64.48 1nyy h THR 188 Cb 0.33 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1nyy h THR 188 CO 0.00 0.42 -0.19 0.74 -0.25 0.00 0.00 175.52 176.24 1nyy h THR 189 N 0.38 1.28 -0.43 6.82 2.02 -1.22 -2.17 112.91 119.60 1nyy h THR 189 Ca 0.05 -1.32 -0.06 0.00 0.77 0.00 0.00 66.41 65.85 1nyy h THR 189 Cb 0.71 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1nyy h THR 189 CO 0.05 0.43 0.01 0.25 0.37 0.00 0.00 175.52 176.64 1nyy h LEU 190 N 0.56 0.73 -0.64 2.58 5.85 -1.09 0.21 115.31 123.51 1nyy h LEU 190 Ca 0.08 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.60 1nyy h LEU 190 Cb 0.74 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1nyy h LEU 190 CO 0.06 0.85 0.26 -0.09 -0.34 0.00 0.00 178.44 179.18 1nyy h ARG 191 N 0.59 0.45 -0.54 1.25 2.43 -1.11 -0.78 114.38 116.65 1nyy h ARG 191 Ca 0.12 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1nyy h ARG 191 Cb 0.46 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1nyy h ARG 191 CO 0.02 0.30 0.13 0.87 -1.51 0.00 0.00 179.97 179.77 1nyy h LYS 192 N 0.46 0.88 -0.85 0.20 1.57 -1.01 -1.00 116.57 116.82 1nyy h LYS 192 Ca 0.32 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1nyy h LYS 192 Cb 0.39 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1nyy h LYS 192 CO -0.30 0.83 0.55 -0.07 -0.57 0.00 0.00 179.45 179.89 1nyy h LEU 193 N 0.77 0.94 0.00 2.94 3.38 -0.04 0.16 115.31 123.47 1nyy h LEU 193 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nyy h LEU 193 Cb 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nyy h LEU 193 CO 0.00 0.66 -0.46 0.18 0.09 0.00 0.00 178.44 178.91 1nyy n LEU 194 N -4.53 0.51 0.00 1.67 4.77 -0.39 -4.48 117.00 114.56 1nyy n LEU 194 Ca 0.10 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1nyy n LEU 194 Cb 0.05 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1nyy n LEU 194 CO 0.35 0.04 0.00 0.35 -1.33 0.00 0.00 177.39 176.80 1nyy n THR 195 N -1.73 0.00 -1.86 -5.08 -2.24 -0.40 -5.00 114.28 97.98 1nyy n THR 195 Ca 0.05 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 1nyy n THR 195 Cb 0.37 1.07 0.15 0.00 -2.10 0.00 0.00 70.33 69.82 1nyy n THR 195 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nyy s GLY 196 N -0.05 1.69 0.00 3.38 0.00 0.56 -4.95 107.32 107.95 1nyy s GLY 196 Ca 0.00 -0.94 0.18 0.00 0.00 0.00 0.00 44.72 43.96 1nyy s GLY 196 CO 0.00 -0.28 1.51 1.18 0.00 0.00 0.00 173.10 175.51 1nyy n GLU 197 N -3.63 1.59 -0.26 2.90 1.02 -1.26 -4.11 120.64 116.88 1nyy n GLU 197 Ca 0.12 -0.89 -0.03 0.00 -0.02 0.00 0.00 57.16 56.34 1nyy n GLU 197 Cb 0.60 -1.34 0.09 0.00 -0.02 0.00 0.00 31.44 30.76 1nyy n GLU 197 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nyy h LEU 198 N 1.73 0.76 -9.45 -4.62 5.85 -1.92 -3.43 115.31 104.23 1nyy h LEU 198 Ca 0.00 -0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 1nyy h LEU 198 Cb 0.38 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.13 1nyy h LEU 198 CO 0.00 0.52 -0.68 -0.76 -0.34 0.00 0.00 178.44 177.19 1nyy s LEU 199 N -10.18 3.24 0.99 2.25 1.43 -1.26 -4.94 118.68 110.20 1nyy s LEU 199 Ca -0.13 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1nyy s LEU 199 Cb 0.16 -1.92 0.18 0.00 0.03 0.00 0.00 46.19 44.64 1nyy s LEU 199 CO 0.77 0.11 1.09 0.42 0.23 0.00 0.00 176.35 178.97 1nyy s THR 200 N -1.64 2.22 0.21 5.49 -4.23 -1.26 -4.73 115.64 111.70 1nyy s THR 200 Ca 0.26 0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1nyy s THR 200 Cb -0.10 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.37 1nyy s THR 200 CO 0.17 -0.09 1.75 0.25 -0.54 0.00 0.00 174.62 176.16 1nyy h LEU 201 N -1.87 1.07 -0.76 4.79 7.12 -1.97 -0.22 115.31 123.47 1nyy h LEU 201 Ca -0.54 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.26 1nyy h LEU 201 Cb 1.32 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 1nyy h LEU 201 CO 0.56 0.99 0.42 0.00 -0.13 0.00 0.00 178.44 180.28 1nyy h ALA 202 N 1.15 0.98 -0.22 1.25 0.00 -2.00 -1.90 119.26 118.52 1nyy h ALA 202 Ca 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nyy h ALA 202 Cb 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nyy h ALA 202 CO -0.01 0.49 -0.15 0.77 0.00 0.00 0.00 179.25 180.35 1nyy h SER 203 N 1.06 0.52 -0.57 0.00 0.02 -1.84 -2.03 113.55 110.70 1nyy h SER 203 Ca 0.27 -0.44 0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1nyy h SER 203 Cb 0.04 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.36 1nyy h SER 203 CO -0.04 0.85 0.16 0.03 -1.14 0.00 0.00 176.83 176.69 1nyy h ARG 204 N 0.19 0.31 -0.12 3.45 3.08 -0.85 -1.06 114.38 119.37 1nyy h ARG 204 Ca 0.04 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1nyy h ARG 204 Cb 0.67 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1nyy h ARG 204 CO 0.04 0.20 -0.39 0.37 -1.07 0.00 0.00 179.97 179.13 1nyy h GLN 205 N 0.32 0.27 -0.37 0.04 5.75 -1.31 -1.92 115.11 117.89 1nyy h GLN 205 Ca 0.29 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1nyy h GLN 205 Cb 0.39 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1nyy h GLN 205 CO -0.34 0.62 0.07 0.37 -2.65 0.00 0.00 178.83 176.91 1nyy h GLN 206 N 0.23 0.60 -0.20 1.69 5.75 -0.53 0.95 115.11 123.60 1nyy h GLN 206 Ca 0.02 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1nyy h GLN 206 Cb 0.79 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1nyy h GLN 206 CO 0.06 0.66 0.13 1.25 -2.65 0.00 0.00 178.83 178.27 1nyy h LEU 207 N 0.45 0.24 -0.89 -2.39 5.85 -1.00 -1.27 115.31 116.29 1nyy h LEU 207 Ca 0.11 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1nyy h LEU 207 Cb 0.34 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1nyy h LEU 207 CO 0.00 0.20 0.50 0.40 -0.34 0.00 0.00 178.44 179.21 1nyy h ILE 208 N 0.25 1.26 -0.52 4.05 2.04 -1.24 -1.54 117.51 121.81 1nyy h ILE 208 Ca 0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1nyy h ILE 208 Cb 0.00 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1nyy h ILE 208 CO -0.01 0.29 0.23 0.44 0.00 0.00 0.00 178.15 179.09 1nyy h ASP 209 N 1.25 0.66 -0.27 1.72 3.32 -0.36 0.38 116.42 123.12 1nyy h ASP 209 Ca 0.32 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.11 1nyy h ASP 209 Cb 0.01 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1nyy h ASP 209 CO -0.05 0.58 -0.57 -0.50 -1.72 0.00 0.00 179.24 176.98 1nyy h TRP 210 N 0.74 1.10 -0.14 4.55 6.55 -0.54 -2.79 115.95 125.42 1nyy h TRP 210 Ca 0.18 -0.40 -0.15 0.00 0.95 0.00 0.00 58.89 59.47 1nyy h TRP 210 Cb 0.11 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.19 1nyy h TRP 210 CO 0.01 1.24 -0.54 0.52 -1.05 0.00 0.00 178.44 178.62 1nyy h MET 211 N 0.65 0.41 0.00 0.49 2.86 -0.69 -2.80 114.93 115.85 1nyy h MET 211 Ca 0.01 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 1nyy h MET 211 Cb 1.18 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1nyy h MET 211 CO 0.13 0.85 -0.32 1.49 1.06 0.00 0.00 176.91 180.11 1nyy h GLU 212 N 0.32 0.00 -0.09 1.72 4.81 -0.24 -1.95 114.58 119.15 1nyy h GLU 212 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1nyy h GLU 212 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1nyy h