#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a9s s LYS 3 N 0.00 4.57 -0.07 0.00 2.47 -1.26 -0.47 119.74 124.98 3a9s s LYS 3 Ca 0.00 1.89 -0.30 0.00 -1.56 0.00 0.00 55.97 56.00 3a9s s LYS 3 Cb 0.00 -3.17 -0.03 0.00 -1.46 0.00 0.00 37.83 33.16 3a9s s LYS 3 CO 0.00 0.10 1.24 0.34 0.16 0.00 0.00 175.35 177.19 3a9s s ASP 4 N -0.67 7.01 0.22 1.43 -1.08 -0.72 -4.67 116.67 118.18 3a9s s ASP 4 Ca 0.46 1.83 0.21 0.00 -0.52 0.00 0.00 52.55 54.54 3a9s s ASP 4 Cb -0.33 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.49 3a9s s ASP 4 CO 0.43 -0.63 1.64 -0.81 0.52 0.00 0.00 175.17 176.32 3a9s n PRO 5 N 5.48 0.15 0.00 4.34 -0.04 -1.26 -3.93 135.00 139.74 3a9s n PRO 5 Ca 0.12 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3a9s n PRO 5 Cb 0.46 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3a9s n PRO 5 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a9s n ARG 6 N -2.10 2.71 -4.24 0.54 1.74 -1.26 -5.09 116.66 108.96 3a9s n ARG 6 Ca 0.02 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.87 3a9s n ARG 6 Cb 0.19 -0.95 -0.07 0.00 -1.02 0.00 0.00 32.46 30.61 3a9s n ARG 6 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3a9s s TYR 7 N -1.91 2.76 0.34 -1.55 1.51 -1.25 -4.91 117.35 112.34 3a9s s TYR 7 Ca 0.00 -0.23 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 3a9s s TYR 7 Cb 0.00 -1.30 -0.12 0.00 -0.11 0.00 0.00 41.96 40.44 3a9s s TYR 7 CO 0.00 0.56 1.43 0.28 -1.11 0.00 0.00 175.55 176.71 3a9s n VAL 8 N -0.98 1.75 -2.33 0.71 0.31 -1.26 -4.45 118.33 112.08 3a9s n VAL 8 Ca -0.06 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3a9s n VAL 8 Cb 0.59 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3a9s n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a9s n GLY 9 N 0.99 -1.87 3.73 2.92 0.00 -1.26 -4.92 105.19 104.78 3a9s n GLY 9 Ca 0.04 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 3a9s n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a9s s ASN 10 N -4.00 5.03 0.39 1.61 0.01 -1.26 -1.75 114.94 114.96 3a9s s ASN 10 Ca 0.00 -0.41 -0.26 0.00 -0.71 0.00 0.00 52.86 51.48 3a9s s ASN 10 Cb 0.00 -1.13 -0.09 0.00 0.41 0.00 0.00 41.25 40.44 3a9s s ASN 10 CO 0.00 0.01 1.23 -0.76 -1.51 0.00 0.00 177.10 176.06 3a9s s LEU 11 N -3.57 4.25 0.35 0.60 1.43 0.38 -4.72 118.68 117.41 3a9s s LEU 11 Ca 0.31 2.49 -0.28 0.00 -1.03 0.00 0.00 54.13 55.62 3a9s s LEU 11 Cb -0.08 -3.91 -0.12 0.00 0.03 0.00 0.00 46.19 42.11 3a9s s LEU 11 CO 0.22 -0.68 1.35 -2.65 0.23 0.00 0.00 176.35 174.82 3a9s n PRO 12 N 0.25 2.29 -4.15 1.29 -0.02 -1.26 -4.61 135.00 128.80 3a9s n PRO 12 Ca 0.03 0.80 -0.22 0.00 -2.02 0.00 0.00 63.50 62.09 3a9s n PRO 12 Cb 0.45 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3a9s n PRO 12 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a9s s LYS 13 N -1.89 2.65 -0.21 -0.52 1.02 -0.88 -4.67 119.74 115.25 3a9s s LYS 13 Ca 0.55 -1.24 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 3a9s s LYS 13 Cb -0.54 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3a9s s LYS 13 CO 0.62 0.34 0.02 0.42 -0.92 0.00 0.00 175.35 175.83 3a9s s ILE 14 N -2.24 4.12 -0.11 2.17 1.01 -0.65 -0.44 121.20 125.07 3a9s s ILE 14 Ca 0.33 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 3a9s s ILE 14 Cb -0.07 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 3a9s s ILE 14 CO 0.23 0.42 0.30 -0.83 0.00 0.00 0.00 174.94 175.06 3a9s s GLY 15 N 1.03 2.27 -0.19 6.18 0.00 0.13 -0.42 107.32 116.31 3a9s s GLY 15 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 3a9s s GLY 15 CO 0.02 0.25 -0.02 -0.42 0.00 0.00 0.00 173.10 172.94 3a9s s ILE 16 N -0.12 3.81 -0.44 0.90 -1.09 0.52 -0.38 121.20 124.41 3a9s s ILE 16 Ca 0.18 -0.36 -0.05 0.00 -2.23 0.00 0.00 60.65 58.19 3a9s s ILE 16 Cb -0.14 -2.71 0.12 0.00 -1.58 0.00 0.00 42.46 38.14 3a9s s ILE 16 CO 0.06 0.44 0.26 -0.13 -1.23 0.00 0.00 174.94 174.35 3a9s s ARG 17 N 0.96 2.18 -0.48 2.79 0.52 0.12 -2.21 118.95 122.84 3a9s s ARG 17 Ca 0.01 -1.85 -0.27 0.00 -0.52 0.00 0.00 55.73 53.10 3a9s s ARG 17 Cb -0.14 -3.70 0.03 0.00 0.52 0.00 0.00 34.95 31.65 3a9s s ARG 17 CO 0.01 -1.12 1.04 -1.25 0.02 0.00 0.00 175.30 174.01 3a9s s PRO 18 N 1.14 3.60 0.17 3.54 0.04 -1.26 -1.04 135.00 141.19 3a9s s PRO 18 Ca 0.08 0.32 -0.04 0.00 0.04 0.00 0.00 61.00 61.41 3a9s s PRO 18 Cb -0.24 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 3a9s s PRO 18 CO -0.03 -1.35 0.40 0.95 0.04 0.00 0.00 177.00 177.01 3a9s s THR 19 N 4.17 5.16 0.17 1.26 -4.23 -0.48 0.28 115.64 121.98 3a9s s THR 19 Ca 0.42 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.76 3a9s s THR 19 Cb -0.09 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 3a9s s THR 19 CO 0.28 -0.06 0.31 -0.51 -0.54 0.00 0.00 174.62 174.11 3a9s s ILE 20 N -1.76 0.06 0.15 2.99 2.07 -0.15 -4.56 121.20 120.00 3a9s s ILE 20 Ca 0.41 -1.35 -0.31 0.00 -1.41 0.00 0.00 60.65 57.99 3a9s s ILE 20 Cb -0.12 -1.85 -0.08 0.00 0.13 0.00 0.00 42.46 40.54 3a9s s ILE 20 CO 0.26 -0.26 1.36 -0.62 -1.91 0.00 0.00 174.94 173.78 3a9s s ASP 21 N -2.97 6.84 0.39 4.50 -1.08 -1.09 -4.03 116.67 119.24 3a9s s ASP 21 Ca 0.17 2.37 0.28 0.00 -0.52 0.00 0.00 52.55 54.85 3a9s s ASP 21 Cb 0.03 -2.60 1.04 0.00 -1.46 0.00 0.00 42.92 39.93 3a9s s ASP 21 CO 0.00 -0.61 1.82 1.23 0.52 0.00 0.00 175.17 178.13 3a9s h GLY 22 N 6.20 0.00 -5.07 2.66 0.00 -1.85 -3.39 103.07 101.62 3a9s h GLY 22 Ca -0.43 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.36 3a9s h GLY 22 CO 0.83 0.00 1.06 0.50 0.00 0.00 0.00 176.54 178.93 3a9s s ARG 23 N -3.42 4.18 0.00 4.80 0.52 -1.26 -4.89 118.95 118.87 3a9s s ARG 23 Ca 0.04 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 3a9s s ARG 23 Cb 0.09 -3.76 0.00 0.00 0.52 0.00 0.00 34.95 31.80 3a9s s ARG 23 CO 0.51 -0.80 0.00 0.54 0.02 0.00 0.00 175.30 175.57 3a9s n ARG 24 N 6.20 2.09 -3.86 3.54 1.74 -1.26 -0.53 116.66 124.58 3a9s n ARG 24 Ca 0.17 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.98 3a9s n ARG 24 Cb 0.41 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.87 3a9s n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3a9s n LYS 25 N -0.30 -5.02 0.00 5.56 4.76 -1.26 -4.13 118.16 117.77 3a9s n LYS 25 Ca 0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 3a9s n LYS 25 Cb 0.00 -5.28 0.00 0.00 -1.84 0.00 0.00 35.03 27.91 3a9s n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a9s n GLY 26 N -1.67 0.68 0.06 0.72 0.00 -1.26 -5.02 105.19 98.71 3a9s n GLY 26 Ca -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 3a9s n GLY 26 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3a9s h VAL 27 N 0.00 0.00 -0.42 1.61 2.07 -1.72 -2.86 116.25 114.94 3a9s h VAL 27 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3a9s h VAL 27 Cb 0.00 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 3a9s h VAL 27 CO 0.00 0.00 0.01 -0.09 0.02 0.00 0.00 177.57 177.51 3a9s h ARG 28 N -0.11 0.12 -0.69 1.57 2.43 -1.00 -1.92 114.38 114.77 3a9s h ARG 28 Ca -0.01 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 3a9s h ARG 28 Cb 0.10 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3a9s h ARG 28 CO -0.02 0.08 0.46 0.93 -1.51 0.00 0.00 179.97 179.91 3a9s h GLU 29 N 0.12 0.42 -0.00 0.20 3.07 -1.81 0.45 114.58 117.04 3a9s h GLU 29 Ca 0.21 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3a9s h GLU 29 Cb 0.29 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3a9s h GLU 29 CO -0.33 0.28 -0.01 -1.13 -1.40 0.00 0.00 179.01 176.41 3a9s n SER 30 N -4.48 0.03 -0.00 1.42 3.41 -0.74 -3.72 113.62 109.55 3a9s n SER 30 Ca 0.12 0.04 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 3a9s n SER 30 Cb 0.45 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3a9s n SER 30 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a9s n LEU 31 N -1.34 0.22 -0.07 1.04 4.77 0.05 -4.78 117.00 116.89 3a9s n LEU 31 Ca 0.12 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.54 3a9s n LEU 31 Cb 0.28 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3a9s n LEU 31 CO 0.25 0.05 0.50 -0.33 -1.33 0.00 0.00 177.39 176.53 3a9s h GLU 32 N 0.00 -0.44 -0.31 3.23 4.39 -1.38 -0.57 114.58 119.50 3a9s h GLU 32 Ca 0.00 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3a9s h GLU 32 Cb 0.15 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3a9s h GLU 32 CO 0.00 -0.30 0.19 1.49 -1.16 0.00 0.00 179.01 179.24 3a9s h GLU 33 N -0.46 0.42 -0.68 2.33 4.81 -1.87 -1.49 114.58 117.64 3a9s h GLU 33 Ca 0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3a9s h GLU 33 Cb 0.60 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 3a9s h GLU 33 CO -0.49 0.31 0.44 1.15 -0.73 0.00 0.00 179.01 179.69 3a9s h THR 34 N 0.41 1.15 -0.19 0.32 2.02 -1.82 0.06 112.91 114.86 3a9s h THR 34 Ca 0.11 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3a9s h THR 34 Cb -0.01 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3a9s h THR 34 CO -0.02 0.16 -0.08 0.74 0.37 0.00 0.00 175.52 176.69 3a9s h THR 35 N 0.89 1.31 -0.38 3.16 2.02 -0.97 -1.98 112.91 116.96 3a9s h THR 35 Ca 0.26 -1.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.23 3a9s h THR 35 Cb -0.07 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3a9s h THR 35 CO -0.07 0.34 -0.08 -0.03 0.37 0.00 0.00 175.52 176.05 3a9s h MET 36 N 0.09 0.64 -0.22 6.66 -1.53 -1.15 -2.18 114.93 117.24 3a9s h MET 36 Ca 0.04 -0.18 -0.07 0.00 -3.44 0.00 0.00 59.70 56.05 3a9s h MET 36 Cb 0.56 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.53 3a9s h MET 36 CO 0.03 0.71 -0.17 -0.91 0.14 0.00 0.00 176.91 176.71 3a9s h ASN 37 N 0.59 0.37 -0.45 1.39 -0.26 -0.90 -1.38 115.58 114.95 3a9s h ASN 37 Ca 0.11 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 3a9s h ASN 37 Cb 0.49 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 3a9s h ASN 37 CO 0.03 0.56 0.23 -0.03 -1.06 0.00 0.00 177.43 177.16 3a9s h MET 38 N 0.35 0.64 -0.57 0.81 4.05 -0.74 0.28 114.93 119.75 3a9s h MET 38 Ca 0.06 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3a9s h MET 38 Cb 0.51 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 3a9s h MET 38 CO 0.03 0.53 0.30 0.00 0.23 0.00 0.00 176.91 178.00 3a9s h ALA 39 N 1.07 0.73 -0.34 0.39 0.00 -1.01 -2.21 119.26 117.89 3a9s h ALA 39 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3a9s h ALA 39 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3a9s h ALA 39 CO -0.02 0.26 -0.10 0.87 0.00 0.00 0.00 179.25 180.26 3a9s h LYS 40 N 0.77 0.58 -0.71 0.00 1.57 -0.92 -2.13 116.57 115.73 3a9s h LYS 40 Ca 0.20 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3a9s h LYS 40 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3a9s h LYS 40 CO -0.03 0.67 0.19 0.00 -0.57 0.00 0.00 179.45 179.71 3a9s h ALA 41 N 1.36 0.93 -0.47 3.86 0.00 -0.55 -1.49 119.26 122.91 3a9s h ALA 41 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3a9s h ALA 41 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3a9s h ALA 41 CO 0.03 0.63 -0.06 0.28 0.00 0.00 0.00 179.25 180.13 3a9s h VAL 42 N 1.05 1.27 -0.84 0.00 2.07 -1.11 -1.29 116.25 117.41 3a9s h VAL 42 Ca 0.22 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3a9s h VAL 42 Cb 0.34 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3a9s h VAL 42 CO -0.00 0.40 0.55 0.00 0.02 0.00 0.00 177.57 178.54 3a9s h ALA 43 N 0.89 1.06 -0.12 1.67 0.00 -1.16 -1.06 119.26 120.54 3a9s h ALA 43 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a9s h ALA 43 Cb 0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3a9s h ALA 43 CO 0.04 0.48 0.06 -0.22 0.00 0.00 0.00 179.25 179.60 3a9s h LYS 44 N 1.14 0.18 -0.21 0.00 3.64 -1.02 -1.60 116.57 118.69 3a9s h LYS 44 Ca 0.31 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3a9s h LYS 44 Cb -0.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3a9s h LYS 44 CO -0.06 0.25 0.03 1.25 -2.27 0.00 0.00 179.45 178.64 3a9s h LEU 45 N 0.06 -0.01 -0.76 5.20 5.85 -0.86 -2.62 115.31 122.17 3a9s h LEU 45 Ca 0.04 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3a9s h LEU 45 Cb 0.13 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3a9s h LEU 45 CO -0.00 0.02 0.17 -0.07 -0.34 0.00 0.00 178.44 178.22 3a9s h LEU 46 N 0.11 1.05 -1.81 2.25 3.38 -1.13 -2.46 115.31 116.69 3a9s h LEU 46 Ca 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a9s h LEU 46 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3a9s h LEU 46 CO -0.14 1.00 0.00 -0.33 0.09 0.00 0.00 178.44 179.07 3a9s h GLU 47 N 1.06 0.00 -0.00 1.13 5.08 -1.08 0.30 114.58 121.07 3a9s h GLU 47 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3a9s h GLU 47 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3a9s h GLU 47 CO 0.00 0.00 -0.84 0.39 -1.00 0.00 0.00 179.01 177.56 3a9s n GLU 48 N -2.94 0.23 0.00 2.33 1.02 -0.98 -4.55 120.64 115.76 3a9s n GLU 48 Ca -0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3a9s n GLU 48 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3a9s n GLU 48 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a9s n ASN 49 N -1.22 0.51 -4.05 1.62 3.02 -0.91 -5.03 115.26 109.20 3a9s n ASN 49 Ca 0.05 -0.24 -0.30 0.00 -0.03 0.00 0.00 54.58 54.07 3a9s n ASN 49 Cb 0.36 0.58 -0.17 0.00 -0.61 0.00 0.00 39.78 39.94 3a9s n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a9s s VAL 50 N -0.68 1.59 0.07 2.41 1.01 0.10 -5.06 120.40 119.84 3a9s s VAL 50 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3a9s s VAL 50 Cb 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3a9s s VAL 50 CO 0.00 0.46 -0.18 -0.36 0.00 0.00 0.00 175.10 175.02 3a9s s PHE 51 N 1.23 1.59 1.01 5.22 0.40 -1.26 -0.84 117.98 125.32 3a9s s PHE 51 Ca -0.01 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.79 3a9s s PHE 51 Cb -0.14 -0.90 0.19 0.00 0.51 0.00 0.00 43.02 42.68 3a9s s PHE 51 CO -0.06 0.13 1.08 0.71 0.70 0.00 0.00 175.22 177.78 3a9s s TYR 52 N -1.06 2.02 0.05 0.36 4.12 0.12 -4.83 117.35 118.13 3a9s s TYR 52 Ca 0.04 1.07 0.30 0.00 0.02 0.00 0.00 57.07 58.50 3a9s s TYR 52 Cb -0.09 -3.23 1.55 0.00 -1.52 0.00 0.00 41.96 38.67 3a9s s TYR 52 CO 0.03 -2.97 1.93 0.10 0.02 0.00 0.00 175.55 174.66 3a9s h TYR 53 N -1.96 0.00 -0.57 2.71 -0.00 -1.94 -1.48 116.97 113.73 3a9s h TYR 53 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.18 3a9s h TYR 53 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 3a9s h TYR 53 CO 0.31 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.74 3a9s n ASN 54 N -2.60 3.19 0.00 0.10 6.94 -1.26 -4.85 115.26 116.77 3a9s n ASN 54 Ca -0.01 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 3a9s n ASN 54 Cb 0.11 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 3a9s n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a9s n GLY 55 N 1.45 1.87 3.74 4.83 0.00 -0.56 -4.97 105.19 111.56 3a9s n GLY 55 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3a9s n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a9s s GLN 56 N -0.60 4.48 0.54 1.61 -0.21 -1.26 -4.73 119.66 119.49 3a9s s GLN 56 Ca 0.00 1.92 -0.22 0.00 0.02 0.00 