GLU 212 CO 0.09 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.70 1nyy n ALA 213 N -2.40 2.56 -1.63 2.92 0.00 -1.06 -4.85 120.51 116.05 1nyy n ALA 213 Ca -0.02 -0.37 -0.60 0.00 0.00 0.00 0.00 53.44 52.45 1nyy n ALA 213 Cb 0.39 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 1nyy n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nyy n ASP 214 N -0.11 1.80 -0.89 0.00 2.03 -0.98 -4.81 116.55 113.58 1nyy n ASP 214 Ca 0.16 0.98 0.09 0.00 0.52 0.00 0.00 54.79 56.54 1nyy n ASP 214 Cb 0.24 -1.05 0.16 0.00 -0.72 0.00 0.00 41.12 39.75 1nyy n ASP 214 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1nyy n LYS 215 N 5.61 2.11 -0.01 -0.67 5.02 -0.23 -4.54 118.16 125.45 1nyy n LYS 215 Ca 0.33 -1.97 0.01 0.00 -2.02 0.00 0.00 58.31 54.66 1nyy n LYS 215 Cb 0.06 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1nyy n LYS 215 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1nyy n VAL 216 N 1.12 0.74 -0.90 -0.18 0.24 -1.24 -4.66 118.33 113.45 1nyy n VAL 216 Ca 0.15 -0.87 0.08 0.00 -2.04 0.00 0.00 64.34 61.66 1nyy n VAL 216 Cb 0.50 0.63 0.30 0.00 -1.47 0.00 0.00 33.84 33.81 1nyy n VAL 216 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nyy n ALA 217 N -0.29 3.22 -0.18 2.33 0.00 -1.26 -4.76 120.51 119.57 1nyy n ALA 217 Ca 0.01 -2.09 -0.01 0.00 0.00 0.00 0.00 53.44 51.35 1nyy n ALA 217 Cb 0.20 -0.84 0.08 0.00 0.00 0.00 0.00 19.45 18.89 1nyy n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nyy h GLY 218 N 2.60 0.59 0.45 0.00 0.00 -1.88 -1.88 103.07 102.95 1nyy h GLY 218 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1nyy h GLY 218 CO 0.29 -0.15 0.00 -1.55 0.00 0.00 0.00 176.54 175.13 1nyy n PRO 219 N -5.22 0.79 0.00 4.80 -0.04 -1.26 -2.77 135.00 131.29 1nyy n PRO 219 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1nyy n PRO 219 Cb 0.30 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1nyy n PRO 219 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nyy n LEU 220 N -0.72 0.00 -0.30 1.53 4.77 -0.70 -4.57 117.00 117.00 1nyy n LEU 220 Ca 0.08 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1nyy n LEU 220 Cb 0.04 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.38 1nyy n LEU 220 CO 0.06 0.00 1.25 -0.07 -1.33 0.00 0.00 177.39 177.30 1nyy h LEU 221 N 0.00 0.88 -2.17 2.23 3.38 -1.84 -2.14 115.31 115.66 1nyy h LEU 221 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1nyy h LEU 221 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1nyy h LEU 221 CO 0.00 0.56 0.21 0.03 0.09 0.00 0.00 178.44 179.32 1nyy h ARG 222 N 1.00 0.00 0.00 1.13 3.08 -1.75 -1.19 114.38 116.64 1nyy h ARG 222 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1nyy h ARG 222 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1nyy h ARG 222 CO -0.16 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.61 1nyy n SER 223 N -3.97 0.00 -0.18 7.04 3.41 -0.80 -2.56 113.62 116.56 1nyy n SER 223 Ca 0.02 0.27 0.02 0.00 -0.26 0.00 0.00 58.87 58.92 1nyy n SER 223 Cb 0.34 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1nyy n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nyy n ALA 224 N -1.41 2.46 -2.37 7.33 0.00 -0.47 -5.02 120.51 121.02 1nyy n ALA 224 Ca 0.08 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1nyy n ALA 224 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1nyy n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nyy s LEU 225 N -0.41 4.27 0.73 0.00 2.96 -1.06 -4.79 118.68 120.37 1nyy s LEU 225 Ca 0.05 1.88 -0.12 0.00 -0.22 0.00 0.00 54.13 55.72 1nyy s LEU 225 Cb 0.04 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.21 1nyy s LEU 225 CO 0.05 -0.68 1.10 -2.84 -1.32 0.00 0.00 176.35 172.67 1nyy s PRO 226 N 2.67 2.46 0.25 0.98 0.02 -1.26 -4.95 135.00 135.18 1nyy s PRO 226 Ca 0.58 1.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 1nyy s PRO 226 Cb -0.26 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.21 1nyy s PRO 226 CO 0.22 -1.49 1.45 0.00 -0.33 0.00 0.00 177.00 176.84 1nyy n ALA 227 N -3.10 1.46 0.00 -1.55 0.00 -1.26 -2.58 120.51 113.48 1nyy n ALA 227 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1nyy n ALA 227 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1nyy n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nyy n GLY 228 N 2.14 1.58 3.85 0.00 0.00 -1.26 -4.94 105.19 106.55 1nyy n GLY 228 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1nyy n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nyy s TRP 229 N -2.38 3.48 0.01 1.61 0.52 -1.06 -1.13 118.94 119.98 1nyy s TRP 229 Ca 0.00 1.41 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 1nyy s TRP 229 Cb 0.00 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1nyy s TRP 229 CO 0.00 -0.53 0.14 0.12 0.02 0.00 0.00 176.95 176.70 1nyy s PHE 230 N -2.80 3.42 -0.23 -1.98 2.19 0.25 -4.68 117.98 114.14 1nyy s PHE 230 Ca 0.58 0.26 -0.16 0.00 0.33 0.00 0.00 56.93 57.94 1nyy s PHE 230 Cb -0.11 -1.76 0.07 0.00 -1.31 0.00 0.00 43.02 39.91 1nyy s PHE 230 CO 0.39 0.59 0.59 -1.50 1.83 0.00 0.00 175.22 177.13 1nyy s ILE 231 N -1.32 -0.01 -0.10 3.12 2.07 -1.26 -2.23 121.20 121.47 1nyy s ILE 231 Ca 0.27 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.54 1nyy s ILE 231 Cb -0.12 -0.84 0.02 0.00 0.13 0.00 0.00 42.46 41.64 1nyy s ILE 231 CO 0.19 0.01 -0.10 0.00 -1.91 0.00 0.00 174.94 173.13 1nyy s ALA 232 N 1.12 1.37 0.35 1.50 0.00 -0.52 -4.40 121.76 121.18 1nyy s ALA 232 Ca -0.06 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1nyy s ALA 232 Cb -0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1nyy s ALA 232 CO -0.11 -0.23 0.43 0.16 0.00 0.00 0.00 175.76 176.01 1nyy s ASP 233 N 1.32 1.29 -0.30 0.00 1.47 -0.77 -1.44 116.67 118.25 1nyy s ASP 233 Ca -0.02 -1.63 -0.10 0.00 1.18 0.00 0.00 52.55 51.98 1nyy s ASP 233 Cb -0.14 0.65 0.13 0.00 -0.34 0.00 0.00 42.92 43.22 1nyy s ASP 233 CO -0.04 -1.25 0.65 -0.75 0.68 0.00 0.00 175.17 174.45 1nyy s LYS 234 N -3.06 0.58 0.54 2.11 2.47 -0.88 -4.62 119.74 116.89 1nyy s LYS 234 Ca 0.34 1.44 0.04 0.00 -1.56 0.00 0.00 55.97 56.24 1nyy s LYS 234 Cb 0.00 0.83 0.05 0.00 -1.46 0.00 0.00 37.83 37.25 1nyy s LYS 234 CO 0.24 -0.20 0.75 -1.54 0.16 0.00 0.00 175.35 174.76 1nyy s SER 235 N 2.83 5.21 -0.00 1.43 1.04 -1.26 -1.78 113.70 121.17 1nyy s SER 235 Ca -0.06 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 1nyy s SER 235 Cb -0.12 -0.46 0.03 0.00 0.10 0.00 0.00 66.02 65.57 1nyy s SER 235 CO -0.19 -1.18 0.39 -0.83 0.98 0.00 0.00 173.24 172.41 1nyy s GLY 236 N -4.50 -0.24 -0.06 7.32 0.00 -0.40 -3.61 107.32 105.84 1nyy s GLY 236 Ca 0.59 0.45 -0.07 0.00 0.00 0.00 0.00 44.72 45.69 1nyy s GLY 236 CO 0.38 0.20 0.19 0.00 0.00 0.00 0.00 173.10 173.87 1nyy s ALA 237 N -1.64 -0.46 0.00 3.20 0.00 -1.26 -1.80 121.76 119.80 1nyy s ALA 237 Ca -0.11 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1nyy s ALA 237 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1nyy s ALA 237 CO 0.03 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1nyy n GLY 238 N 2.73 3.80 3.85 0.00 0.00 -0.59 -4.59 105.19 110.39 1nyy n GLY 