0.00 55.36 57.08 3a9s s GLN 56 Cb 0.00 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.74 3a9s s GLN 56 CO 0.00 -0.10 1.30 -1.25 -2.12 0.00 0.00 175.29 173.12 3a9s s PRO 57 N -0.40 3.23 0.52 2.91 0.04 -1.26 0.12 135.00 140.16 3a9s s PRO 57 Ca 0.53 2.10 -0.23 0.00 0.04 0.00 0.00 61.00 63.44 3a9s s PRO 57 Cb -0.34 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.90 3a9s s PRO 57 CO 0.38 -1.07 1.38 0.54 0.04 0.00 0.00 177.00 178.27 3a9s s VAL 58 N -1.38 2.08 -0.11 -0.36 0.11 -0.02 -4.68 120.40 116.04 3a9s s VAL 58 Ca 0.71 0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.78 3a9s s VAL 58 Cb -0.37 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 3a9s s VAL 58 CO 0.43 0.00 0.03 -1.61 -3.33 0.00 0.00 175.10 170.63 3a9s s GLU 59 N -2.77 3.22 0.18 1.54 2.02 -1.26 -4.51 118.70 117.12 3a9s s GLU 59 Ca 0.68 -0.36 0.08 0.00 0.02 0.00 0.00 54.97 55.39 3a9s s GLU 59 Cb -0.41 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 3a9s s GLU 59 CO 0.50 0.64 -0.03 0.00 0.02 0.00 0.00 175.26 176.40 3a9s s VAL 61 N -1.76 1.33 -0.03 0.00 1.01 0.44 -4.90 120.40 116.49 3a9s s VAL 61 Ca 0.27 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3a9s s VAL 61 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3a9s s VAL 61 CO 0.18 0.41 0.11 -0.63 0.00 0.00 0.00 175.10 175.18 3a9s s ILE 62 N 1.37 5.03 0.62 2.22 1.01 -1.26 -0.35 121.20 129.84 3a9s s ILE 62 Ca 0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 3a9s s ILE 62 Cb -0.13 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3a9s s ILE 62 CO -0.06 0.41 1.31 0.00 0.00 0.00 0.00 174.94 176.59 3a9s n ALA 63 N 1.32 1.27 0.23 9.38 0.00 -0.94 -4.90 120.51 126.87 3a9s n ALA 63 Ca -0.14 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.41 3a9s n ALA 63 Cb 0.53 -2.33 0.54 0.00 0.00 0.00 0.00 19.45 18.18 3a9s n ALA 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a9s h ASP 64 N 0.76 0.00 -5.47 0.00 3.32 -1.93 -3.45 116.42 109.65 3a9s h ASP 64 Ca -0.51 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.35 3a9s h ASP 64 Cb 1.33 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.73 3a9s h ASP 64 CO 0.54 0.23 -0.61 0.42 -1.72 0.00 0.00 179.24 178.10 3a9s s THR 65 N -4.15 0.06 0.70 0.35 -4.23 -1.26 -5.14 115.64 101.98 3a9s s THR 65 Ca -0.02 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.47 3a9s s THR 65 Cb 0.13 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.81 3a9s s THR 65 CO 0.65 -0.29 1.08 0.00 -0.54 0.00 0.00 174.62 175.53 3a9s s ILE 67 N -2.72 4.03 -0.92 0.00 1.01 0.14 -4.90 121.20 117.84 3a9s s ILE 67 Ca 0.62 -1.29 0.08 0.00 0.00 0.00 0.00 60.65 60.06 3a9s s ILE 67 Cb -0.17 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.93 3a9s s ILE 67 CO 0.49 -0.37 0.67 0.61 0.00 0.00 0.00 174.94 176.34 3a9s n GLY 68 N 4.86 -0.40 2.17 6.18 0.00 -1.26 -0.98 105.19 115.78 3a9s n GLY 68 Ca -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 3a9s n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9s n GLY 69 N 0.65 1.25 0.27 -0.02 0.00 -1.26 -4.09 105.19 101.98 3a9s n GLY 69 Ca 0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 3a9s n GLY 69 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a9s h VAL 70 N 1.57 1.24 -0.05 1.61 3.04 -1.80 -1.63 116.25 120.22 3a9s h VAL 70 Ca -0.18 -1.03 -0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3a9s h VAL 70 Cb 0.70 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3a9s h VAL 70 CO 0.23 0.35 0.03 0.50 -1.01 0.00 0.00 177.57 177.67 3a9s h LYS 71 N 0.56 0.07 -0.13 4.17 1.63 -1.97 0.15 116.57 121.06 3a9s h LYS 71 Ca 0.10 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.79 3a9s h LYS 71 Cb 0.50 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3a9s h LYS 71 CO 0.03 0.08 -0.41 0.93 -3.45 0.00 0.00 179.45 176.62 3a9s h GLU 72 N 0.04 0.28 -0.68 1.90 5.08 -1.91 -1.26 114.58 118.04 3a9s h GLU 72 Ca 0.02 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3a9s h GLU 72 Cb 0.02 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3a9s h GLU 72 CO -0.00 0.65 0.15 0.00 -1.00 0.00 0.00 179.01 178.80 3a9s h ALA 73 N 1.34 0.89 -0.49 3.43 0.00 -0.87 -0.85 119.26 122.71 3a9s h ALA 73 Ca 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3a9s h ALA 73 Cb 0.83 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3a9s h ALA 73 CO 0.07 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.86 3a9s h ALA 74 N 1.06 0.92 -0.69 0.00 0.00 -0.31 -1.44 119.26 118.81 3a9s h ALA 74 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3a9s h ALA 74 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3a9s h ALA 74 CO 0.01 0.63 0.21 0.93 0.00 0.00 0.00 179.25 181.02 3a9s h GLU 75 N 0.80 1.07 -0.40 0.00 4.39 -0.82 -1.15 114.58 118.47 3a9s h GLU 75 Ca 0.14 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 3a9s h GLU 75 Cb 0.60 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3a9s h GLU 75 CO 0.04 0.92 0.01 0.00 -1.16 0.00 0.00 179.01 178.82 3a9s h ALA 76 N 1.19 0.54 -0.94 3.43 0.00 -0.84 -1.14 119.26 121.50 3a9s h ALA 76 Ca 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3a9s h ALA 76 Cb 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3a9s h ALA 76 CO -0.01 0.31 0.62 0.00 0.00 0.00 0.00 179.25 180.17 3a9s h ALA 77 N 0.90 1.20 -0.21 0.00 0.00 -0.95 -0.41 119.26 119.79 3a9s h ALA 77 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3a9s h ALA 77 Cb 0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a9s h ALA 77 CO 0.02 0.56 -0.01 1.49 0.00 0.00 0.00 179.25 181.30 3a9s h GLU 78 N 1.25 0.37 -0.12 0.00 4.57 -1.00 -1.72 114.58 117.92 3a9s h GLU 78 Ca 0.35 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3a9s h GLU 78 Cb -0.11 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3a9s h GLU 78 CO -0.09 0.58 0.06 -0.22 -1.18 0.00 0.00 179.01 178.17 3a9s h LYS 79 N 0.12 0.17 -1.01 1.92 3.64 -0.93 -2.40 116.57 118.09 3a9s h LYS 79 Ca 0.06 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3a9s h LYS 79 Cb 0.42 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3a9s h LYS 79 CO 0.01 0.20 0.66 0.74 -2.27 0.00 0.00 179.45 178.79 3a9s h PHE 80 N 0.09 1.22 -0.36 1.91 0.05 -1.06 0.45 116.94 119.24 3a9s h PHE 80 Ca 0.04 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 3a9s h PHE 80 Cb 0.08 -0.40 -0.02 0.00 2.00 0.00 0.00 35.95 37.61 3a9s h PHE 80 CO -0.04 0.66 0.15 0.00 -0.18 0.00 0.00 178.31 178.91 3a9s h ALA 81 N 1.44 0.47 0.00 2.45 0.00 -1.07 -0.63 119.26 121.92 3a9s h ALA 81 Ca 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a9s h ALA 81 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a9s h ALA 81 CO -0.15 0.05 0.00 0.07 0.00 0.00 0.00 179.25 179.22 3a9s h ARG 82 N 0.44 0.00 -0.01 0.00 0.11 -1.02 -3.15 114.38 110.74 3a9s h ARG 82 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3a9s h ARG 82 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 3a9s h ARG 82 CO -0.01 0.00 -0.17 0.39 0.10 0.00 0.00 179.97 180.27 3a9s n GLU 83 N -2.72 1.14 -2.45 0.08 -0.58 0.11 -4.96 120.64 111.27 3a9s n GLU 83 Ca 0.04 -0.68 -0.04 0.00 -0.42 0.00 0.00 57.16 56.06 3a9s n GLU 83 Cb 0.46 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.85 3a9s n GLU 83 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a9s n GLY 84 N 1.29 0.52 3.72 0.62 0.00 -0.76 -4.84 105.19 105.75 3a9s n GLY 84 Ca 0.14 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 3a9s n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a9s s VAL 85 N -2.72 4.42 0.00 1.61 1.01 -0.32 -2.07 120.40 122.33 3a9s s VAL 85 Ca 0.06 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.94 3a9s s VAL 85 Cb -0.03 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3a9s s VAL 85 CO 0.07 0.24 0.35 0.61 0.00 0.00 0.00 175.10 176.38 3a9s n GLY 86 N 2.51 -0.77 3.02 4.51 0.00 0.42 -4.83 105.19 110.04 3a9s n GLY 86 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3a9s n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a9s s VAL 87 N -0.13 0.01 -0.03 1.61 1.01 -1.13 -4.11 120.40 117.63 3a9s s VAL 87 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3a9s s VAL 87 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3a9s s VAL 87 CO 0.00 -0.07 -0.16 -0.55 0.00 0.00 0.00 175.10 174.32 3a9s s SER 88 N -0.18 1.95 -0.08 3.32 0.15 -0.31 0.17 113.70 118.72 3a9s s SER 88 Ca -0.03 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 3a9s s SER 88 Cb -0.02 -0.44 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 3a9s s SER 88 CO 0.00 0.15 -0.04 -0.63 1.20 0.00 0.00 173.24 173.92 3a9s s ILE 89 N -0.06 0.69 -0.12 6.45 1.01 0.49 -1.33 121.20 128.33 3a9s s ILE 89 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 3a9s s ILE 89 Cb -0.10 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3a9s s ILE 89 CO 0.01 0.30 0.17 -0.89 0.00 0.00 0.00 174.94 174.52 3a9s s THR 90 N 1.57 5.45 0.02 2.92 2.01 0.05 0.15 115.64 127.80 3a9s s THR 90 Ca 0.00 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.30 3a9s s THR 90 Cb -0.13 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 3a9s s THR 90 CO -0.04 0.59 -0.09 0.68 -0.69 0.00 0.00 174.62 175.06 3a9s s VAL 91 N -0.84 0.71 -0.17 3.82 -7.23 -0.21 -0.14 120.40 116.34 3a9s s VAL 91 Ca 0.15 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 3a9s s VAL 91 Cb -0.12 -0.66 0.12 0.00 0.56 0.00 0.00 36.38 36.27 3a9s s VAL 91 CO 0.04 -0.04 0.96 0.28 -0.31 0.00 0.00 175.10 176.03 3a9s s THR 92 N -0.71 0.00 -1.33 5.32 -1.32 -0.98 -1.39 115.64 115.23 3a9s s THR 92 Ca -0.01 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.59 3a9s s THR 92 Cb -0.06 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.12 3a9s s THR 92 CO 0.00 0.00 1.04 -0.81 -2.21 0.00 0.00 174.62 172.65 3a9s n PRO 93 N 1.05 1.55 -3.28 7.08 -0.04 -1.26 -0.98 135.00 139.13 3a9s n PRO 93 Ca -0.12 -1.58 -0.12 0.00 -0.04 0.00 0.00 63.50 61.65 3a9s n PRO 93 Cb 0.57 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.73 3a9s n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a9s s TRP 95 N -2.67 3.78 0.08 0.00 -0.11 -1.22 -3.96 118.94 114.84 3a9s s TRP 95 Ca 0.20 1.82 -0.00 0.00 1.22 0.00 0.00 56.10 59.33 3a9s s TRP 95 Cb 0.01 -3.06 -0.04 0.00 -1.50 0.00 0.00 33.47 28.88 3a9s s TRP 95 CO 0.14 0.08 -0.02 0.00 -4.62 0.00 0.00 176.95 172.53 3a9s n TYR 97 N 0.03 2.86 0.00 0.00 4.01 -1.26 -4.87 117.16 117.93 3a9s n TYR 97 Ca -0.12 -2.99 0.00 0.00 -0.16 0.00 0.00 57.90 54.64 3a9s n TYR 97 Cb 0.62 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 37.28 3a9s n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a9s n GLY 98 N 3.40 0.06 0.35 2.72 0.00 -1.26 -0.42 105.19 110.04 3a9s n GLY 98 Ca 0.63 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.86 3a9s n GLY 98 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a9s h THR 99 N 0.00 0.47 0.00 2.61 1.35 -1.93 -1.13 112.91 114.28 3a9s h THR 99 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.80 3a9s h THR 99 Cb 0.00 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3a9s h THR 99 CO 0.00 0.00 -0.31 -0.33 -0.25 0.00 0.00 175.52 174.63 3a9s h GLU 100 N 0.00 0.00 -0.06 4.72 5.08 -1.13 -3.20 114.58 119.99 3a9s h GLU 100 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3a9s h GLU 100 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3a9s h GLU 100 CO -0.00 0.31 0.00 0.25 -1.00 0.00 0.00 179.01 178.57 3a9s n THR 101 N -3.76 0.11 -1.51 1.13 -2.24 -0.46 -2.08 114.28 105.47 3a9s n THR 101 Ca -0.01 -0.56 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 3a9s n THR 101 Cb 0.40 1.18 0.08 0.00 -2.10 0.00 0.00 70.33 69.89 3a9s n THR 101 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3a9s s MET 102 N -1.05 2.26 -0.42 -0.78 -1.94 -1.02 -4.93 119.30 111.42 3a9s s MET 102 Ca 0.16 1.73 -0.21 0.00 -1.71 0.00 0.00 55.69 55.66 3a9s s MET 102 Cb 0.11 -1.85 0.02 0.00 2.01 0.00 0.00 34.83 35.12 3a9s s MET 102 CO 0.16 -1.73 0.65 0.34 -0.01 0.00 0.00 175.02 174.42 3a9s s ASP 103 N -2.06 6.34 0.00 3.03 -1.08 -1.26 -4.92 116.67 116.72 3a9s s ASP 103 Ca 0.74 -0.25 0.16 0.00 -0.52 0.00 0.00 52.55 52.67 3a9s s ASP 103 Cb -0.28 -2.32 0.45 0.00 -1.46 0.00 0.00 42.92 39.31 3a9s s ASP 103 CO 0.44 -0.75 1.37 0.23 0.52 0.00 0.00 175.17 176.98 3a9s n MET 104 N 6.24 2.10 -2.51 4.34 2.81 -1.26 -4.86 117.12 123.98 3a9s n MET 104 Ca -0.01 -1.70 -0.43 0.00 -1.81 0.00 0.00 57.70 53.75 3a9s n MET 104 Cb 0.48 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.59 3a9s n MET 104 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3a9s s ASP 105 N -1.07 6.54 0.00 7.83 -1.08 -1.26 -4.88 116.67 122.75 3a9s s ASP 105 Ca 0.32 0.61 0.23 0.00 -0.52 0.00 0.00 52.55 53.19 3a9s s ASP 105 Cb 0.17 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 40.10 3a9s s ASP 105 CO 0.23 -1.31 1.73 -0.81 0.52 0.00 0.00 175.17 175.52 3a9s n PRO 106 N 7.91 0.10 -0.55 4.34 -0.04 -1.26 -3.64 135.00 141.86 3a9s n PRO 106 Ca 0.14 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 3a9s n PRO 106 Cb 0.49 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.77 3a9s n PRO 106 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3a9s n HIS 107 N -1.43 1.32 -4.08 0.54 8.25 -1.26 -4.91 115.22 113.64 3a9s n HIS 107 Ca 0.07 -0.53 -0.16 0.00 -0.26 0.00 0.00 57.72 56.84 3a9s n HIS 107 Cb 0.24 -0.22 -0.15 0.00 1.12 0.00 0.00 29.99 30.98 3a9s n HIS 107 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3a9s s ILE 108 N -1.79 0.33 0.34 1.59 -4.36 -1.24 -5.05 121.20 111.03 3a9s s ILE 108 Ca 0.46 -0.13 -0.29 0.00 -0.26 0.00 0.00 60.65 60.42 3a9s s ILE 108 Cb 0.29 -0.31 -0.11 0.00 1.25 0.00 0.00 42.46 43.58 3a9s s ILE 108 CO 0.22 0.12 1.54 -2.65 0.24 0.00 0.00 174.94 174.41 3a9s n PRO 109 N 3.26 2.69 -3.97 0.37 -0.02 -1.26 -4.81 135.00 131.26 3a9s n PRO 109 Ca -0.16 0.95 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 3a9s n PRO 109 Cb 0.56 -2.70 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 3a9s n PRO 109 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3a9s s LYS 110 N -1.39 0.25 0.10 -0.52 -2.85 -1.26 -1.16 119.74 112.91 3a9s s LYS 110 Ca 0.58 -0.44 0.01 0.00 -1.00 0.00 0.00 55.97 55.12 3a9s s LYS 110 Cb -0.48 0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.26 3a9s s LYS 110 CO 0.57 -0.02 -0.04 0.00 0.10 0.00 0.00 175.35 175.96 3a9s s ALA 111 N -1.00 0.95 -0.05 0.59 0.00 -0.44 -1.08 121.76 120.74 3a9s s ALA 111 Ca -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3a9s s ALA 111 Cb -0.07 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3a9s s ALA 111 CO -0.01 -0.28 -0.02 0.08 0.00 0.00 0.00 175.76 175.53 3a9s s VAL 112 N -3.70 0.39 -0.26 0.00 1.01 0.19 -0.77 120.40 117.26 3a9s s VAL 112 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 3a9s s VAL 112 Cb 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.00 3a9s s VAL 112 CO -0.04 0.21 -0.05 0.86 0.00 0.00 0.00 175.10 176.08 3a9s s TRP 113 N 1.19 3.10 -0.26 5.22 -0.00 0.80 -0.71 118.94 128.28 3a9s s TRP 113 Ca -0.07 -1.56 -0.08 0.00 -0.00 0.00 0.00 56.10 54.38 3a9s s TRP 113 Cb -0.14 -2.07 -0.03 0.00 -0.00 0.00 0.00 33.47 31.23 3a9s s TRP 113 CO -0.02 -0.73 0.11 0.20 -0.00 0.00 0.00 176.95 176.51 3a9s s GLY 114 N 1.32 1.82 0.20 5.86 0.00 -1.05 -2.32 107.32 113.15 3a9s s GLY 114 Ca -0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 44.72 43.26 3a9s s GLY 114 CO -0.04 0.57 1.57 0.33 0.00 0.00 0.00 173.10 175.54 3a9s n PHE 115 N 4.97 2.41 -2.70 1.90 7.35 -0.15 -4.51 117.46 126.72 3a9s n PHE 115 Ca -0.15 0.26 -0.43 0.00 -0.76 0.00 0.00 57.45 56.36 3a9s n PHE 115 Cb 0.51 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.79 3a9s n PHE 115 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3a9s n ASN 116 N 3.08 5.10 -4.52 -2.13 2.85 -1.26 -3.94 115.26 114.44 3a9s n ASN 116 Ca 0.15 -3.00 -0.25 0.00 -0.11 0.00 0.00 54.58 51.36 3a9s n ASN 116 Cb 0.31 -1.57 -0.10 0.00 1.24 0.00 0.00 39.78 39.66 3a9s n ASN 116 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3a9s s GLY 117 N 2.50 2.11 -0.21 8.20 0.00 -1.26 -0.58 107.32 118.09 3a9s s GLY 117 Ca 0.43 -2.04 0.08 0.00 0.00 0.00 0.00 44.72 43.20 3a9s s GLY 117 CO 0.01 -2.01 0.01 -1.30 0.00 0.00 0.00 173.10 169.81 3a9s n THR 118 N -0.75 1.50 -0.30 0.90 -2.24 -1.26 -4.50 114.28 107.62 3a9s n THR 118 Ca -0.05 -0.70 0.14 0.00 -2.27 0.00 0.00 64.05 61.16 3a9s n THR 118 Cb 0.63 -1.08 0.38 0.00 -2.10 0.00 0.00 70.33 68.16 3a9s n THR 118 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3a9s h GLU 119 N 0.01 0.66 -5.28 -0.78 3.07 -1.94 -3.42 114.58 106.91 3a9s h GLU 119 Ca -0.53 -0.04 -0.43 0.00 -0.50 0.00 0.00 59.36 57.86 3a9s h GLU 119 Cb 2.05 -0.15 -0.24 0.00 -0.84 0.00 0.00 28.75 29.57 3a9s h GLU 119 CO -0.01 0.44 -0.79 1.03 -1.40 0.00 0.00 179.01 178.28 3a9s s ARG 120 N -5.70 0.89 -0.67 2.33 1.81 -1.26 -5.05 118.95 111.30 3a9s s ARG 120 Ca -0.10 -0.78 -0.04 0.00 -1.72 0.00 0.00 55.73 53.09 3a9s s ARG 120 Cb 0.23 -0.89 -0.04 0.00 -0.45 0.00 0.00 34.95 33.80 3a9s s ARG 120 CO 0.79 0.22 1.85 -2.30 -0.68 0.00 0.00 175.30 175.18 3a9s n PRO 121 N 1.81 1.56 -0.16 3.54 -0.02 -1.26 -4.60 135.00 135.87 3a9s n PRO 121 Ca -0.19 -1.19 -0.11 0.00 -2.02 0.00 0.00 63.50 59.99 3a9s n PRO 121 Cb 0.55 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3a9s n PRO 121 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3a9s h GLY 122 N 8.55 1.09 2.00 -1.23 0.00 -1.69 -1.87 103.07 109.92 3a9s h GLY 122 Ca 0.36 -0.96 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 3a9s h GLY 122 CO 1.29 0.88 -0.31 0.00 0.00 0.00 0.00 176.54 178.40 3a9s h ALA 123 N 0.87 1.02 -0.32 3.60 0.00 -1.82 -1.60 119.26 121.02 3a9s h ALA 123 Ca 0.11 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3a9s h ALA 123 Cb 0.79 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3a9s h ALA 123 CO 0.07 0.38 -0.47 0.28 0.00 0.00 0.00 179.25 179.51 3a9s h VAL 124 N 0.00 1.28 -0.19 0.00 2.07 -1.84 -1.36 116.25 116.22 3a9s h VAL 124 Ca -0.00 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 3a9s h VAL 124 Cb 0.82 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3a9s h VAL 124 CO 0.04 0.54 -0.02 0.22 0.02 0.00 0.00 177.57 178.37 3a9s h TYR 125 N 0.67 0.39 -0.12 1.57 3.20 -0.89 0.11 116.97 121.89 3a9s h TYR 125 Ca 0.04 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.88 3a9s h TYR 125 Cb 1.05 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 3a9s h TYR 125 CO 0.06 0.58 -0.33 1.25 -1.64 0.00 0.00 178.16 178.09 3a9s h LEU 126 N 0.08 -1.01 -0.91 2.82 5.85 -1.20 0.35 115.31 121.29 3a9s h LEU 126 Ca 0.05 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3a9s h LEU 126 Cb 0.44 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3a9s h LEU 126 CO 0.01 -0.36 0.07 0.00 -0.34 0.00 0.00 178.44 177.82 3a9s h ALA 127 N 0.39 1.10 -0.32 1.25 0.00 -1.21 -1.06 119.26 119.42 3a9s h ALA 127 Ca 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3a9s h ALA 127 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3a9s h ALA 127 CO -0.35 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.49 3a9s h ALA 128 N 1.25 0.43 -0.03 0.00 0.00 -0.00 -1.76 119.26 119.14 3a9s h ALA 128 Ca 0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3a9s h ALA 128 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a9s h ALA 128 CO 0.01 0.18 -0.70 -0.24 0.00 0.00 0.00 179.25 178.50 3a9s h VAL 129 N 0.37 1.44 -0.43 0.00 3.04 -0.23 -2.49 116.25 117.95 3a9s h VAL 129 Ca 0.09 -2.25 -0.08 0.00 -1.01 0.00 0.00 66.70 63.45 3a9s h VAL 129 Cb 0.43 2.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 3a9s h VAL 129 CO 0.02 0.66 -0.05 -0.07 -1.01 0.00 0.00 177.57 177.11 3a9s h LEU 130 N 0.11 0.70 -1.13 3.16 3.38 -1.12 0.90 115.31 121.31 3a9s h LEU 130 Ca -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3a9s h LEU 130 Cb 1.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3a9s h LEU 130 CO 0.10 0.80 0.25 0.00 0.09 0.00 0.00 178.44 179.69 3a9s h ALA 131 N 1.27 1.32 -0.23 1.53 0.00 -1.08 0.63 119.26 122.70 3a9s h ALA 131 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3a9s h ALA 131 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a9s h ALA 131 CO 0.03 0.51 -0.02 0.78 0.00 0.00 0.00 179.25 180.55 3a9s h GLY 132 N 0.96 0.44 1.01 0.00 0.00 -0.78 0.58 103.07 105.28 3a9s h GLY 132 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3a9s h GLY 132 CO -0.02 0.31 0.48 -0.97 0.00 0.00 0.00 176.54 176.34 3a9s h TYR 133 N 0.17 1.10 -0.48 5.60 -1.99 -0.44 -0.10 116.97 120.83 3a9s h TYR 133 Ca 0.06 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.66 3a9s h TYR 133 Cb 0.44 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 3a9s h TYR 133 CO 0.04 0.75 -0.17 -0.91 -0.00 0.00 0.00 178.16 177.86 3a9s h ASN 134 N 1.13 0.94 0.20 3.88 2.35 -0.74 -0.67 115.58 122.68 3a9s h ASN 134 Ca 0.29 -0.33 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3a9s h ASN 134 Cb -0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3a9s h ASN 134 CO -0.05 1.10 -0.46 -0.61 -1.65 0.00 0.00 177.43 175.76 3a9s h GLN 135 N 0.82 0.32 -0.00 0.81 4.15 -0.44 -3.12 115.11 117.64 3a9s h GLN 135 Ca 0.12 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3a9s h GLN 135 Cb 0.72 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3a9s h GLN 135 CO 0.06 0.71 -0.36 1.63 -1.93 0.00 0.00 178.83 178.94 3a9s n LYS 136 N -3.99 0.50 -1.74 1.69 5.02 -0.09 -4.96 118.16 114.59 3a9s n LYS 136 Ca -0.02 -0.29 -0.00 0.00 -2.02 0.00 0.00 58.31 55.97 3a9s n LYS 136 Cb 0.52 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3a9s n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a9s n GLY 137 N 1.40 0.37 3.07 0.72 0.00 -0.62 -5.02 105.19 105.11 3a9s n GLY 137 Ca 0.09 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 3a9s n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a9s s LEU 138 N -0.13 5.04 0.21 0.99 1.43 -0.36 -5.04 118.68 120.82 3a9s s LEU 138 Ca 0.00 -2.74 -0.32 0.00 -1.03 0.00 0.00 54.13 50.05 3a9s s LEU 138 Cb 0.00 -1.80 -0.15 0.00 0.03 0.00 0.00 46.19 44.28 3a9s s LEU 138 CO 0.00 -0.37 1.25 -2.65 0.23 0.00 0.00 176.35 174.81 3a9s n PRO 139 N 3.61 1.54 -3.77 1.29 -0.02 -1.26 -4.50 135.00 131.89 3a9s n PRO 139 Ca 0.06 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 3a9s n PRO 139 Cb 0.37 -2.10 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 3a9s n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a9s s ALA 140 N -0.25 -0.74 0.17 3.55 0.00 -1.26 -4.49 121.76 118.74 3a9s s ALA 140 Ca 0.69 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 3a9s s ALA 140 Cb -0.75 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 3a9s s ALA 140 CO 0.52 -0.17 0.71 -0.06 0.00 0.00 0.00 175.76 176.76 3a9s s PHE 141 N -0.19 3.79 -0.16 0.00 0.40 -0.24 -1.19 117.98 120.39 3a9s s PHE 141 Ca -0.03 1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 57.72 3a9s s PHE 141 Cb -0.03 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.83 3a9s s PHE 141 CO 0.01 0.47 -0.04 0.20 0.70 0.00 0.00 175.22 176.56 3a9s s GLY 142 N -1.33 1.70 -0.25 4.36 0.00 -1.26 -0.64 107.32 109.90 3a9s s GLY 142 Ca 0.37 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 44.25 3a9s s GLY 142 CO 0.23 -0.01 -0.11 -0.42 0.00 0.00 0.00 173.10 172.79 3a9s s ILE 143 N 0.49 2.07 -0.14 0.90 1.01 0.12 -4.96 121.20 120.69 3a9s s ILE 143 Ca -0.03 -1.54 -0.00 0.00 0.00 0.00 0.00 60.65 59.08 3a9s s ILE 143 Cb -0.14 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.17 3a9s s ILE 143 CO 0.03 -0.00 -0.08 -0.47 0.00 0.00 0.00 174.94 174.41 3a9s s TYR 144 N 1.15 1.77 0.45 3.97 5.04 -1.26 -2.54 117.35 125.93 3a9s s TYR 144 Ca -0.08 -1.02 -0.23 0.00 -2.44 0.00 0.00 57.07 53.31 3a9s s TYR 144 Cb -0.19 -1.37 -0.08 0.00 0.35 0.00 0.00 41.96 40.67 3a9s s TYR 144 CO -0.06 -0.60 1.17 0.20 -1.34 0.00 0.00 175.55 174.92 3a9s s GLY 145 N 1.61 2.79 0.25 8.97 0.00 -1.26 -4.94 107.32 114.75 3a9s s GLY 145 Ca 0.03 0.94 0.12 0.00 0.00 0.00 0.00 44.72 45.81 3a9s s GLY 145 CO -0.09 1.40 1.53 0.07 0.00 0.00 0.00 173.10 176.02 3a9s h LYS 146 N 2.13 0.00 -5.24 2.90 2.10 -1.99 -3.45 116.57 113.02 3a9s h LYS 146 Ca -0.49 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.52 3a9s h LYS 146 Cb 1.25 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.36 3a9s h LYS 146 CO 0.60 0.66 -0.66 -0.51 -2.00 0.00 0.00 179.45 177.54 3a9s s ASP 147 N -6.69 4.81 0.21 7.07 1.01 -1.26 -5.07 116.67 116.75 3a9s s ASP 147 Ca 0.00 -0.15 -0.32 0.00 0.71 0.00 0.00 52.55 52.79 3a9s s ASP 147 Cb 0.11 -1.80 -0.13 0.00 1.01 0.00 0.00 42.92 42.11 3a9s s ASP 147 CO 0.76 0.13 1.52 0.52 0.21 0.00 0.00 175.17 178.31 3a9s n VAL 148 N 3.77 0.51 -4.23 -1.27 0.31 -1.26 -4.86 118.33 111.31 3a9s n VAL 148 Ca -0.17 -0.13 -0.31 0.00 -0.01 0.00 0.00 64.34 63.72 3a9s n VAL 148 Cb 0.52 -1.58 -0.09 0.00 -0.91 0.00 0.00 33.84 31.78 3a9s n VAL 148 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3a9s s GLN 149 N 0.21 2.44 0.50 5.55 -0.21 0.26 -5.03 119.66 123.39 3a9s s GLN 149 Ca 0.72 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 55.07 3a9s s GLN 149 Cb -0.64 -2.48 -0.08 0.00 1.00 0.00 0.00 33.01 30.82 3a9s s GLN 149 CO 0.44 0.55 1.00 -0.51 -2.12 0.00 0.00 175.29 174.65 3a9s s ASP 150 N -2.07 6.49 0.20 5.90 1.01 -1.26 -4.37 116.67 122.57 3a9s s ASP 150 Ca 0.23 1.73 -0.33 0.00 0.71 0.00 0.00 52.55 54.89 3a9s s ASP 150 Cb -0.11 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.15 3a9s s ASP 150 CO 0.15 -0.68 1.60 0.00 0.21 0.00 0.00 175.17 176.45 3a9s n ALA 151 N -1.27 1.87 0.00 5.23 0.00 -1.26 -1.77 120.51 123.31 3a9s n ALA 151 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3a9s n ALA 151 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3a9s n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a9s n GLY 152 N 3.29 2.55 3.64 0.00 0.00 -1.26 -5.02 105.19 108.39 3a9s n GLY 152 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3a9s n GLY 152 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a9s n ASP 153 N 0.00 3.77 -0.07 1.61 -0.08 -0.73 -4.84 116.55 116.21 3a9s n ASP 153 Ca 0.00 0.68 0.12 0.00 -1.51 0.00 0.00 54.79 54.08 3a9s n ASP 153 Cb 0.00 -1.51 0.33 0.00 2.34 0.00 0.00 41.12 42.27 3a9s n ASP 153 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3a9s n THR 154 N 6.24 0.00 -2.39 5.18 -2.24 -1.26 -4.91 114.28 114.90 3a9s n THR 154 Ca 0.24 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.58 3a9s n THR 154 Cb 0.40 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 3a9s n THR 154 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3a9s s ASN 155 N -2.83 7.02 -0.30 3.42 0.02 -1.26 -4.99 114.94 116.02 3a9s s ASN 155 Ca 0.16 2.34 -0.11 0.00 -1.02 0.00 0.00 52.86 54.23 3a9s s ASN 155 Cb 0.18 -2.63 -0.03 0.00 0.02 0.00 0.00 41.25 38.80 3a9s s ASN 155 CO 0.63 -0.32 0.18 -0.63 0.02 0.00 0.00 177.10 176.97 3a9s s ILE 156 N -1.24 4.96 0.66 0.60 1.01 -1.26 -5.07 121.20 120.86 3a9s s ILE 156 Ca 0.48 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 3a9s s ILE 156 Cb -0.32 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3a9s s ILE 156 CO 0.42 0.14 0.84 -2.65 0.00 0.00 0.00 174.94 173.68 3a9s n PRO 157 N 5.03 0.62 -0.33 2.79 -0.02 -1.26 -4.69 135.00 137.14 3a9s n PRO 157 Ca -0.14 0.26 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3a9s n PRO 157 Cb 0.50 -2.07 0.11 0.00 -0.02 0.00 0.00 33.50 32.02 3a9s n PRO 157 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3a9s h GLU 158 N 0.08 1.12 -0.29 -0.52 4.39 -1.99 0.28 114.58 117.65 3a9s h GLU 158 Ca -0.47 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.08 3a9s h GLU 158 Cb 1.36 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 3a9s h GLU 158 CO 0.48 0.74 -0.15 0.38 -1.16 0.00 0.00 179.01 179.29 3a9s h ASP 159 N 1.15 0.50 -0.23 1.42 -0.00 -2.00 -1.60 116.42 115.66 3a9s h ASP 159 Ca 0.34 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.03 57.11 3a9s h ASP 159 Cb -0.05 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.14 3a9s h ASP 159 CO -0.10 0.68 -0.36 0.58 -0.00 0.00 0.00 179.24 180.04 3a9s h VAL 160 N 0.47 1.32 -0.37 4.15 2.07 -1.77 -2.98 116.25 119.13 3a9s h VAL 160 Ca 0.08 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.08 3a9s h VAL 160 Cb 0.54 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3a9s h VAL 160 CO 0.03 0.49 0.13 0.11 0.02 0.00 0.00 177.57 178.35 3a9s h LYS 161 N 0.34 0.27 -0.69 1.57 1.57 -0.68 -0.32 116.57 118.65 3a9s h LYS 161 Ca 0.02 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3a9s h LYS 161 Cb 0.94 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.14 3a9s h LYS 161 CO 0.08 0.18 0.38 1.49 -0.57 0.00 0.00 179.45 181.02 3a9s h GLU 162 N 0.28 0.68 -0.31 3.15 4.81 -1.29 -0.50 114.58 121.40 3a9s h GLU 162 Ca 0.17 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3a9s h GLU 162 Cb 0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3a9s h GLU 162 CO -0.17 0.45 -0.20 0.87 -0.73 0.00 0.00 179.01 179.22 3a9s h LYS 163 N 0.70 0.68 -0.50 1.92 1.57 -1.30 -1.09 116.57 118.55 3a9s h LYS 163 Ca 0.31 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3a9s h LYS 163 Cb 0.20 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3a9s h LYS 163 CO -0.19 0.93 0.32 -0.07 -0.57 0.00 0.00 179.45 179.87 3a9s h LEU 164 N 0.44 0.54 -0.30 2.94 3.38 -0.67 -0.65 115.31 121.00 3a9s h LEU 164 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3a9s h LEU 164 Cb 0.75 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3a9s h LEU 164 CO 0.06 0.39 -0.10 0.40 0.09 0.00 0.00 178.44 179.28 3a9s h ILE 165 N 0.65 1.29 -0.41 1.22 2.04 -1.07 -0.72 117.51 120.50 3a9s h ILE 165 Ca 0.19 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3a9s h ILE 165 Cb -0.04 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3a9s h ILE 165 CO -0.06 0.37 0.22 -0.09 0.00 0.00 0.00 178.15 178.59 3a9s h ARG 166 N 0.36 0.58 -0.27 2.37 2.43 -1.04 -0.39 114.38 118.41 3a9s h ARG 166 Ca 0.07 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3a9s h ARG 166 Cb 0.60 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3a9s h ARG 166 CO 0.04 0.48 0.14 0.35 -1.51 0.00 0.00 179.97 179.46 3a9s h PHE 167 N 0.53 0.39 -0.46 2.20 3.57 -1.08 -1.76 116.94 120.32 3a9s h PHE 167 Ca 0.14 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3a9s h PHE 167 Cb 0.07 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3a9s h PHE 167 CO -0.02 0.36 0.28 0.00 -2.23 0.00 0.00 178.31 176.70 3a9s h ALA 168 N 1.00 0.59 -0.29 2.41 0.00 -0.87 0.26 119.26 122.35 3a9s h ALA 168 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a9s h ALA 168 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a9s h ALA 168 CO -0.01 -0.03 0.10 0.87 0.00 0.00 0.00 179.25 180.19 3a9s h LYS 169 N 0.56 0.45 -0.34 0.00 1.57 -0.97 -0.03 116.57 117.82 3a9s h LYS 169 Ca 0.18 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3a9s h LYS 169 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3a9s h LYS 169 CO -0.08 0.49 0.05 0.00 -0.57 0.00 0.00 179.45 179.34 3a9s h ALA 170 N 0.94 0.45 -0.63 3.86 0.00 -1.09 -1.52 119.26 121.28 3a9s h ALA 170 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3a9s h ALA 170 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3a9s h ALA 170 CO -0.01 0.15 0.33 0.78 0.00 0.00 0.00 179.25 180.50 3a9s h GLY 171 N 0.39 0.95 0.99 0.00 0.00 -0.41 -1.63 103.07 103.36 3a9s h GLY 171 Ca 0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3a9s h GLY 171 CO 0.01 0.43 0.27 -2.00 0.00 0.00 0.00 176.54 175.24 3a9s h LEU 172 N 0.86 0.75 -0.63 3.11 5.85 -0.88 0.12 115.31 124.49 3a9s h LEU 172 Ca 0.22 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3a9s h LEU 172 Cb 0.08 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3a9s h LEU 172 CO -0.03 0.67 0.42 0.00 -0.34 0.00 0.00 178.44 179.16 3a9s h ALA 173 N 1.10 0.80 -0.35 1.25 0.00 -1.01 0.96 119.26 122.01 3a9s h ALA 173 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3a9s h ALA 173 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3a9s h ALA 173 CO -0.02 0.23 0.14 0.28 0.00 0.00 0.00 179.25 179.87 3a9s h VAL 174 N 0.85 1.19 -0.23 0.00 2.07 -0.99 -2.76 116.25 116.38 3a9s h VAL 174 Ca 0.23 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3a9s h VAL 174 Cb -0.10 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3a9s h VAL 174 CO -0.05 0.21 -0.05 0.00 0.02 0.00 0.00 177.57 177.70 3a9s h ALA 175 N 0.98 1.49 -0.54 1.67 0.00 -0.51 -2.98 119.26 119.37 3a9s h ALA 175 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3a9s h ALA 175 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a9s h ALA 175 CO -0.01 0.36 0.24 0.52 0.00 0.00 0.00 179.25 180.37 3a9s h MET 176 N 0.34 0.76 -0.00 0.00 2.86 -0.52 -3.08 114.93 115.28 3a9s h MET 176 Ca 0.07 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 3a9s h MET 176 Cb 0.31 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3a9s h MET 176 CO 0.01 0.60 -0.73 0.52 1.06 0.00 0.00 176.91 178.37 3a9s h MET 177 N 0.76 0.04 -6.49 1.72 2.86 -1.45 -3.44 114.93 108.92 3a9s h MET 177 Ca 0.19 -0.03 -0.59 0.00 -2.06 0.00 0.00 59.70 57.21 3a9s h MET 177 Cb 0.10 0.01 0.06 0.00 0.06 0.00 0.00 31.60 31.83 3a9s h MET 177 CO -0.02 0.75 0.81 1.63 1.06 0.00 0.00 176.91 181.14 3a9s n LYS 178 N -3.69 2.14 0.00 1.72 5.02 -1.17 -1.78 118.16 120.41 3a9s n LYS 178 Ca -0.01 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3a9s n LYS 178 Cb 0.71 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 3a9s n LYS 178 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a9s n GLY 179 N 3.46 2.35 3.92 0.72 0.00 0.24 -4.98 105.19 110.90 3a9s n GLY 179 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3a9s n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9s s LYS 180 N -0.26 2.93 0.20 1.61 -0.14 -0.73 -4.73 119.74 118.61 3a9s s LYS 180 Ca 0.00 -0.05 0.06 0.00 -1.36 0.00 0.00 55.97 54.62 3a9s s LYS 180 Cb 0.00 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 3a9s s LYS 180 CO 0.00 -0.66 0.11 -1.12 -0.76 0.00 0.00 175.35 172.92 3a9s s SER 181 N -4.30 5.27 -0.16 2.83 0.01 -0.52 -0.83 113.70 116.00 3a9s s SER 181 Ca 0.53 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 3a9s s SER 181 Cb -0.10 -1.28 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 3a9s s SER 181 CO 0.44 0.04 -0.07 -0.47 0.41 0.00 0.00 173.24 173.60 3a9s s TYR 182 N -1.89 2.94 -0.26 2.43 5.04 -0.37 -1.98 117.35 123.26 3a9s s TYR 182 Ca 0.31 -0.55 -0.08 0.00 -2.44 0.00 0.00 57.07 54.32 3a9s s TYR 182 Cb -0.09 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.24 3a9s s TYR 182 CO 0.22 -0.20 0.08 -1.17 -1.34 0.00 0.00 175.55 173.14 3a9s s LEU 183 N 0.61 3.55 -0.42 6.97 2.96 -0.56 -1.63 118.68 130.15 3a9s s LEU 183 Ca -0.04 -0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.40 3a9s s LEU 183 Cb -0.15 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3a9s s LEU 183 CO 0.03 -0.06 0.60 -0.55 -1.32 0.00 0.00 176.35 175.04 3a9s s SER 184 N 1.61 6.31 -0.44 3.68 0.15 -0.13 -1.48 113.70 123.40 3a9s s SER 184 Ca 0.06 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.27 3a9s s SER 184 Cb -0.15 -2.30 0.06 0.00 -1.71 0.00 0.00 66.02 61.92 3a9s s SER 184 CO 0.04 -0.70 0.32 -0.63 1.20 0.00 0.00 173.24 173.47 3a9s s ILE 185 N 2.66 4.86 0.00 6.45 1.01 -0.35 -1.17 121.20 134.66 3a9s s ILE 185 Ca 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3a9s s ILE 185 Cb -0.15 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3a9s s ILE 185 CO 0.17 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.23 3a9s n GLY 186 N 5.09 -1.75 0.00 6.18 0.00 -0.03 -0.65 105.19 114.03 3a9s n GLY 186 Ca -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3a9s n GLY 186 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a9s n SER 187 N 0.00 0.00 -4.77 1.61 2.88 -1.26 -4.80 113.62 107.29 3a9s n SER 187 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 3a9s n SER 187 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3a9s n SER 187 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3a9s s VAL 188 N 2.51 2.75 -0.26 2.46 1.01 -1.26 -4.62 120.40 122.98 3a9s s VAL 188 Ca 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 3a9s s VAL 188 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3a9s s VAL 188 CO 0.00 0.16 0.05 -0.55 0.00 0.00 0.00 175.10 174.76 3a9s s SER 189 N -0.56 4.95 -1.64 3.32 0.15 -1.26 -4.71 113.70 113.95 3a9s s SER 189 Ca 0.50 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.65 3a9s s SER 189 Cb -0.39 -1.87 0.08 0.00 -1.71 0.00 0.00 66.02 62.13 3a9s s SER 189 CO 0.51 -0.09 0.31 0.23 1.20 0.00 0.00 173.24 175.40 3a9s n MET 190 N 4.88 -1.45 -1.81 5.44 2.81 -1.26 -0.92 117.12 124.81 3a9s n MET 190 Ca -0.16 0.18 -0.20 0.00 -1.81 0.00 0.00 57.70 55.71 3a9s n MET 190 Cb 0.50 -4.19 -0.06 0.00 -0.71 0.00 0.00 33.22 28.76 3a9s n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a9s n GLY 191 N -1.96 1.22 3.65 3.03 0.00 -1.26 -4.94 105.19 104.93 3a9s n GLY 191 Ca -0.16 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3a9s n GLY 191 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a9s s ILE 192 N -2.82 4.32 0.27 -0.61 1.01 -0.10 -4.91 121.20 118.37 3a9s s ILE 192 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.23 3a9s s ILE 192 Cb 0.00 -4.08 0.26 0.00 0.01 0.00 0.00 42.46 38.64 3a9s s ILE 192 CO 0.00 -0.21 1.78 0.00 0.00 0.00 0.00 174.94 176.51 3a9s h ALA 193 N 8.28 1.38 0.00 9.38 0.00 -1.92 -0.48 119.26 135.91 3a9s h ALA 193 Ca -0.25 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a9s h ALA 193 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3a9s h ALA 193 CO 0.98 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.64 3a9s n GLY 194 N -1.33 -0.77 0.74 0.00 0.00 -1.26 -1.76 105.19 100.81 3a9s n GLY 194 Ca 0.18 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3a9s n GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a9s n SER 195 N -1.47 2.29 -4.71 1.61 3.41 -0.19 -1.58 113.62 112.99 3a9s n SER 195 Ca 0.02 -1.76 -0.40 0.00 -0.26 0.00 0.00 58.87 56.47 3a9s n SER 195 Cb 0.10 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 3a9s n SER 195 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3a9s s VAL 196 N -1.96 5.04 -0.26 -3.33 1.01 -0.72 -4.27 120.40 115.89 3a9s s VAL 196 Ca 0.33 1.46 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 3a9s s VAL 196 Cb 0.20 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3a9s s VAL 196 CO 0.31 0.24 0.59 -0.69 0.00 0.00 0.00 175.10 175.56 3a9s s VAL 197 N 0.87 5.00 -0.66 2.92 1.01 -1.26 -4.91 120.40 123.37 3a9s s VAL 197 Ca 0.38 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 3a9s s VAL 197 Cb -0.18 -3.91 0.17 0.00 0.00 0.00 0.00 36.38 32.46 3a9s s VAL 197 CO 0.18 0.02 0.57 -1.10 0.00 0.00 0.00 175.10 174.77 3a9s s GLN 198 N 2.46 3.06 0.37 2.72 -0.21 -1.26 -4.94 119.66 121.86 3a9s s GLN 198 Ca 0.24 -2.18 0.10 0.00 0.02 0.00 0.00 55.36 53.55 3a9s s GLN 198 Cb -0.15 -4.18 0.86 0.00 1.00 0.00 0.00 33.01 30.54 3a9s s GLN 198 CO 0.09 -1.26 1.87 0.93 -2.12 0.00 0.00 175.29 174.80 3a9s h GLU 199 N 8.02 0.62 -0.93 2.91 5.08 -2.00 -1.53 114.58 126.75 3a9s h GLU 199 Ca -0.06 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.36 3a9s h GLU 199 Cb 1.04 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 3a9s h GLU 199 CO 0.83 0.41 0.60 -0.44 -1.00 0.00 0.00 179.01 179.41 3a9s h ASP 200 N 0.64 0.84 0.35 1.42 5.19 -1.98 0.75 116.42 123.63 3a9s h ASP 200 Ca 0.44 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.87 3a9s h ASP 200 Cb 0.77 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3a9s h ASP 200 CO -0.20 0.48 -0.17 0.15 -3.12 0.00 0.00 179.24 176.39 3a9s h PHE 201 N 0.92 -0.43 -0.35 4.55 3.57 -1.69 0.70 116.94 124.21 3a9s h PHE 201 Ca 0.44 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.95 3a9s h PHE 201 Cb 0.43 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3a9s h PHE 201 CO -0.00 -0.16 0.17 0.74 -2.23 0.00 0.00 178.31 176.84 3a9s h PHE 202 N -0.66 0.32 0.26 0.41 0.04 -1.44 0.17 116.94 116.04 3a9s h PHE 202 Ca -0.05 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3a9s h PHE 202 Cb 0.47 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3a9s h PHE 202 CO -0.01 0.17 -0.13 0.37 -0.60 0.00 0.00 178.31 178.12 3a9s h GLN 203 N 0.36 -0.34 0.00 1.51 4.15 -0.86 0.66 115.11 120.60 3a9s h GLN 203 Ca 0.15 0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.39 3a9s h GLN 203 Cb 0.06 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3a9s h GLN 203 CO -0.10 -0.04 -1.13 -0.91 -1.93 0.00 0.00 178.83 174.71 3a9s h ASN 204 N -0.64 0.00 0.07 -0.69 2.35 -0.87 -2.76 115.58 113.05 3a9s h ASN 204 Ca -0.04 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.34 3a9s h ASN 204 Cb 0.45 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3a9s h ASN 204 CO 0.06 0.82 -2.22 -1.22 -1.65 0.00 0.00 177.43 173.21 3a9s n TYR 205 N -3.17 0.67 0.62 1.19 4.02 0.04 -4.63 117.16 115.90 3a9s n TYR 205 Ca -0.05 0.14 0.07 0.00 -0.01 0.00 0.00 57.90 58.05 3a9s n TYR 205 Cb 0.90 -1.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.06 3a9s n TYR 205 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3a9s n LEU 206 N -3.37 0.62 -1.36 7.72 4.77 -1.04 -4.92 117.00 119.42 3a9s n LEU 206 Ca -0.38 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 54.99 3a9s n LEU 206 Cb 1.02 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.09 3a9s n LEU 206 CO 0.35 0.15 -0.16 0.61 -1.33 0.00 0.00 177.39 177.02 3a9s n GLY 207 N 1.34 0.24 3.96 -0.72 0.00 -0.13 -3.62 105.19 106.26 3a9s n GLY 207 Ca 0.02 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 3a9s n GLY 207 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a9s s MET 208 N -4.24 3.16 0.17 1.61 1.00 0.04 -0.60 119.30 120.44 3a9s s MET 208 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 55.69 54.77 3a9s s MET 208 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 34.83 32.01 3a9s s MET 208 CO 0.00 0.21 0.19 1.03 0.00 0.00 0.00 175.02 176.45 3a9s s ARG 209 N -4.07 3.09 -0.21 2.03 0.52 -0.01 -3.49 118.95 116.81 3a9s s ARG 209 Ca 0.40 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.80 3a9s s ARG 209 Cb -0.09 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.64 3a9s s ARG 209 CO 0.30 0.49 -0.10 -0.80 0.02 0.00 0.00 175.30 175.20 3a9s s ASN 210 N -3.22 3.90 0.09 0.23 0.01 -1.26 -1.23 114.94 113.46 3a9s s ASN 210 Ca 0.32 -0.53 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 3a9s s ASN 210 Cb -0.10 -1.64 -0.04 0.00 0.41 0.00 0.00 41.25 39.88 3a9s s ASN 210 CO 0.25 -0.02 -0.13 -1.61 -1.51 0.00 0.00 177.10 174.08 3a9s s GLU 211 N 1.40 2.05 0.01 -0.60 0.41 -0.65 -4.97 118.70 116.35 3a9s s GLU 211 Ca 0.05 -1.04 0.02 0.00 -0.41 0.00 0.00 54.97 53.59 3a9s s GLU 211 Cb -0.14 -2.25 -0.01 0.00 -1.78 0.00 0.00 34.13 29.95 3a9s s GLU 211 CO -0.07 0.51 -0.07 0.71 -0.49 0.00 0.00 175.26 175.85 3a9s s TYR 212 N -1.14 0.65 -0.16 1.61 1.51 -1.26 -0.96 117.35 117.60 3a9s s TYR 212 Ca 0.19 -0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3a9s s TYR 212 Cb -0.11 -0.41 0.07 0.00 -0.11 0.00 0.00 41.96 41.40 3a9s s TYR 212 CO 0.11 -0.02 0.35 0.54 -1.11 0.00 0.00 175.55 175.42 3a9s s VAL 213 N -0.50 -0.32 0.48 0.71 0.11 -0.32 -4.96 120.40 115.61 3a9s s VAL 213 Ca -0.01 0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 58.99 3a9s s VAL 213 Cb -0.05 -0.55 -0.07 0.00 -1.53 0.00 0.00 36.38 34.18 3a9s s VAL 213 CO 0.00 0.07 1.16 -0.62 -3.33 0.00 0.00 175.10 172.38 3a9s s ASP 214 N 2.00 6.06 0.36 3.54 -1.08 -1.26 -0.85 116.67 125.45 3a9s s ASP 214 Ca -0.04 2.28 0.25 0.00 -0.52 0.00 0.00 52.55 54.51 3a9s s ASP 214 Cb -0.11 -2.60 1.31 0.00 -1.46 0.00 0.00 42.92 40.06 3a9s s ASP 214 CO -0.11 -0.99 1.76 0.24 0.52 0.00 0.00 175.17 176.59 3a9s h MET 215 N 1.85 0.00 0.00 4.34 2.86 -1.90 -1.35 114.93 120.74 3a9s h MET 215 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3a9s h MET 215 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3a9s h MET 215 CO 0.59 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.22 3a9s h SER 216 N 0.00 0.00 -0.29 1.22 4.64 -2.01 -0.36 113.55 116.75 3a9s h SER 216 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3a9s h SER 216 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3a9s h SER 216 CO 0.00 0.00 0.09 -0.08 -0.87 0.00 0.00 176.83 175.97 3a9s h GLU 217 N 0.00 0.53 -0.26 4.77 4.57 -1.61 -1.54 114.58 121.04 3a9s h GLU 217 Ca 0.00 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 57.99 3a9s h GLU 217 Cb 0.13 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3a9s h GLU 217 CO 0.00 0.48 -0.29 0.74 -1.18 0.00 0.00 179.01 178.76 3a9s h PHE 218 N 0.52 0.59 -0.22 0.92 -1.00 -1.28 -1.46 116.94 115.01 3a9s h PHE 218 Ca 0.12 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3a9s h PHE 218 Cb 0.19 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3a9s h PHE 218 CO 0.01 0.75 0.07 0.28 -1.61 0.00 0.00 178.31 177.81 3a9s h VAL 219 N 0.45 1.19 -0.13 -0.55 2.07 -1.37 -1.06 116.25 116.85 3a9s h VAL 219 Ca 0.06 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3a9s h VAL 219 Cb 0.73 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3a9s h VAL 219 CO 0.06 0.19 0.08 -0.09 0.02 0.00 0.00 177.57 177.82 3a9s h ARG 220 N 0.19 0.18 -0.21 1.57 2.43 -1.16 -0.80 114.38 116.58 3a9s h ARG 220 Ca 0.07 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3a9s h ARG 220 Cb 0.