238 Ca -0.14 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1nyy n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nyy s GLU 240 N -1.15 1.66 -1.34 1.61 2.02 -0.44 -3.73 118.70 117.34 1nyy s GLU 240 Ca 0.00 0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.18 1nyy s GLU 240 Cb 0.00 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.34 1nyy s GLU 240 CO 0.00 -1.83 0.87 0.54 0.02 0.00 0.00 175.26 174.86 1nyy n ARG 241 N -3.50 -5.73 -0.99 1.61 1.74 -1.26 -2.25 116.66 106.27 1nyy n ARG 241 Ca 0.07 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1nyy n ARG 241 Cb 0.60 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 1nyy n ARG 241 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nyy n GLY 242 N -1.56 0.14 3.74 -0.13 0.00 -1.17 -0.23 105.19 105.98 1nyy n GLY 242 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1nyy n GLY 242 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nyy s SER 243 N -2.01 6.49 -0.12 1.61 0.01 -0.95 -4.47 113.70 114.25 1nyy s SER 243 Ca 0.00 2.82 -0.26 0.00 1.31 0.00 0.00 55.95 59.82 1nyy s SER 243 Cb 0.00 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.67 1nyy s SER 243 CO 0.00 -0.84 0.63 -0.60 0.41 0.00 0.00 173.24 172.85 1nyy s ARG 244 N -0.19 0.91 0.11 12.44 6.06 -0.75 -1.54 118.95 135.98 1nyy s ARG 244 Ca 0.63 0.47 -0.25 0.00 -2.50 0.00 0.00 55.73 54.08 1nyy s ARG 244 Cb -0.46 0.43 0.08 0.00 0.06 0.00 0.00 34.95 35.07 1nyy s ARG 244 CO 0.44 -0.22 1.11 0.20 -2.50 0.00 0.00 175.30 174.32 1nyy s GLY 245 N -0.60 -0.06 -0.17 8.12 0.00 -0.75 -1.25 107.32 112.61 1nyy s GLY 245 Ca -0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.32 1nyy s GLY 245 CO 0.06 2.32 0.82 -1.50 0.00 0.00 0.00 173.10 174.80 1nyy s ILE 246 N -2.36 0.00 0.06 0.90 2.07 0.50 -1.27 121.20 121.10 1nyy s ILE 246 Ca 0.21 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.52 1nyy s ILE 246 Cb -0.01 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.55 1nyy s ILE 246 CO 0.02 0.00 -0.20 0.27 -1.91 0.00 0.00 174.94 173.12 1nyy s ILE 247 N -0.50 1.61 -0.06 2.00 -4.36 -0.73 -0.81 121.20 118.34 1nyy s ILE 247 Ca -0.04 -1.29 -0.29 0.00 -0.26 0.00 0.00 60.65 58.77 1nyy s ILE 247 Cb -0.02 -1.43 0.10 0.00 1.25 0.00 0.00 42.46 42.36 1nyy s ILE 247 CO 0.03 0.09 0.86 0.00 0.24 0.00 0.00 174.94 176.16 1nyy s ALA 248 N -0.93 -1.84 -0.14 2.27 0.00 0.08 -2.07 121.76 119.13 1nyy s ALA 248 Ca 0.06 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1nyy s ALA 248 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1nyy s ALA 248 CO 0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 175.76 175.12 1nyy s ALA 249 N -1.91 2.35 0.18 0.00 0.00 -0.52 -0.56 121.76 121.30 1nyy s ALA 249 Ca -0.02 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1nyy s ALA 249 Cb -0.01 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 1nyy s ALA 249 CO -0.01 0.01 0.35 -0.48 0.00 0.00 0.00 175.76 175.63 1nyy s LEU 250 N 0.76 0.71 0.00 0.00 2.34 -0.48 -1.44 118.68 120.57 1nyy s LEU 250 Ca -0.08 -0.81 0.00 0.00 0.06 0.00 0.00 54.13 53.31 1nyy s LEU 250 Cb -0.16 1.43 0.00 0.00 -0.56 0.00 0.00 46.19 46.91 1nyy s LEU 250 CO -0.00 -0.95 0.00 0.61 -1.06 0.00 0.00 176.35 174.95 1nyy n GLY 251 N -0.26 1.31 3.74 -3.48 0.00 -0.95 -0.79 105.19 104.77 1nyy n GLY 251 Ca -0.07 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1nyy n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nyy s PRO 252 N -2.00 1.01 -1.56 1.61 0.04 -1.24 -0.58 135.00 132.27 1nyy s PRO 252 Ca 0.00 