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3a9s h ARG 220 CO -0.00 0.17 -0.17 0.00 -1.51 0.00 0.00 179.97 178.45 3a9s h ARG 221 N 0.15 0.35 -0.09 0.20 3.08 -1.21 0.91 114.38 117.77 3a9s h ARG 221 Ca 0.05 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3a9s h ARG 221 Cb 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3a9s h ARG 221 CO -0.01 0.52 -0.16 0.82 -1.07 0.00 0.00 179.97 180.07 3a9s h ILE 222 N 0.33 1.39 -0.59 2.04 2.04 -1.01 0.17 117.51 121.88 3a9s h ILE 222 Ca 0.06 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 3a9s h ILE 222 Cb 0.50 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 3a9s h ILE 222 CO 0.03 0.41 0.11 -0.33 0.00 0.00 0.00 178.15 178.37 3a9s h GLU 223 N -0.18 0.98 -0.02 2.37 4.39 -0.93 -3.06 114.58 118.13 3a9s h GLU 223 Ca 0.01 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3a9s h GLU 223 Cb 0.74 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3a9s h GLU 223 CO 0.04 0.92 -0.03 1.28 -1.16 0.00 0.00 179.01 180.05 3a9s n LEU 224 N -4.32 1.64 -2.54 1.33 4.77 0.30 -4.95 117.00 113.22 3a9s n LEU 224 Ca 0.03 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.32 3a9s n LEU 224 Cb 0.27 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3a9s n LEU 224 CO 0.42 0.28 0.15 0.61 -1.33 0.00 0.00 177.39 177.52 3a9s n GLY 225 N 1.21 -0.04 3.25 -0.72 0.00 -0.55 -4.93 105.19 103.41 3a9s n GLY 225 Ca 0.18 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3a9s n GLY 225 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a9s n ILE 226 N -4.02 4.31 -3.62 -0.61 5.41 0.48 -4.84 119.36 116.47 3a9s n ILE 226 Ca -0.02 -4.64 -0.03 0.00 1.00 0.00 0.00 62.75 59.06 3a9s n ILE 226 Cb 0.55 -2.42 -0.01 0.00 -0.71 0.00 0.00 39.64 37.04 3a9s n ILE 226 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3a9s s TYR 227 N 1.04 -0.14 -0.61 1.39 -0.85 -1.26 -4.85 117.35 112.07 3a9s s TYR 227 Ca 0.41 0.01 -0.27 0.00 -0.52 0.00 0.00 57.07 56.70 3a9s s TYR 227 Cb 0.02 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.90 3a9s s TYR 227 CO 0.00 -0.41 1.69 0.34 -1.52 0.00 0.00 175.55 175.66 3a9s s ASP 228 N -2.65 5.58 0.34 -0.18 -1.08 -1.26 -4.85 116.67 112.57 3a9s s ASP 228 Ca 0.11 0.24 0.04 0.00 -0.52 0.00 0.00 52.55 52.42 3a9s s ASP 228 Cb 0.01 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.55 3a9s s ASP 228 CO -0.04 -2.16 1.90 0.11 0.52 0.00 0.00 175.17 175.50 3a9s h LYS 229 N 13.43 0.56 -0.49 4.34 1.57 -1.99 0.47 116.57 134.46 3a9s h LYS 229 Ca -0.27 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3a9s h LYS 229 Cb 1.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3a9s h LYS 229 CO 1.21 0.54 0.09 0.93 -0.57 0.00 0.00 179.45 181.66 3a9s h GLU 230 N 0.54 0.80 -0.55 3.15 3.07 -2.00 -1.46 114.58 118.13 3a9s h GLU 230 Ca 0.12 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.67 3a9s h GLU 230 Cb 0.27 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3a9s h GLU 230 CO 0.00 0.79 -0.05 1.49 -1.40 0.00 0.00 179.01 179.85 3a9s h GLU 231 N 0.68 1.00 -0.29 2.33 4.81 -1.84 -2.58 114.58 118.69 3a9s h GLU 231 Ca 0.15 -0.35 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3a9s h GLU 231 Cb 0.37 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3a9s h GLU 231 CO 0.01 1.02 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.38 3a9s h TYR 232 N 0.88 -0.03 -0.86 0.92 5.03 -0.57 0.25 116.97 122.59 3a9s h TYR 232 Ca 0.15 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 3a9s h TYR 232 Cb 0.61 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.91 3a9s h TYR 232 CO 0.04 -0.06 0.46 0.93 -1.32 0.00 0.00 178.16 178.21 3a9s h GLU 233 N 0.07 1.20 -0.50 1.82 4.39 -1.16 -0.07 114.58 120.33 3a9s h GLU 233 Ca 0.14 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3a9s h GLU 233 Cb 0.19 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3a9s h GLU 233 CO -0.24 0.88 -0.14 0.00 -1.16 0.00 0.00 179.01 178.36 3a9s h ARG 234 N 1.20 0.97 -0.57 2.33 3.08 -1.00 -2.65 114.38 117.74 3a9s h ARG 234 Ca 0.30 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3a9s h ARG 234 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3a9s h ARG 234 CO -0.05 1.05 0.23 0.00 -1.07 0.00 0.00 179.97 180.13 3a9s h ALA 235 N 0.89 0.74 -0.47 0.04 0.00 0.02 -1.55 119.26 118.94 3a9s h ALA 235 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a9s h ALA 235 Cb 0.70 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3a9s h ALA 235 CO 0.05 0.36 0.27 1.25 0.00 0.00 0.00 179.25 181.18 3a9s h LEU 236 N 0.79 0.43 -0.72 0.00 6.46 -0.91 0.15 115.31 121.51 3a9s h LEU 236 Ca 0.19 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 3a9s h LEU 236 Cb 0.20 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 3a9s h LEU 236 CO -0.02 0.30 0.21 0.11 -0.62 0.00 0.00 178.44 178.42 3a9s h LYS 237 N 0.54 1.13 -0.59 1.25 1.57 -1.28 -1.31 116.57 117.88 3a9s h LYS 237 Ca 0.19 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3a9s h LYS 237 Cb 0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3a9s h LYS 237 CO -0.10 0.98 0.26 2.35 -0.57 0.00 0.00 179.45 182.37 3a9s h TRP 238 N 1.07 0.87 -0.01 -1.35 7.01 -0.67 -1.36 115.95 121.51 3a9s h TRP 238 Ca 0.23 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 3a9s h TRP 238 Cb 0.33 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 3a9s h TRP 238 CO 0.03 0.68 0.00 0.28 -2.79 0.00 0.00 178.44 176.64 3a9s h VAL 239 N 0.81 1.14 -1.00 2.65 2.07 -0.75 0.34 116.25 121.51 3a9s h VAL 239 Ca 0.20 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.39 3a9s h VAL 239 Cb 0.16 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3a9s h VAL 239 CO -0.02 0.11 0.64 0.11 0.02 0.00 0.00 177.57 178.43 3a9s h LYS 240 N -0.16 1.05 0.06 1.57 1.79 -1.08 0.28 116.57 120.08 3a9s h LYS 240 Ca 0.00 -0.06 -0.25 0.00 -2.18 0.00 0.00 60.65 58.16 3a9s h LYS 240 Cb 0.18 -0.24 0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3a9s h LYS 240 CO -0.00 0.70 -1.07 1.49 -1.08 0.00 0.00 179.45 179.48 3a9s h GLU 241 N 1.08 0.37 0.00 3.15 4.57 -1.06 -3.40 114.58 119.30 3a9s h GLU 241 Ca 0.46 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3a9s h GLU 241 Cb 0.32 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3a9s h GLU 241 CO -0.21 1.16 -1.43 0.09 -1.18 0.00 0.00 179.01 177.44 3a9s n ASN 242 N -3.67 2.29 -4.32 1.04 3.02 0.09 -4.87 115.26 108.83 3a9s n ASN 242 Ca -0.08 -0.06 -0.46 0.00 -0.03 0.00 0.00 54.58 53.95 3a9s n ASN 242 Cb 0.91 1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 41.52 3a9s n ASN 242 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a9s s LYS 244 N 0.88 4.31 -0.18 0.00 -0.14 -1.26 -4.76 119.74 118.59 3a9s s LYS 244 Ca 0.11 2.01 -0.25 0.00 -1.36 0.00 0.00 55.97 56.48 3a9s s LYS 244 Cb -0.19 -3.41 -0.01 0.00 -1.68 0.00 0.00 37.83 32.53 3a9s s LYS 244 CO -0.03 -0.49 0.84 0.08 -0.76 0.00 0.00 175.35 174.98 3a9s s VAL 245 N 1.73 4.87 0.67 3.17 1.01 -1.26 -0.39 120.40 130.20 3a9s s VAL 245 Ca 0.64 1.63 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 3a9s s VAL 245 Cb -0.34 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.04 3a9s s VAL 245 CO 0.29 0.01 0.92 0.61 0.00 0.00 0.00 175.10 176.92 3a9s n GLY 246 N 3.50 0.22 3.69 4.51 0.00 0.17 -4.84 105.19 112.43 3a9s n GLY 246 Ca 0.05 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 3a9s n GLY 246 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a9s n PRO 247 N -2.77 1.89 -3.02 1.61 -0.02 -1.26 -4.60 135.00 126.84 3a9s n PRO 247 Ca 0.14 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 3a9s n PRO 247 Cb 0.51 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3a9s n PRO 247 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a9s s ASP 248 N -0.50 6.52 0.00 2.55 -1.08 -1.26 -4.49 116.67 118.40 3a9s s ASP 248 Ca 0.60 0.34 0.28 0.00 -0.52 0.00 0.00 52.55 53.24 3a9s s ASP 248 Cb -0.53 -2.37 1.05 0.00 -1.46 0.00 0.00 42.92 39.61 3a9s s ASP 248 CO 0.59 -0.65 1.76 0.59 0.52 0.00 0.00 175.17 177.98 3a9s n ASN 249 N 6.21 0.46 -4.75 -0.34 4.13 -1.26 -4.88 115.26 114.83 3a9s n ASN 249 Ca 0.01 -0.39 -0.41 0.00 1.68 0.00 0.00 54.58 55.48 3a9s n ASN 249 Cb 0.48 -0.06 -0.02 0.00 -1.54 0.00 0.00 39.78 38.64 3a9s n ASN 249 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3a9s s ASN 250 N -2.65 6.62 0.23 6.41 0.01 -1.26 -4.99 114.94 119.32 3a9s s ASN 250 Ca 0.23 2.74 -0.08 0.00 -0.71 0.00 0.00 52.86 55.03 3a9s s ASN 250 Cb 0.19 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 39.15 3a9s s ASN 250 CO 0.53 -0.70 0.54 -0.13 -1.51 0.00 0.00 177.10 175.82 3a9s s ARG 251 N -0.86 3.75 0.00 -0.60 1.81 -1.26 -4.57 118.95 117.22 3a9s s ARG 251 Ca 0.57 0.19 0.00 0.00 -1.72 0.00 0.00 55.73 54.77 3a9s s ARG 251 Cb -0.42 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 3a9s s ARG 251 CO 0.48 0.31 0.00 -0.40 -0.68 0.00 0.00 175.30 175.00 3a9s n ASP 252 N -0.28 0.00 -0.97 0.23 3.85 -1.26 0.81 116.55 118.93 3a9s n ASP 252 Ca -0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3a9s n ASP 252 Cb 0.53 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 3a9s n ASP 252 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a9s n GLY 253 N 0.00 1.69 0.00 6.12 0.00 -1.26 -3.22 105.19 108.52 3a9s n GLY 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a9s n GLY 253 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a9s n PHE 254 N 0.54 0.00 -2.68 1.61 3.72 0.24 -5.07 117.46 115.82 3a9s n PHE 254 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3a9s n PHE 254 Cb 0.42 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.90 3a9s n PHE 254 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3a9s s LYS 255 N -0.29 4.76 0.44 -1.08 1.02 -1.20 -4.59 119.74 118.79 3a9s s LYS 255 Ca 0.00 1.55 -0.09 0.00 0.02 0.00 0.00 55.97 57.45 3a9s s LYS 255 Cb 0.00 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 3a9s s LYS 255 CO 0.00 0.34 0.78 1.03 -0.92 0.00 0.00 175.35 176.59 3a9s s ARG 256 N -0.81 3.69 0.88 1.68 0.52 -1.26 -5.06 118.95 118.59 3a9s s ARG 256 Ca 0.44 0.39 -0.12 0.00 -0.52 0.00 0.00 55.73 55.92 3a9s s ARG 256 Cb -0.27 -2.37 0.12 0.00 0.52 0.00 0.00 34.95 32.95 3a9s s ARG 256 CO 0.33 -0.11 1.10 0.95 0.02 0.00 0.00 175.30 177.58 3a9s s THR 257 N -2.53 2.65 0.29 0.02 -4.23 -1.26 -4.79 115.64 105.80 3a9s s THR 257 Ca 0.50 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 3a9s s THR 257 Cb -0.10 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 71.20 3a9s s THR 257 CO 0.37 -0.28 1.95 -0.08 -0.54 0.00 0.00 174.62 176.04 3a9s h GLU 258 N -1.47 1.06 -0.40 3.99 4.81 -1.99 0.35 114.58 120.93 3a9s h GLU 258 Ca -0.49 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 3a9s h GLU 258 Cb 1.29 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3a9s h GLU 258 CO 0.56 0.73 -0.09 1.49 -0.73 0.00 0.00 179.01 180.97 3a9s h GLU 259 N 1.08 0.77 -0.64 1.92 4.81 -2.00 -2.33 114.58 118.19 3a9s h GLU 259 Ca 0.28 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3a9s h GLU 259 Cb -0.07 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3a9s h GLU 259 CO -0.06 0.90 0.20 1.96 -0.73 0.00 0.00 179.01 181.28 3a9s h GLN 260 N 0.58 0.99 -0.31 1.92 4.20 -1.76 -2.22 115.11 118.51 3a9s h GLN 260 Ca 0.10 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3a9s h GLN 260 Cb 0.61 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3a9s h GLN 260 CO 0.04 0.87 0.05 0.87 -0.67 0.00 0.00 178.83 179.99 3a9s h LYS 261 N 0.92 0.45 -0.20 1.46 1.57 -0.83 0.13 116.57 120.07 3a9s h LYS 261 Ca 0.21 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3a9s h LYS 261 Cb 0.29 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3a9s h LYS 261 CO -0.01 0.43 -0.23 1.49 -0.57 0.00 0.00 179.45 180.57 3a9s h GLU 262 N 0.44 0.51 -0.12 3.15 4.57 -1.09 -2.81 114.58 119.23 3a9s h GLU 262 Ca 0.10 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 57.94 3a9s h GLU 262 Cb 0.21 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3a9s h GLU 262 CO -0.00 0.87 -0.23 -0.22 -1.18 0.00 0.00 179.01 178.25 3a9s h LYS 263 N 0.19 0.21 -0.92 1.92 3.64 -0.92 -2.09 116.57 118.59 3a9s h LYS 263 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3a9s h LYS 263 Cb 0.79 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 3a9s h LYS 263 CO 0.06 0.43 0.59 -0.44 -2.27 0.00 0.00 179.45 177.82 3a9s h ASP 264 N 0.19 1.07 -0.18 4.20 3.32 -0.60 -0.18 116.42 124.24 3a9s h ASP 264 Ca 0.03 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3a9s h ASP 264 Cb 0.51 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3a9s h ASP 264 CO 0.03 0.79 -0.19 -0.50 -1.72 0.00 0.00 179.24 177.66 3a9s h TRP 265 N 1.26 0.54 -0.29 4.55 -0.00 -1.16 -0.67 115.95 120.18 3a9s h TRP 265 Ca 0.34 -0.16 0.03 0.00 -0.00 0.00 0.00 58.89 59.09 3a9s h TRP 265 Cb -0.12 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 28.90 3a9s h TRP 265 CO 0.00 0.82 0.12 0.93 -0.00 0.00 0.00 178.44 180.31 3a9s h GLU 266 N 0.11 0.26 -0.46 0.49 5.08 -1.01 -0.94 114.58 118.11 3a9s h GLU 266 Ca 0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3a9s h GLU 266 Cb 0.73 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3a9s h GLU 266 CO 0.05 0.17 -0.13 0.82 -1.00 0.00 0.00 179.01 178.92 3a9s h ILE 267 N 0.26 1.27 -0.98 3.13 1.08 -1.07 -1.84 117.51 119.37 3a9s h ILE 267 Ca 0.13 -1.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.38 3a9s h ILE 267 Cb 0.07 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 3a9s h ILE 267 CO -0.11 0.43 0.63 0.28 -0.69 0.00 0.00 178.15 178.70 3a9s h SER 268 N 0.75 1.04 -0.26 1.72 0.02 -0.76 0.11 113.55 116.16 3a9s h SER 268 Ca 0.12 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 3a9s h SER 268 Cb 0.68 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3a9s h SER 268 CO 0.05 0.69 -0.30 0.58 -1.14 0.00 0.00 176.83 176.71 3a9s h VAL 269 N 1.19 1.31 -0.57 2.27 2.07 -1.03 -2.64 116.25 118.86 3a9s h VAL 269 Ca 0.41 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 3a9s h VAL 269 Cb 0.08 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3a9s h VAL 269 CO -0.15 0.47 0.27 0.11 0.02 0.00 0.00 177.57 178.29 3a9s h LYS 270 N 0.40 0.79 -0.71 1.57 1.57 -0.74 -2.07 116.57 117.37 3a9s h LYS 270 Ca 0.04 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3a9s h LYS 270 Cb 0.87 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3a9s h LYS 270 CO 0.07 0.62 0.35 0.52 -0.57 0.00 0.00 179.45 180.44 3a9s h MET 271 N 0.79 1.02 -0.41 3.15 2.86 -0.68 -0.45 114.93 121.21 3a9s h MET 271 Ca 0.20 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3a9s h MET 271 Cb 0.08 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3a9s h MET 271 CO -0.03 0.80 0.20 0.00 1.06 0.00 0.00 176.91 178.94 3a9s h ALA 272 N 1.17 0.53 -0.27 6.32 0.00 -1.03 -0.35 119.26 125.63 3a9s h ALA 272 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a9s h ALA 272 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a9s h ALA 272 CO -0.03 0.09 0.14 -0.07 0.00 0.00 0.00 179.25 179.37 3a9s h LEU 273 N 0.53 0.35 -0.52 0.00 3.38 -1.06 -2.04 115.31 115.95 3a9s h LEU 273 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3a9s h LEU 273 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3a9s h LEU 273 CO -0.02 0.36 0.27 0.40 0.09 0.00 0.00 178.44 179.55 3a9s h ILE 274 N 0.31 1.18 -0.30 1.22 2.04 -0.93 0.12 117.51 121.16 3a9s h ILE 274 Ca 0.09 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3a9s h ILE 274 Cb 0.10 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3a9s h ILE 274 CO -0.01 0.20 0.20 0.00 0.00 0.00 0.00 178.15 178.53 3a9s h ALA 275 N 1.11 0.38 -0.42 1.87 0.00 -0.95 0.09 119.26 121.34 3a9s h ALA 275 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a9s h ALA 275 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3a9s h ALA 275 CO -0.03 -0.14 0.16 -0.09 0.00 0.00 0.00 179.25 179.15 3a9s h ARG 276 N 0.40 0.64 -0.64 0.00 2.43 -1.19 -1.88 114.38 114.15 3a9s h ARG 276 Ca 0.11 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3a9s h ARG 276 Cb -0.03 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3a9s h ARG 276 CO -0.02 0.61 0.42 -0.44 -1.51 0.00 0.00 179.97 179.03 3a9s h ASP 277 N 0.54 0.72 -0.38 -3.80 3.32 -0.65 -1.59 116.42 114.59 3a9s h ASP 277 Ca 0.14 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3a9s h ASP 277 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3a9s h ASP 277 CO -0.01 0.52 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.70 3a9s h LEU 278 N 0.85 0.92 -0.16 1.55 3.38 -0.59 0.17 115.31 121.43 3a9s h LEU 278 Ca 0.24 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3a9s h LEU 278 Cb -0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 3a9s h LEU 278 CO -0.05 1.12 -0.17 0.24 0.09 0.00 0.00 178.44 179.67 3a9s h MET 279 N 0.76 0.40 0.00 1.13 2.86 -0.58 0.15 114.93 119.65 3a9s h MET 279 Ca 0.09 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3a9s h MET 279 Cb 0.81 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3a9s h MET 279 CO 0.07 0.77 0.00 1.33 1.06 0.00 0.00 176.91 180.14 3a9s n VAL 280 N -4.52 0.47 -0.16 -2.22 0.24 -0.67 -0.76 118.33 110.71 3a9s n VAL 280 Ca -0.06 -0.61 0.02 0.00 -2.04 0.00 0.00 64.34 61.65 3a9s n VAL 280 Cb 0.38 0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 33.60 3a9s n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a9s n GLY 281 N -0.24 -1.46 3.31 7.63 0.00 0.60 -4.73 105.19 110.30 3a9s n GLY 281 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.55 3a9s n GLY 281 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a9s s ASN 282 N -3.05 -1.14 0.48 1.61 3.84 -0.14 -4.60 114.94 111.94 3a9s s ASN 282 Ca 0.00 0.99 0.17 0.00 0.21 0.00 0.00 52.86 54.23 3a9s s ASN 282 Cb 0.00 2.06 1.16 0.00 -0.55 0.00 0.00 41.25 43.93 3a9s s ASN 282 CO 0.00 -0.21 2.03 0.07 -2.79 0.00 0.00 177.10 176.19 3a9s h LYS 283 N 7.95 0.22 -0.75 0.43 -0.00 -1.95 -1.29 116.57 121.18 3a9s h LYS 283 Ca -0.20 -0.01 0.07 0.00 -0.00 0.00 0.00 60.65 60.51 3a9s h LYS 283 Cb 1.14 -0.05 -0.05 0.00 -0.00 0.00 0.00 32.23 33.27 3a9s h LYS 283 CO 0.16 0.15 0.49 -0.22 -0.00 0.00 0.00 179.45 180.02 3a9s h LYS 284 N 0.23 0.73 -0.17 0.07 1.63 -1.96 -1.08 116.57 116.02 3a9s h LYS 284 Ca 0.20 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3a9s h LYS 284 Cb 0.49 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 3a9s h LYS 284 CO -0.04 0.49 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.31 3a9s h LEU 285 N 0.76 0.24 -0.35 5.20 3.38 -1.54 -2.21 115.31 120.78 3a9s h LEU 285 Ca 0.33 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3a9s h LEU 285 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3a9s h LEU 285 CO -0.12 0.35 -0.13 -0.08 0.09 0.00 0.00 178.44 178.55 3a9s h GLU 286 N 0.26 0.71 0.00 1.13 4.81 -1.29 0.11 114.58 120.32 3a9s h GLU 286 Ca 0.06 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3a9s h GLU 286 Cb 0.29 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3a9s h GLU 286 CO 0.01 0.89 -0.07 0.93 -0.73 0.00 0.00 179.01 180.05 3a9s h GLU 287 N 0.50 0.00 -0.00 1.92 5.08 -1.27 -1.11 114.58 119.69 3a9s h GLU 287 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3a9s h GLU 287 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3a9s h GLU 287 CO 0.04 0.07 -0.23 -1.33 -1.00 0.00 0.00 179.01 176.57 3a9s n MET 288 N -3.47 0.41 -0.10 2.33 2.81 -0.87 -4.91 117.12 113.32 3a9s n MET 288 Ca -0.02 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 3a9s n MET 288 Cb 0.20 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3a9s n MET 288 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a9s n GLY 289 N 1.39 0.94 2.58 3.03 0.00 -0.42 -5.02 105.19 107.69 3a9s n GLY 289 Ca 0.10 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3a9s n GLY 289 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a9s n TYR 290 N -2.10 3.59 -0.31 1.61 4.02 0.36 -4.93 117.16 119.41 3a9s n TYR 290 Ca 0.00 -4.08 -0.00 0.00 -0.01 0.00 0.00 57.90 53.81 3a9s n TYR 290 Cb 0.00 -0.53 0.18 0.00 -0.02 0.00 0.00 39.34 38.98 3a9s n TYR 290 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3a9s h GLY 291 N 3.75 1.27 0.69 2.72 0.00 -1.80 -1.33 103.07 108.37 3a9s h GLY 291 Ca 0.17 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3a9s h GLY 291 CO 0.81 0.43 -0.05 -2.09 0.00 0.00 0.00 176.54 175.65 3a9s h GLU 292 N 1.18 0.21 -0.21 4.80 4.81 -1.94 -3.04 114.58 120.39 3a9s h GLU 292 Ca 0.34 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3a9s h GLU 292 Cb -0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3a9s h GLU 292 CO -0.08 0.57 0.09 0.93 -0.73 0.00 0.00 179.01 179.79 3a9s h GLU 293 N -0.15 0.29 0.00 1.92 3.07 -1.92 -2.23 114.58 115.55 3a9s h GLU 293 Ca 0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3a9s h GLU 293 Cb 0.50 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3a9s h GLU 293 CO 0.02 0.24 -0.06 0.00 -1.40 0.00 0.00 179.01 177.80 3a9s h ALA 294 N 1.81 1.35 -0.46 3.43 0.00 -1.12 -3.05 119.26 121.22 3a9s h ALA 294 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a9s h ALA 294 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3a9s h ALA 294 CO -0.01 0.08 -0.03 -0.07 0.00 0.00 0.00 179.25 179.22 3a9s h LEU 295 N 0.00 0.82 0.00 0.00 3.38 -1.43 -0.33 115.31 117.75 3a9s h LEU 295 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3a9s h LEU 295 Cb 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3a9s h LEU 295 CO 0.01 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.09 3a9s n GLY 296 N -0.33 -1.21 1.03 0.83 0.00 -1.15 -4.03 105.19 100.33 3a9s n GLY 296 Ca 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.49 3a9s n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9s n ARG 297 N -1.33 3.20 -4.06 1.61 5.12 0.52 -4.82 116.66 116.90 3a9s n ARG 297 Ca 0.00 -2.61 -0.29 0.00 -1.93 0.00 0.00 57.85 53.03 3a9s n ARG 297 Cb 0.00 -1.68 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 3a9s n ARG 297 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3a9s n ASN 298 N 0.31 -1.05 -4.63 0.55 5.15 -1.03 -4.56 115.26 109.99 3a9s n ASN 298 Ca 0.20 -1.03 -0.37 0.00 -0.60 0.00 0.00 54.58 52.77 3a9s n ASN 298 Cb 0.75 -2.86 -0.10 0.00 -0.53 0.00 0.00 39.78 37.04 3a9s n ASN 298 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a9s s ALA 299 N -3.81 3.58 -1.41 5.20 0.00 0.06 -1.44 121.76 123.94 3a9s s ALA 299 Ca 0.21 -0.90 0.27 0.00 0.00 0.00 0.00 51.96 51.53 3a9s s ALA 299 Cb -0.11 -2.45 0.79 0.00 0.00 0.00 0.00 23.12 21.35 3a9s s ALA 299 CO 0.91 -0.36 1.59 1.51 0.00 0.00 0.00 175.76 179.41 3a9s n ILE 300 N 4.61 0.00 -3.59 0.00 3.06 -0.84 -4.67 119.36 117.93 3a9s n ILE 300 Ca -0.13 -0.06 -0.16 0.00 -2.50 0.00 0.00 62.75 59.90 3a9s n ILE 300 Cb 0.52 0.19 -0.07 0.00 0.54 0.00 0.00 39.64 40.82 3a9s n ILE 300 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3a9s s VAL 301 N -2.71 0.01 0.30 9.51 0.11 -1.23 -4.35 120.40 122.02 3a9s s VAL 301 Ca 0.20 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.11 3a9s s VAL 301 Cb 0.19 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 3a9s s VAL 301 CO 0.58 -0.02 0.51 0.00 -3.33 0.00 0.00 175.10 172.83 3a9s s ALA 302 N -0.62 0.06 0.05 1.54 0.00 -0.90 -1.50 121.76 120.38 3a9s s ALA 302 Ca -0.07 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 3a9s s ALA 302 Cb -0.02 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.16 3a9s s ALA 302 CO 0.06 -0.85 0.19 0.20 0.00 0.00 0.00 175.76 175.37 3a9s s GLY 303 N -3.10 0.04 -0.14 0.00 0.00 -0.55 -0.05 107.32 103.52 3a9s s GLY 303 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3a9s s GLY 303 CO 0.13 -0.52 -0.11 -0.12 0.00 0.00 0.00 173.10 172.48 3a9s s PHE 304 N -2.80 1.93 0.10 1.90 5.36 -0.58 -1.21 117.98 122.67 3a9s s PHE 304 Ca -0.03 -1.07 -0.31 0.00 -0.96 0.00 0.00 56.93 54.56 3a9s s PHE 304 Cb 0.00 -1.46 -0.12 0.00 -0.34 0.00 0.00 43.02 41.10 3a9s s PHE 304 CO -0.05 -0.62 1.60 0.37 -1.46 0.00 0.00 175.22 175.06 3a9s h GLN 305 N 8.09 -0.68 0.00 10.12 4.15 -1.14 -0.65 115.11 135.00 3a9s h GLN 305 Ca -0.34 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3a9s h GLN 305 Cb 1.13 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3a9s h GLN 305 CO 0.48 -0.45 0.00 0.41 -1.93 0.00 0.00 178.83 177.34 3a9s n GLY 306 N -1.46 1.45 3.77 2.39 0.00 -1.26 -3.88 105.19 106.19 3a9s n GLY 306 Ca -0.09 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3a9s n GLY 306 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a9s s GLN 307 N 0.00 4.22 -0.13 1.61 -0.21 -1.26 -1.48 119.66 122.41 3a9s s GLN 307 Ca 0.00 2.06 0.19 0.00 0.02 0.00 0.00 55.36 57.62 3a9s s GLN 307 Cb 0.00 -2.91 -0.26 0.00 1.00 0.00 0.00 33.01 30.83 3a9s s GLN 307 CO 0.00 -0.24 0.26 0.54 -2.12 0.00 0.00 175.29 173.73 3a9s n ARG 308 N 0.51 0.67 -0.00 2.91 5.12 -1.26 -4.09 116.66 120.52 3a9s n ARG 308 Ca 0.02 -0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.82 3a9s n ARG 308 Cb 0.44 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.15 3a9s n ARG 308 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3a9s h GLN 309 N 0.00 -0.13 0.03 5.56 7.50 -1.96 -1.53 115.11 124.59 3a9s h GLN 309 Ca -0.37 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 58.79 3a9s h GLN 309 Cb 1.87 0.03 0.00 0.00 0.05 0.00 0.00 27.48 29.43 3a9s h GLN 309 CO 0.03 -0.08 -0.01 2.35 -1.50 0.00 0.00 178.83 179.61 3a9s h TRP 310 N -0.13 -0.04 0.00 2.96 2.91 -1.60 -3.26 115.95 116.79 3a9s h TRP 310 Ca 0.09 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.10 3a9s h TRP 310 Cb 0.26 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 3a9s h TRP 310 CO -0.23 0.44 0.00 1.79 -1.03 0.00 0.00 178.44 179.41 3a9s h THR 311 N -0.53 0.00 0.00 2.65 1.35 -1.56 0.17 112.91 114.99 3a9s h THR 311 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3a9s h THR 311 Cb 0.49 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3a9s h THR 311 CO 0.01 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.75 3a9s n ASP 312 N -2.82 0.24 0.00 5.36 8.00 -0.58 -1.27 116.55 125.48 3a9s n ASP 312 Ca -0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3a9s n ASP 312 Cb 0.19 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3a9s n ASP 312 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a9s n TYR 313 N -1.76 0.00 -3.99 1.24 4.19 -0.89 -4.38 117.16 111.58 3a9s n TYR 313 Ca 0.04 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.03 3a9s n TYR 313 Cb 0.22 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.00 3a9s n TYR 313 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 3a9s s PHE 314 N -1.10 2.85 0.45 2.98 0.08 0.54 -4.41 117.98 119.37 3a9s s PHE 314 Ca 0.00 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.50 3a9s s PHE 314 Cb 0.00 -1.64 -0.09 0.00 -0.57 0.00 0.00 43.02 40.72 3a9s s PHE 314 CO 0.00 0.32 1.36 -2.30 -0.10 0.00 0.00 175.22 174.49 3a9s n PRO 315 N -1.23 2.07 -1.20 0.24 -0.02 -1.11 -3.84 135.00 129.91 3a9s n PRO 315 Ca -0.03 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 3a9s n PRO 315 Cb 0.60 -2.52 0.19 0.00 -0.02 0.00 0.00 33.50 31.75 3a9s n PRO 315 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a9s s ASN 316 N -0.53 2.30 -0.03 2.55 2.20 -0.11 -4.82 114.94 116.50 3a9s s ASN 316 Ca 0.62 1.01 0.09 0.00 -0.94 0.00 0.00 52.86 53.63 3a9s s ASN 316 Cb -0.47 -1.56 0.29 0.00 -2.00 0.00 0.00 41.25 37.51 3a9s s ASN 316 CO 0.57 -3.31 1.17 0.61 -2.94 0.00 0.00 177.10 173.20 3a9s n GLY 317 N -1.23 0.91 0.22 0.45 0.00 -1.26 -4.46 105.19 99.83 3a9s n GLY 317 Ca 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 3a9s n GLY 317 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a9s h ASP 318 N 1.77 -0.56 -0.32 1.61 3.32 -1.87 0.13 116.42 120.51 3a9s h ASP 318 Ca 0.00 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3a9s h ASP 318 Cb 0.61 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3a9s h ASP 318 CO 0.06 -0.23 0.11 0.15 -1.72 0.00 0.00 179.24 177.61 3a9s h PHE 319 N -0.22 0.50 -0.28 4.55 3.04 -1.77 0.62 116.94 123.37 3a9s h PHE 319 Ca 0.10 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.04 3a9s h PHE 319 Cb 0.37 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 3a9s h PHE 319 CO -0.30 0.49 0.07 1.98 -2.02 0.00 0.00 178.31 178.53 3a9s h MET 320 N 0.36 0.17 -0.08 1.11 4.05 -1.72 0.12 114.93 118.94 3a9s h MET 320 Ca 0.10 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 3a9s h MET 320 Cb 0.22 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 3a9s h MET 320 CO -0.01 0.11 -0.39 0.93 0.23 0.00 0.00 176.91 177.79 3a9s h GLU 321 N 0.18 0.17 0.10 0.39 5.08 -0.63 -1.74 114.58 118.13 3a9s h GLU 321 Ca 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3a9s h GLU 321 Cb 0.12 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3a9s h GLU 321 CO -0.16 0.54 -0.05 1.15 -1.00 0.00 0.00 179.01 179.49 3a9s h THR 322 N 0.15 1.11 -0.38 1.13 2.02 -0.26 -3.21 112.91 113.46 3a9s h THR 322 Ca 0.01 -1.16 -0.13 0.00 0.77 0.00 0.00 66.41 65.91 3a9s h THR 322 Cb 0.75 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3a9s h THR 322 CO 0.06 0.27 -0.27 -0.29 0.37 0.00 0.00 175.52 175.66 3a9s h ILE 323 N -0.71 1.28 -0.92 3.11 6.09 -0.78 -2.90 117.51 122.68 3a9s h ILE 323 Ca -0.01 -1.43 0.01 0.00 -1.37 0.00 0.00 64.86 62.06 3a9s h ILE 323 Cb 0.54 1.35 -0.05 0.00 0.47 0.00 0.00 36.82 39.14 3a9s h ILE 323 CO 0.02 0.48 0.61 -0.07 -3.07 0.00 0.00 178.15 176.11 3a9s h LEU 324 N 0.67 1.06 -0.12 2.19 3.38 -1.46 -1.99 115.31 119.04 3a9s h LEU 324 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a9s