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.37 1nyy s PRO 252 Cb 0.00 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.82 1nyy s PRO 252 CO 0.00 -2.32 0.81 -0.25 0.04 0.00 0.00 177.00 175.28 1nyy n ASP 254 N -3.88 -3.35 -0.04 6.66 8.00 -1.22 -2.41 116.55 120.31 1nyy n ASP 254 Ca 0.06 -0.90 -0.01 0.00 0.71 0.00 0.00 54.79 54.66 1nyy n ASP 254 Cb 0.58 -3.38 -0.00 0.00 -0.02 0.00 0.00 41.12 38.30 1nyy n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nyy n GLY 255 N -1.62 0.28 3.00 0.44 0.00 -0.28 -4.96 105.19 102.05 1nyy n GLY 255 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1nyy n GLY 255 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nyy s LYS 256 N -1.19 0.61 0.34 1.61 -2.85 -1.01 -4.74 119.74 112.52 1nyy s LYS 256 Ca 0.00 -0.31 -0.27 0.00 -1.00 0.00 0.00 55.97 54.40 1nyy s LYS 256 Cb 0.00 -0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 35.09 1nyy s LYS 256 CO 0.00 0.16 1.04 -1.25 0.10 0.00 0.00 175.35 175.40 1nyy s PRO 257 N -0.28 4.44 0.00 1.78 0.04 -1.26 -3.57 135.00 136.15 1nyy s PRO 257 Ca 0.02 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1nyy s PRO 257 Cb -0.03 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1nyy s PRO 257 CO -0.00 0.09 0.04 -1.13 0.04 0.00 0.00 177.00 176.04 1nyy n SER 258 N 0.55 0.08 -3.83 6.66 3.41 0.03 -4.84 113.62 115.68 1nyy n SER 258 Ca 0.02 -0.54 -0.09 0.00 -0.26 0.00 0.00 58.87 57.99 1nyy n SER 258 Cb 0.48 0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1nyy n SER 258 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1nyy s ARG 259 N -0.08 0.85 -0.04 4.33 0.52 -0.81 -1.77 118.95 121.94 1nyy s ARG 259 Ca 0.00 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 1nyy s ARG 259 Cb 0.00 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 1nyy s ARG 259 CO 0.00 -0.27 -0.23 0.42 0.02 0.00 0.00 175.30 175.24 1nyy s ILE 260 N -3.68 2.26 -0.04 1.52 1.01 0.62 -1.39 121.20 121.51 1nyy s ILE 260 Ca 0.03 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1nyy s ILE 260 Cb 0.04 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1nyy s ILE 260 CO -0.10 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 1nyy s VAL 261 N -0.45 1.09 -0.05 2.92 1.01 0.27 -0.15 120.40 125.04 1nyy s VAL 261 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1nyy s VAL 261 Cb -0.12 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1nyy s VAL 261 CO 0.01 0.33 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 1nyy s VAL 262 N 0.22 0.65 -0.05 2.92 1.01 -0.77 -0.74 120.40 123.64 1nyy s VAL 262 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1nyy s VAL 262 Cb -0.11 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1nyy s VAL 262 CO 0.02 0.25 -0.04 -0.63 0.00 0.00 0.00 175.10 174.69 1nyy s ILE 263 N 0.85 0.52 0.05 2.22 1.01 0.01 -2.22 121.20 123.65 1nyy s ILE 263 Ca -0.12 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1nyy s ILE 263 Cb -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1nyy s ILE 263 CO 0.01 0.22 -0.08 -0.31 0.00 0.00 0.00 174.94 174.78 1nyy s TYR 264 N 0.97 0.73 -0.03 3.97 2.02 -0.42 -0.37 117.35 124.22 1nyy s TYR 264 Ca -0.10 -0.57 -0.19 0.00 -0.37 0.00 0.00 57.07 55.84 1nyy s TYR 264 Cb -0.14 -0.43 0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1nyy s TYR 264 CO -0.00 -0.09 0.40 -0.08 -1.57 0.00 0.00 175.55 174.21 1nyy s THR 265 N -1.78 0.04 -0.05 -0.71 -1.32 -0.38 0.41 115.64 111.85 1nyy s THR 265 Ca -0.06 -0.34 -0.27 0.00 -1.21 0.00 0.00 61.69 59.81 1nyy s THR 265 Cb -0.07 -0.71 