h LEU 324 Cb 0.84 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3a9s h LEU 324 CO 0.07 0.78 0.00 0.59 0.09 0.00 0.00 178.44 179.97 3a9s n ASN 325 N -4.43 0.35 -4.84 -0.43 3.02 -1.21 -0.56 115.26 107.15 3a9s n ASN 325 Ca 0.10 0.55 -0.30 0.00 -0.03 0.00 0.00 54.58 54.90 3a9s n ASN 325 Cb 0.02 -0.64 0.07 0.00 -0.61 0.00 0.00 39.78 38.62 3a9s n ASN 325 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3a9s s SER 326 N -3.65 5.00 -0.15 6.41 0.01 -0.75 -4.50 113.70 116.07 3a9s s SER 326 Ca 0.10 1.28 0.10 0.00 1.31 0.00 0.00 55.95 58.74 3a9s s SER 326 Cb 0.13 -2.06 0.55 0.00 0.21 0.00 0.00 66.02 64.86 3a9s s SER 326 CO 0.47 -1.64 1.35 -1.54 0.41 0.00 0.00 173.24 172.29 3a9s n SER 327 N -3.22 4.15 -3.54 2.44 3.41 -1.26 -4.04 113.62 111.55 3a9s n SER 327 Ca 0.07 -2.60 -0.07 0.00 -0.26 0.00 0.00 58.87 56.02 3a9s n SER 327 Cb 0.56 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 3a9s n SER 327 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3a9s s PHE 328 N -2.15 -0.26 0.00 7.33 -0.12 -1.26 -1.26 117.98 120.26 3a9s s PHE 328 Ca 0.37 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.43 3a9s s PHE 328 Cb 0.28 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 43.19 3a9s s PHE 328 CO 0.12 -0.39 0.00 -0.40 -0.05 0.00 0.00 175.22 174.49 3a9s n ASP 329 N -0.13 0.00 0.34 1.98 5.68 -0.95 -4.95 116.55 118.51 3a9s n ASP 329 Ca -0.05 -0.05 0.21 0.00 -0.50 0.00 0.00 54.79 54.40 3a9s n ASP 329 Cb 0.60 0.00 1.13 0.00 -1.14 0.00 0.00 41.12 41.71 3a9s n ASP 329 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3a9s h TRP 330 N 0.05 0.00 -0.24 2.11 0.09 -1.95 0.14 115.95 116.15 3a9s h TRP 330 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3a9s h TRP 330 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 3a9s h TRP 330 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.44 178.62 3a9s n ASN 331 N -3.02 2.50 0.00 0.11 3.02 -1.26 -4.99 115.26 111.62 3a9s n ASN 331 Ca -0.03 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 3a9s n ASN 331 Cb 0.14 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3a9s n ASN 331 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a9s n GLY 332 N 1.30 -2.24 3.77 7.41 0.00 0.04 -4.97 105.19 110.49 3a9s n GLY 332 Ca 0.17 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 3a9s n GLY 332 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a9s s LYS 333 N -0.27 3.93 0.19 1.61 -2.85 -1.26 -2.24 119.74 118.85 3a9s s LYS 333 Ca 0.00 2.03 -0.24 0.00 -1.00 0.00 0.00 55.97 56.76 3a9s s LYS 333 Cb 0.00 -2.68 0.05 0.00 -2.06 0.00 0.00 37.83 33.15 3a9s s LYS 333 CO 0.00 -0.48 0.80 -0.98 0.10 0.00 0.00 175.35 174.79 3a9s s ARG 334 N -2.33 1.40 0.44 1.78 1.70 -0.39 -4.92 118.95 116.62 3a9s s ARG 334 Ca 0.58 -0.72 -0.24 0.00 -0.47 0.00 0.00 55.73 54.89 3a9s s ARG 334 Cb -0.35 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.47 3a9s s ARG 334 CO 0.44 -0.64 1.17 0.00 -1.08 0.00 0.00 175.30 175.20 3a9s s ALA 335 N -3.60 3.05 0.92 7.88 0.00 -1.26 -4.16 121.76 124.58 3a9s s ALA 335 Ca 0.09 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 3a9s s ALA 335 Cb -0.03 -3.38 0.14 0.00 0.00 0.00 0.00 23.12 19.85 3a9s s ALA 335 CO 0.00 -0.61 1.10 -2.14 0.00 0.00 0.00 175.76 174.11 3a9s s PRO 336 N -2.54 1.06 -0.31 0.00 0.02 -1.26 -4.91 135.00 127.06 3a9s s PRO 336 Ca 0.61 1.07 -0.01 0.00 0.02 0.00 0.00 61.00 62.69 3a9s s PRO 336 Cb -0.29 -1.77 0.06 0.00 0.02 0.00 0.00 34.50 32.52 3a9s s PRO 336 CO 0.36 -2.45 0.01 0.71 -0.33 0.00 0.00 177.00 175.31 3a9s s TYR 337 N -2.79 3.34 -0.16 6.54 2.02 0.27 -5.00 117.35 121.58 3a9s s TYR 337 Ca 0.65 -2.09 -0.29 0.00 -0.37 0.00 0.00 57.07 54.97 3a9s s TYR 337 Cb -0.20 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 3a9s s TYR 337 CO 0.58 -0.85 1.97 0.42 -1.57 0.00 0.00 175.55 176.10 3a9s s ILE 338 N 1.19 3.22 -0.08 2.71 -1.09 -1.26 -3.60 121.20 122.30 3a9s s ILE 338 Ca -0.03 0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.63 3a9s s ILE 338 Cb -0.20 -3.24 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3a9s s ILE 338 CO -0.02 -0.11 -0.02 0.12 -1.23 0.00 0.00 174.94 173.67 3a9s s PHE 339 N 6.39 0.88 -0.08 3.97 2.19 -1.26 -2.11 117.98 127.95 3a9s s PHE 339 Ca 0.88 -0.31 -0.20 0.00 0.33 0.00 0.00 56.93 57.63 3a9s s PHE 339 Cb -0.33 -0.88 -0.04 0.00 -1.31 0.00 0.00 43.02 40.46 3a9s s PHE 339 CO 0.35 -0.35 0.56 0.00 1.83 0.00 0.00 175.22 177.61 3a9s s ALA 340 N 1.73 3.44 0.50 11.12 0.00 0.92 -4.92 121.76 134.56 3a9s s ALA 340 Ca 0.02 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3a9s s ALA 340 Cb -0.13 -2.74 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 3a9s s ALA 340 CO -0.05 0.01 1.08 0.99 0.00 0.00 0.00 175.76 177.80 3a9s s THR 341 N 0.49 3.49 -1.21 0.00 2.01 -1.26 -1.53 115.64 117.62 3a9s s THR 341 Ca 0.30 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.25 3a9s s THR 341 Cb -0.16 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3a9s s THR 341 CO 0.14 -0.18 0.00 -0.62 -0.69 0.00 0.00 174.62 173.27 3a9s n GLU 342 N -1.01 -2.06 -3.51 4.92 1.02 -0.87 -2.10 120.64 117.03 3a9s n GLU 342 Ca 0.10 0.69 -0.24 0.00 -0.02 0.00 0.00 57.16 57.69 3a9s n GLU 342 Cb 0.51 -5.27 -0.02 0.00 -0.02 0.00 0.00 31.44 26.64 3a9s n GLU 342 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3a9s n ASN 343 N -1.73 -2.73 -4.56 1.62 5.15 -0.30 -4.31 115.26 108.38 3a9s n ASN 343 Ca -0.16 -0.45 -0.42 0.00 -0.60 0.00 0.00 54.58 52.95 3a9s n ASN 343 Cb 0.61 -2.32 -0.02 0.00 -0.53 0.00 0.00 39.78 37.53 3a9s n ASN 343 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3a9s s ASP 344 N -2.73 6.63 0.53 1.20 -1.08 -0.89 -4.11 116.67 116.23 3a9s s ASP 344 Ca 0.44 -1.85 0.19 0.00 -0.52 0.00 0.00 52.55 50.82 3a9s s ASP 344 Cb -0.24 -2.57 1.39 0.00 -1.46 0.00 0.00 42.92 40.04 3a9s s ASP 344 CO 0.54 -1.37 2.17 -0.55 0.52 0.00 0.00 175.17 176.48 3a9s h ASN 345 N 8.93 0.00 0.40 -0.34 7.08 -1.61 -0.49 115.58 129.55 3a9s h ASN 345 Ca 0.29 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.36 3a9s h ASN 345 Cb 0.96 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.18 3a9s h ASN 345 CO 1.43 0.01 -0.62 -0.07 -2.08 0.00 0.00 177.43 176.10 3a9s h LEU 346 N 0.00 0.25 -0.29 6.14 3.38 -1.85 -0.49 115.31 122.44 3a9s h LEU 346 Ca -0.00 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.64 3a9s h LEU 346 Cb 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3a9s h LEU 346 CO 0.00 0.81 -0.87 -1.13 0.09 0.00 0.00 178.44 177.34 3a9s h ASN 347 N 0.16 0.11 -0.60 -0.43 -1.24 -1.55 -1.59 115.58 110.43 3a9s h ASN 347 Ca -0.01 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.90 3a9s h ASN 347 Cb 1.13 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 40.12 3a9s h ASN 347 CO 0.10 0.92 0.35 1.23 -1.29 0.00 0.00 177.43 178.74 3a9s h GLY 348 N 2.24 0.88 1.44 1.57 0.00 -0.73 0.91 103.07 109.37 3a9s h GLY 348 Ca -0.03 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3a9s h GLY 348 CO 0.12 0.36 -0.38 -2.22 0.00 0.00 0.00 176.54 174.42 3a9s h ILE 349 N 0.81 1.29 -0.78 2.60 1.08 -1.02 0.88 117.51 122.38 3a9s h ILE 349 Ca 0.21 -1.54 0.02 0.00 -0.39 0.00 0.00 64.86 63.16 3a9s h ILE 349 Cb -0.00 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 3a9s h ILE 349 CO -0.04 0.49 0.51 0.28 -0.69 0.00 0.00 178.15 178.70 3a9s h SER 350 N 0.52 0.86 -0.29 1.72 0.02 -0.67 0.47 113.55 116.18 3a9s h SER 350 Ca 0.05 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3a9s h SER 350 Cb 0.90 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3a9s h SER 350 CO 0.08 0.61 -0.03 0.24 -1.14 0.00 0.00 176.83 176.59 3a9s h MET 351 N 1.02 0.53 -0.75 3.45 2.86 -0.52 -3.04 114.93 118.48 3a9s h MET 351 Ca 0.30 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3a9s h MET 351 Cb -0.06 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 3a9s h MET 351 CO -0.08 0.70 0.44 1.25 1.06 0.00 0.00 176.91 180.28 3a9s h LEU 352 N 0.31 0.68 0.09 1.22 5.85 -0.07 0.76 115.31 124.15 3a9s h LEU 352 Ca 0.08 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3a9s h LEU 352 Cb 0.48 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3a9s h LEU 352 CO 0.02 0.43 -0.22 -0.26 -0.34 0.00 0.00 178.44 178.07 3a9s h PHE 353 N 0.81 -0.59 -0.79 1.25 0.05 -0.89 0.85 116.94 117.63 3a9s h PHE 353 Ca 0.33 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 62.11 3a9s h PHE 353 Cb 0.18 0.25 -0.04 0.00 2.00 0.00 0.00 35.95 38.34 3a9s h PHE 353 CO -0.06 -0.32 0.39 0.78 -0.18 0.00 0.00 178.31 178.93 3a9s h GLY 354 N -0.40 1.21 0.79 -1.45 0.00 -1.33 -2.36 103.07 99.52 3a9s h GLY 354 Ca 0.03 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3a9s h GLY 354 CO -0.14 0.55 0.01 -1.82 0.00 0.00 0.00 176.54 175.14 3a9s h TYR 355 N 1.12 0.06 0.00 5.60 5.03 -0.45 -2.23 116.97 126.10 3a9s h TYR 355 Ca 0.27 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 3a9s h TYR 355 Cb 0.09 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 3a9s h TYR 355 CO 0.01 0.26 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.00 3a9s h LEU 356 N -0.16 0.00 0.00 2.82 3.38 -0.71 0.90 115.31 121.54 3a9s h LEU 356 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a9s h LEU 356 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3a9s h LEU 356 CO 0.00 0.05 -0.73 0.18 0.09 0.00 0.00 178.44 178.03 3a9s n LEU 357 N -3.31 0.66 0.00 1.67 4.77 -0.90 -4.57 117.00 115.32 3a9s n LEU 357 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3a9s n LEU 357 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3a9s n LEU 357 CO 0.26 -0.01 -0.23 0.35 -1.33 0.00 0.00 177.39 176.43 3a9s n THR 358 N -2.02 0.00 -1.23 -5.08 -2.24 -0.82 -5.02 114.28 97.88 3a9s n THR 358 Ca 0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 3a9s n THR 358 Cb 0.43 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 3a9s n THR 358 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a9s n ASN 359 N -0.77 -4.46 -4.67 3.42 3.02 0.31 -4.74 115.26 107.37 3a9s n ASN 359 Ca 0.00 0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 3a9s n ASN 359 Cb 0.04 -2.65 -0.08 0.00 -0.61 0.00 0.00 39.78 36.47 3a9s n ASN 359 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3a9s s THR 360 N -2.12 3.90 0.44 3.41 -4.23 -1.26 -4.24 115.64 111.55 3a9s s THR 360 Ca 0.00 -1.07 -0.25 0.00 -1.18 0.00 0.00 61.69 59.19 3a9s s THR 360 Cb 0.00 -2.86 -0.09 0.00 1.34 0.00 0.00 72.50 70.89 3a9s s THR 360 CO 0.00 0.10 1.35 0.00 -0.54 0.00 0.00 174.62 175.53 3a9s n ALA 361 N 0.53 1.68 -2.59 3.99 0.00 -1.26 -4.50 120.51 118.35 3a9s n ALA 361 Ca -0.11 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 3a9s n ALA 361 Cb 0.52 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.53 3a9s n ALA 361 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3a9s s GLN 362 N -2.36 2.62 -0.27 0.00 -1.52 -1.26 -4.70 119.66 112.17 3a9s s GLN 362 Ca 0.62 -0.66 -0.12 0.00 -1.95 0.00 0.00 55.36 53.24 3a9s s GLN 362 Cb -0.47 -2.53 -0.05 0.00 -0.22 0.00 0.00 33.01 29.74 3a9s s GLN 362 CO 0.57 0.62 0.26 0.42 -0.25 0.00 0.00 175.29 176.91 3a9s s ILE 363 N -0.94 5.26 0.04 1.08 -1.09 0.02 -4.59 121.20 120.98 3a9s s ILE 363 Ca 0.16 0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 58.63 3a9s s ILE 363 Cb -0.11 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3a9s s ILE 363 CO 0.06 0.23 0.88 0.12 -1.23 0.00 0.00 174.94 175.00 3a9s s PHE 364 N 1.78 3.71 0.02 3.97 2.19 -1.26 -0.48 117.98 127.92 3a9s s PHE 364 Ca 0.10 1.62 -0.15 0.00 0.33 0.00 0.00 56.93 58.83 3a9s s PHE 364 Cb -0.16 -2.98 0.02 0.00 -1.31 0.00 0.00 43.02 38.59 3a9s s PHE 364 CO 0.10 0.14 0.32 0.00 1.83 0.00 0.00 175.22 177.61 3a9s s ALA 365 N 0.41 -0.76 0.07 11.12 0.00 -0.81 -4.26 121.76 127.54 3a9s s ALA 365 Ca 0.45 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 3a9s s ALA 365 Cb -0.21 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 3a9s s ALA 365 CO 0.26 -0.37 0.49 -0.51 0.00 0.00 0.00 175.76 175.63 3a9s s ASP 366 N -1.82 6.85 -1.03 0.00 -0.00 -1.17 -1.25 116.67 118.25 3a9s s ASP 366 Ca -0.08 1.05 -0.16 0.00 -0.00 0.00 0.00 52.55 53.36 3a9s s ASP 366 Cb -0.02 -2.28 0.17 0.00 -0.00 0.00 0.00 42.92 40.79 3a9s s ASP 366 CO -0.01 0.22 1.20 -0.69 -0.00 0.00 0.00 175.17 175.90 3a9s s VAL 367 N -1.25 5.04 -0.07 -1.27 1.01 0.09 -1.59 120.40 122.35 3a9s s VAL 367 Ca 0.31 -2.21 -0.25 0.00 0.00 0.00 0.00 61.98 59.83 3a9s s VAL 367 Cb -0.16 -4.78 -0.20 0.00 0.00 0.00 0.00 36.38 31.23 3a9s s VAL 367 CO 0.17 -1.47 0.94 -0.09 0.00 0.00 0.00 175.10 174.65 3a9s h ARG 368 N 7.94 -0.06 -2.96 2.72 9.65 -1.60 -3.48 114.38 126.59 3a9s h ARG 368 Ca 0.21 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.96 3a9s h ARG 368 Cb 0.96 0.01 -0.24 0.00 -1.39 0.00 0.00 29.97 29.32 3a9s h ARG 368 CO 1.11 0.57 -0.31 0.99 2.80 0.00 0.00 179.97 185.13 3a9s s THR 369 N -3.23 0.01 -0.26 0.20 2.01 -1.17 -4.99 115.64 108.21 3a9s s THR 369 Ca -0.16 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 3a9s s THR 369 Cb -0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3a9s s THR 369 CO 0.60 -0.07 0.12 -0.47 -0.69 0.00 0.00 174.62 174.12 3a9s s TYR 370 N -0.20 3.14 -0.40 4.92 5.04 -1.26 -0.02 117.35 128.57 3a9s s TYR 370 Ca -0.03 -0.20 -0.10 0.00 -2.44 0.00 0.00 57.07 54.29 3a9s s TYR 370 Cb -0.03 -2.30 0.05 0.00 0.35 0.00 0.00 41.96 40.03 3a9s s TYR 370 CO 0.01 -0.28 0.23 -1.58 -1.34 0.00 0.00 175.55 172.60 3a9s s TRP 371 N 1.68 3.28 0.69 4.97 0.52 0.52 -5.00 118.94 125.60 3a9s s TRP 371 Ca 0.07 -1.20 -0.11 0.00 0.02 0.00 0.00 56.10 54.87 3a9s s TRP 371 Cb -0.15 -2.67 0.01 0.00 -1.15 0.00 0.00 33.47 29.50 3a9s s TRP 371 CO 0.07 -0.74 1.06 -1.54 0.02 0.00 0.00 176.95 175.82 3a9s s SER 372 N 1.82 5.45 0.27 2.95 1.04 -1.26 -1.52 113.70 122.45 3a9s s SER 372 Ca 0.02 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.88 3a9s s SER 372 Cb -0.21 -2.35 0.35 0.00 0.10 0.00 0.00 66.02 63.90 3a9s s SER 372 CO 0.05 -1.38 1.92 -0.65 0.98 0.00 0.00 173.24 174.16 3a9s h PRO 373 N -0.67 1.22 -0.67 4.02 0.11 -1.86 -1.16 132.00 132.98 3a9s h PRO 373 Ca -0.44 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3a9s h PRO 373 Cb 1.22 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3a9s h PRO 373 CO 0.59 0.81 0.32 0.93 -0.21 0.00 0.00 178.00 180.44 3a9s h GLU 374 N 1.26 0.97 -0.22 1.05 3.07 -1.96 -1.42 114.58 117.32 3a9s h GLU 374 Ca 0.38 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 3a9s h GLU 374 Cb -0.05 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3a9s h GLU 374 CO -0.11 0.77 -0.00 0.00 -1.40 0.00 0.00 179.01 178.28 3a9s h ALA 375 N 1.15 0.30 -0.77 3.43 0.00 -1.74 -1.10 119.26 120.53 3a9s h ALA 375 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a9s h ALA 375 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3a9s h ALA 375 CO -0.03 0.03 0.41 0.28 0.00 0.00 0.00 179.25 179.94 3a9s h VAL 376 N 0.16 1.23 -0.66 0.00 2.07 -1.14 -1.74 116.25 116.18 3a9s h VAL 376 Ca 0.06 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3a9s