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1nyy s THR 265 CO -0.00 -0.19 0.60 0.28 -2.21 0.00 0.00 174.62 173.10 1nyy s THR 266 N -1.24 0.01 0.00 5.08 -1.32 -1.18 -1.81 115.64 115.18 1nyy s THR 266 Ca -0.12 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1nyy s THR 266 Cb -0.04 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1nyy s THR 266 CO 0.06 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1nyy n GLY 267 N 1.08 1.98 3.80 6.08 0.00 0.67 -3.53 105.19 115.27 1nyy n GLY 267 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1nyy n GLY 267 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nyy s SER 268 N -1.53 6.19 0.00 1.61 0.15 -1.24 -4.84 113.70 114.05 1nyy s SER 268 Ca 0.00 1.87 0.18 0.00 0.70 0.00 0.00 55.95 58.70 1nyy s SER 268 Cb 0.00 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 62.03 1nyy s SER 268 CO 0.00 -0.88 1.20 0.00 1.20 0.00 0.00 173.24 174.76 1nyy n GLN 269 N -1.33 1.99 -1.87 5.44 6.02 -1.26 -3.06 117.38 123.31 1nyy n GLN 269 Ca 0.09 -1.88 -0.34 0.00 -0.01 0.00 0.00 57.00 54.86 1nyy n GLN 269 Cb 0.53 -1.38 0.04 0.00 1.02 0.00 0.00 30.24 30.44 1nyy n GLN 269 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nyy s ALA 270 N -1.33 2.50 0.80 -1.58 0.00 -1.26 -5.01 121.76 115.88 1nyy s ALA 270 Ca 0.27 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1nyy s ALA 270 Cb 0.17 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 20.02 1nyy s ALA 270 CO 0.24 -1.19 1.11 0.95 0.00 0.00 0.00 175.76 176.87 1nyy s THR 271 N -2.13 2.95 0.24 0.00 -4.23 -1.26 -4.79 115.64 106.42 1nyy s THR 271 Ca 0.70 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 61.48 1nyy s THR 271 Cb -0.23 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 71.13 1nyy s THR 271 CO 0.38 -0.39 1.76 -0.03 -0.54 0.00 0.00 174.62 175.80 1nyy h MET 272 N -1.22 0.55 -0.63 3.99 4.05 -1.99 -0.72 114.93 118.97 1nyy h MET 272 Ca -0.44 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1nyy h MET 272 Cb 1.24 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.89 1nyy h MET 272 CO 0.49 0.37 0.38 -0.44 0.23 0.00 0.00 176.91 177.93 1nyy h ASP 273 N 0.57 0.75 -0.42 1.39 3.32 -1.99 -0.28 116.42 119.76 1nyy h ASP 273 Ca 0.40 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1nyy h ASP 273 Cb 0.51 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1nyy h ASP 273 CO -0.33 0.59 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.34 1nyy h GLU 274 N 0.85 0.88 -0.47 3.56 5.08 -1.68 -1.75 114.58 121.06 1nyy h GLU 274 Ca 0.22 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1nyy h GLU 274 Cb -0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1nyy h GLU 274 CO -0.04 0.95 0.02 0.00 -1.00 0.00 0.00 179.01 178.94 1nyy h ARG 275 N 0.79 0.82 -0.40 2.33 3.08 -0.87 -2.50 114.38 117.63 1nyy h ARG 275 Ca 0.13 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1nyy h ARG 275 Cb 0.64 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1nyy h ARG 275 CO 0.04 0.86 0.23 -0.91 -1.07 0.00 0.00 179.97 179.13 1nyy h ASN 276 N 0.68 0.38 -0.80 7.04 2.35 -0.81 -2.76 115.58 121.66 1nyy h ASN 276 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1nyy h ASN 276 Cb 0.48 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1nyy h ASN 276 CO 0.02 0.27 0.48 0.03 -1.65 0.00 0.00 177.43 176.58 1nyy h ARG 277 N 0.47 1.08 -0.73 0.81 3.08 -1.22 -0.22 114.38 117.66 1nyy h ARG 277 Ca 0.16 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1nyy h ARG 277 Cb 0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1nyy h ARG 277 CO -0.07 0.76 0.36 1.96 -1.07 0.00 0.00 179.97 181.91 1nyy h GLN 278 N 1.09 1.04 -0.33 0.04 1.08 -1.22 0.32 115.11 117.13 1nyy h GLN 278 Ca 0.29 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.24 1nyy h GLN 278 Cb -0.04 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 1nyy h GLN 278 CO -0.05 0.79 -0.23 0.82 -0.95 0.00 0.00 178.83 179.21 1nyy h ILE 279 N 1.03 1.29 -0.61 2.54 2.04 -1.18 -0.47 117.51 122.16 1nyy h ILE 279 Ca 0.25 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1nyy h ILE 279 Cb 0.09 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1nyy h ILE 279 CO -0.03 0.45 0.32 0.00 0.00 0.00 0.00 178.15 178.88 1nyy h ALA 280 N 0.75 0.78 -0.30 1.87 0.00 -0.52 -0.60 119.26 121.24 1nyy h ALA 280 Ca 0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1nyy h ALA 280 Cb 0.79 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1nyy h ALA 280 CO 0.06 0.32 -0.19 0.93 0.00 0.00 0.00 179.25 180.37 1nyy h GLU 281 N 0.83 0.56 -0.56 0.00 4.39 -0.22 0.26 114.58 119.83 1nyy h GLU 281 Ca 0.21 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1nyy h GLU 281 Cb 0.08 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1nyy h GLU 281 CO -0.03 0.72 0.24 0.82 -1.16 0.00 0.00 179.01 179.60 1nyy h ILE 282 N 0.50 1.22 -0.41 3.13 2.04 -0.62 -1.49 117.51 121.87 1nyy h ILE 282 Ca 0.08 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1nyy h ILE 282 Cb 0.62 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1nyy h ILE 282 CO 0.04 0.26 0.26 1.23 0.00 0.00 0.00 178.15 179.94 1nyy h GLY 283 N 0.76 0.58 0.66 5.37 0.00 -0.22 -1.13 103.07 109.09 1nyy h GLY 283 Ca 0.19 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1nyy h GLY 283 CO -0.02 0.19 0.64 0.00 0.00 0.00 0.00 176.54 177.34 1nyy h ALA 284 N 1.17 1.42 -0.23 3.60 0.00 -0.11 -1.80 119.26 123.31 1nyy h ALA 284 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1nyy h ALA 284 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1nyy h ALA 284 CO -0.06 0.37 -0.20 1.03 0.00 0.00 0.00 179.25 180.39 1nyy h SER 285 N 1.11 0.57 0.27 0.00 0.87 -0.58 -0.90 113.55 114.89 1nyy h SER 285 Ca 0.45 -0.46 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1nyy h SER 285 Cb 0.26 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1nyy h SER 285 CO -0.20 0.92 -0.26 0.17 -0.53 0.00 0.00 176.83 176.93 1nyy h LEU 286 N 0.23 0.00 -0.07 2.23 8.10 -0.89 -1.22 115.31 123.70 1nyy h LEU 286 Ca 0.04 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.82 1nyy h LEU 286 Cb 0.74 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.98 1nyy h LEU 286 CO 0.05 0.26 -0.76 0.40 -4.11 0.00 0.00 178.44 174.28 1nyy h ILE 287 N 0.00 1.33 -0.74 0.15 1.08 -1.27 -2.58 117.51 115.48 1nyy h ILE 287 Ca -0.00 -2.04 0.02 0.00 -0.39 0.00 0.00 64.86 62.44 1nyy h ILE 287 Cb 0.46 2.27 -0.04 0.00 -3.07 0.00 0.00 36.82 36.44 1nyy h ILE 287 CO 0.03 0.63 0.48 0.50 -0.69 0.00 0.00 178.15 179.10 1nyy h LYS 288 N 0.28 0.94 -0.65 2.37 3.64 -0.52 -2.79 116.57 119.84 1nyy h LYS 288 Ca -0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1nyy h LYS 288 Cb 1.42 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1nyy h LYS 288 CO 0.15 0.62 0.00 0.72 -2.27 0.00 0.00 179.45 178.67 1nyy n HIS 289 N -4.60 1.74 0.00 1.91 8.25 -0.52 -5.10 115.22 116.90 1nyy n HIS 289 Ca 0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 1nyy n HIS 289 Cb 0.04 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1nyy n HIS 289 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85