h VAL 376 Cb 0.41 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3a9s h VAL 376 CO 0.01 0.26 0.13 0.50 0.02 0.00 0.00 177.57 178.49 3a9s h LYS 377 N 1.07 1.08 -0.22 1.57 1.63 -1.15 0.46 116.57 121.01 3a9s h LYS 377 Ca 0.27 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3a9s h LYS 377 Cb 0.05 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3a9s h LYS 377 CO -0.04 0.98 0.06 -0.09 -3.45 0.00 0.00 179.45 176.91 3a9s h ARG 378 N 1.00 0.34 0.00 1.90 2.43 -0.86 0.40 114.38 119.59 3a9s h ARG 378 Ca 0.20 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 3a9s h ARG 378 Cb 0.41 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3a9s h ARG 378 CO 0.01 0.45 -0.70 0.28 -1.51 0.00 0.00 179.97 178.50 3a9s h VAL 379 N 0.18 1.23 0.00 0.20 2.07 -1.26 -3.39 116.25 115.28 3a9s h VAL 379 Ca 0.07 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.92 3a9s h VAL 379 Cb 0.25 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3a9s h VAL 379 CO -0.00 0.69 -0.50 0.35 0.02 0.00 0.00 177.57 178.13 3a9s n THR 380 N -3.31 0.00 -1.00 2.57 -2.24 0.14 -5.00 114.28 105.44 3a9s n THR 380 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3a9s n THR 380 Cb 0.80 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3a9s n THR 380 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a9s n GLY 381 N 1.57 0.84 3.84 3.38 0.00 0.14 -5.00 105.19 109.95 3a9s n GLY 381 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3a9s n GLY 381 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a9s s TYR 382 N -3.35 3.57 -0.31 1.61 6.14 -1.26 -4.94 117.35 118.82 3a9s s TYR 382 Ca 0.00 0.55 -0.15 0.00 0.64 0.00 0.00 57.07 58.11 3a9s s TYR 382 Cb 0.00 -2.04 -0.03 0.00 0.42 0.00 0.00 41.96 40.32 3a9s s TYR 382 CO 0.00 0.62 0.35 0.99 0.64 0.00 0.00 175.55 178.15 3a9s s THR 383 N -0.71 5.18 0.32 4.34 2.01 -1.26 -3.24 115.64 122.29 3a9s s THR 383 Ca 0.15 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 3a9s s THR 383 Cb -0.12 -3.74 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 3a9s s THR 383 CO 0.04 0.05 1.34 0.18 -0.69 0.00 0.00 174.62 175.53 3a9s n LEU 384 N 5.33 3.57 -4.57 4.42 4.77 -1.26 -5.00 117.00 124.27 3a9s n LEU 384 Ca -0.09 1.19 -0.26 0.00 -0.03 0.00 0.00 56.01 56.82 3a9s n LEU 384 Cb 0.50 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 3a9s n LEU 384 CO 0.38 -0.42 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.15 3a9s s GLU 385 N -1.55 1.88 4.31 3.23 2.02 -1.26 -4.25 118.70 123.08 3a9s s GLU 385 Ca 0.58 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 53.48 3a9s s GLU 385 Cb -0.57 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.45 3a9s s GLU 385 CO 0.59 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3a9s n GLY 386 N -0.90 2.85 0.29 -1.39 0.00 -1.26 -1.62 105.19 103.14 3a9s n GLY 386 Ca -0.06 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3a9s n GLY 386 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3a9s h ARG 387 N 0.00 0.00 -0.01 1.61 3.08 -2.00 -1.75 114.38 115.32 3a9s h ARG 387 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a9s h ARG 387 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3a9s h ARG 387 CO 0.00 0.03 -0.12 0.00 -1.07 0.00 0.00 179.97 178.81 3a9s n ALA 388 N -2.33 2.80 0.00 0.04 0.00 -0.64 -4.35 120.51 116.03 3a9s n ALA 388 Ca -0.03 -0.35 0.23 0.00 0.00 0.00 0.00 53.44 53.30 3a9s n ALA 388 Cb 0.12 -1.25 0.72 0.00 0.00 0.00 0.00 19.45 19.04 3a9s n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a9s h ALA 389 N 3.85 2.37 -0.60 0.00 0.00 -1.01 -0.66 119.26 123.21 3a9s h ALA 389 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a9s h ALA 389 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3a9s h ALA 389 CO 0.00 -0.83 0.00 0.09 0.00 0.00 0.00 179.25 178.51 3a9s n ASN 390 N -3.85 4.01 0.00 0.00 3.02 -1.26 -4.79 115.26 112.39 3a9s n ASN 390 Ca 0.11 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.45 3a9s n ASN 390 Cb 0.76 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 3a9s n ASN 390 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a9s n GLY 391 N 1.10 3.09 3.14 7.41 0.00 -0.26 -4.46 105.19 115.21 3a9s n GLY 391 Ca 0.22 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 3a9s n GLY 391 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a9s s ILE 392 N -2.96 0.55 -0.11 -0.61 -4.36 -0.58 -4.74 121.20 108.40 3a9s s ILE 392 Ca 0.00 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 3a9s s ILE 392 Cb 0.00 -1.55 -0.00 0.00 1.25 0.00 0.00 42.46 42.15 3a9s s ILE 392 CO 0.00 -0.87 -0.21 -0.63 0.24 0.00 0.00 174.94 173.47 3a9s s ILE 393 N -3.53 2.32 -0.42 8.37 1.01 0.19 -0.35 121.20 128.79 3a9s s ILE 393 Ca 0.09 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 3a9s s ILE 393 Cb 0.05 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3a9s s ILE 393 CO -0.06 0.55 0.80 -2.28 0.00 0.00 0.00 174.94 173.95 3a9s s HIS 394 N 0.38 3.03 -0.27 3.97 5.65 0.98 -1.02 115.29 128.01 3a9s s HIS 394 Ca -0.16 0.32 -0.09 0.00 0.25 0.00 0.00 55.06 55.38 3a9s s HIS 394 Cb -0.17 -3.60 -0.03 0.00 -1.18 0.00 0.00 32.58 27.59 3a9s s HIS 394 CO 0.07 -0.91 0.13 -0.51 -0.65 0.00 0.00 174.74 172.87 3a9s s LEU 395 N 3.27 3.75 -0.30 8.88 1.43 -0.44 -1.65 118.68 133.62 3a9s s LEU 395 Ca 0.31 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3a9s s LEU 395 Cb -0.12 -2.01 0.18 0.00 0.03 0.00 0.00 46.19 44.27 3a9s s LEU 395 CO 0.21 -0.06 0.60 -0.51 0.23 0.00 0.00 176.35 176.82 3a9s s ILE 396 N 1.67 -0.99 0.88 -0.59 2.07 -0.62 -1.34 121.20 122.28 3a9s s ILE 396 Ca 0.06 -0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.19 3a9s s ILE 396 Cb -0.16 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.56 3a9s s ILE 396 CO 0.07 -0.00 1.10 0.21 -1.91 0.00 0.00 174.94 174.40 3a9s s ASN 397 N 2.86 3.66 0.00 4.50 2.47 -1.26 -3.04 114.94 124.14 3a9s s ASN 397 Ca 0.16 1.38 -0.03 0.00 0.42 0.00 0.00 52.86 54.79 3a9s s ASN 397 Cb -0.14 -2.07 -0.12 0.00 -1.45 0.00 0.00 41.25 37.46 3a9s s ASN 397 CO -0.21 -2.51 2.28 -1.54 -3.72 0.00 0.00 177.10 171.41 3a9s n SER 398 N -3.79 3.82 0.00 -4.21 3.41 -1.26 -4.42 113.62 107.17 3a9s n SER 398 Ca 0.07 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 3a9s n SER 398 Cb 0.56 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3a9s n SER 398 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a9s n GLY 399 N 2.27 0.70 3.12 5.00 0.00 -1.26 -4.96 105.19 110.07 3a9s n GLY 399 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3a9s n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9s s ALA 400 N -2.00 1.16 -0.28 4.61 0.00 -1.26 -0.26 121.76 123.72 3a9s s ALA 400 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 3a9s s ALA 400 Cb 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 23.12 23.03 3a9s s ALA 400 CO 0.00 0.26 1.24 0.00 0.00 0.00 0.00 175.76 177.26 3a9s s ALA 401 N -0.55 -2.10 0.33 0.00 0.00 -1.26 -4.62 121.76 113.56 3a9s s ALA 401 Ca 0.04 1.77 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 3a9s s ALA 401 Cb -0.06 -1.58 -0.12 0.00 0.00 0.00 0.00 23.12 21.36 3a9s s ALA 401 CO 0.00 -0.17 1.35 0.00 0.00 0.00 0.00 175.76 176.94 3a9s n ALA 402 N 1.77 1.48 0.31 0.00 0.00 -1.26 -4.63 120.51 118.18 3a9s n ALA 402 Ca -0.11 0.37 0.20 0.00 0.00 0.00 0.00 53.44 53.90 3a9s n ALA 402 Cb 0.57 -2.29 1.03 0.00 0.00 0.00 0.00 19.45 18.76 3a9s n ALA 402 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a9s h LEU 403 N 3.02 0.00 -2.28 0.00 3.38 -1.89 0.32 115.31 117.86 3a9s h LEU 403 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3a9s h LEU 403 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3a9s h LEU 403 CO 0.66 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 179.62 3a9s h ASP 404 N 0.00 0.00 0.14 -0.43 5.19 -1.92 -2.08 116.42 117.33 3a9s h ASP 404 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a9s h ASP 404 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3a9s h ASP 404 CO 0.00 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 3a9s n GLY 405 N -1.34 -0.65 0.24 2.75 0.00 0.10 -2.19 105.19 104.10 3a9s n GLY 405 Ca -0.03 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3a9s n GLY 405 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a9s h THR 406 N 0.00 0.84 -0.00 2.61 1.35 -1.58 -3.37 112.91 112.76 3a9s h THR 406 Ca 0.00 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3a9s h THR 406 Cb 0.07 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3a9s h THR 406 CO 0.00 0.18 -0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3a9s n GLY 407 N -0.73 0.48 0.23 5.82 0.00 -0.93 -1.77 105.19 108.29 3a9s n GLY 407 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3a9s n GLY 407 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a9s h GLU 408 N 0.81 0.00 -6.87 1.61 4.39 -1.81 -3.37 114.58 109.34 3a9s h GLU 408 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3a9s h GLU 408 Cb 0.03 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.75 3a9s h GLU 408 CO 0.00 0.15 0.71 -0.65 -1.16 0.00 0.00 179.01 178.06 3a9s s GLN 409 N -3.47 4.26 0.01 2.33 -0.21 -1.25 -4.85 119.66 116.48 3a9s s GLN 409 Ca 0.03 2.34 0.04 0.00 0.02 0.00 0.00 55.36 57.79 3a9s s GLN 409 Cb 0.08 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 3a9s s GLN 409 CO 0.63 -0.34 -0.14 0.99 -2.12 0.00 0.00 175.29 174.31 3a9s s THR 410 N -0.89 1.08 -0.05 -0.19 2.01 -1.26 -1.49 115.64 114.84 3a9s s THR 410 Ca 0.52 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 3a9s s THR 410 Cb -0.42 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.19 3a9s s THR 410 CO 0.54 0.21 0.09 -0.75 -0.69 0.00 0.00 174.62 174.01 3a9s s LYS 411 N -0.58 -0.05 -1.46 4.92 2.20 -0.49 -4.84 119.74 119.44 3a9s s LYS 411 Ca 0.04 0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.98 3a9s s LYS 411 Cb -0.06 -0.45 0.04 0.00 -1.51 0.00 0.00 37.83 35.86 3a9s s LYS 411 CO 0.00 -0.32 0.91 -0.25 -0.36 0.00 0.00 175.35 175.33 3a9s n ASP 412 N 5.30 -5.54 -0.42 1.43 8.00 -1.26 -1.38 116.55 122.67 3a9s n ASP 412 Ca -0.04 -0.54 -0.06 0.00 0.71 0.00 0.00 54.79 54.87 3a9s n ASP 412 Cb 0.50 -4.43 -0.02 0.00 -0.02 0.00 0.00 41.12 37.15 3a9s n ASP 412 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a9s n GLY 413 N -1.70 0.76 3.35 0.44 0.00 -1.26 -5.01 105.19 101.77 3a9s n GLY 413 Ca -0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 3a9s n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9s s LYS 414 N -2.01 1.48 0.16 1.61 1.02 -0.48 -5.11 119.74 116.41 3a9s s LYS 414 Ca 0.00 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.46 3a9s s LYS 414 Cb 0.00 -1.83 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 3a9s s LYS 414 CO 0.00 0.45 1.18 -1.25 -0.92 0.00 0.00 175.35 174.81 3a9s s PRO 415 N -1.74 4.50 0.38 -1.68 0.04 -1.26 -1.39 135.00 133.85 3a9s s PRO 415 Ca 0.12 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 3a9s s PRO 415 Cb -0.10 -3.27 0.04 0.00 0.04 0.00 0.00 34.50 31.21 3a9s s PRO 415 CO 0.04 -0.09 0.68 0.14 0.04 0.00 0.00 177.00 177.81 3a9s s VAL 416 N 0.14 0.00 -0.12 -0.36 -7.23 -0.56 -4.73 120.40 107.54 3a9s s VAL 416 Ca 0.53 -1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3a9s s VAL 416 Cb -0.31 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.78 3a9s s VAL 416 CO 0.35 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.41 3a9s s ILE 417 N -2.41 1.16 0.25 -0.62 1.01 -1.26 -3.93 121.20 115.40 3a9s s ILE 417 Ca 0.22 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.58 3a9s s ILE 417 Cb -0.03 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3a9s s ILE 417 CO 0.16 0.39 0.11 -0.54 0.00 0.00 0.00 174.94 175.06 3a9s s LYS 418 N 1.64 2.66 0.53 2.79 1.02 -1.26 -4.90 119.74 122.23 3a9s s LYS 418 Ca 0.05 -1.20 -0.21 0.00 0.02 0.00 0.00 55.97 54.62 3a9s s LYS 418 Cb -0.13 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 3a9s s LYS 418 CO -0.09 0.39 1.26 -2.14 -0.92 0.00 0.00 175.35 173.86 3a9s s PRO 419 N -3.74 3.30 0.39 -1.68 0.02 -1.26 -4.63 135.00 127.40 3a9s s PRO 419 Ca 0.32 2.00 0.15 0.00 0.02 0.00 0.00 61.00 63.50 3a9s s PRO 419 Cb -0.07 -2.24 1.01 0.00 0.02 0.00 0.00 34.50 33.22 3a9s s PRO 419 CO 0.23 -0.99 1.83 0.10 -0.33 0.00 0.00 177.00 177.83 3a9s h TYR 420 N 1.53 0.67 0.00 6.54 -0.00 -1.84 -0.55 116.97 123.31 3a9s h TYR 420 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3a9s h TYR 420 Cb 1.28 -0.20 0.00 0.00 -0.00 0.00 0.00 36.73 37.81 3a9s h TYR 420 CO 0.48 0.16 0.00 2.48 -0.00 0.00 0.00 178.16 181.28 3a9s n TYR 421 N -4.57 0.00 0.21 0.10 4.11 -1.26 -1.80 117.16 113.94 3a9s n TYR 421 Ca 0.21 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 58.13 3a9s n TYR 421 Cb 0.70 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 40.05 3a9s n TYR 421 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3a9s n GLU 422 N -0.94 1.13 -2.12 -3.48 1.02 -0.22 -5.04 120.64 110.99 3a9s n GLU 422 Ca 0.09 -0.60 -0.39 0.00 -0.02 0.00 0.00 57.16 56.24 3a9s n GLU 422 Cb 0.04 -1.00 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 3a9s n GLU 422 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a9s s LEU 423 N -0.85 4.24 0.25 -4.62 1.43 -0.75 -5.00 118.68 113.38 3a9s s LEU 423 Ca 0.05 2.59 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 3a9s s LEU 423 Cb 0.04 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 3a9s s LEU 423 CO 0.09 -0.77 0.23 0.42 0.23 0.00 0.00 176.35 176.55 3a9s s THR 424 N -1.28 4.59 0.47 5.49 -4.23 -1.26 -4.99 115.64 114.43 3a9s s THR 424 Ca 0.56 -1.32 0.12 0.00 -1.18 0.00 0.00 61.69 59.87 3a9s s THR 424 Cb -0.37 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.26 3a9s s THR 424 CO 0.47 -0.34 2.09 0.44 -0.54 0.00 0.00 174.62 176.74 3a9s h ASP 425 N 1.43 0.23 -0.37 3.99 3.32 -2.00 -1.60 116.42 121.42 3a9s h ASP 425 Ca -0.49 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 3a9s h ASP 425 Cb 1.24 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3a9s h ASP 425 CO 0.61 0.16 0.15 -0.08 -1.72 0.00 0.00 179.24 178.36 3a9s h GLU 426 N 0.27 0.55 -0.16 3.56 4.57 -1.99 -1.03 114.58 120.35 3a9s h GLU 426 Ca 0.10 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3a9s h GLU 426 Cb 0.06 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3a9s h GLU 426 CO -0.02 0.53 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.85 3a9s h ASP 427 N 0.45 -0.18 -0.19 1.04 3.32 -1.64 -1.00 116.42 118.22 3a9s h ASP 427 Ca 0.12 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3a9s h ASP 427 Cb 0.18 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3a9s h ASP 427 CO -0.01 -0.07 0.11 0.40 -1.72 0.00 0.00 179.24 177.95 3a9s h ILE 428 N -0.02 1.09 -0.49 0.35 2.04 -1.39 -1.93 117.51 117.16 3a9s h ILE 428 Ca 0.08 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3a9s h ILE 428 Cb 0.14 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3a9s h ILE 428 CO -0.18 0.08 0.22 0.50 0.00 0.00 0.00 178.15 178.77 3a9s h LYS 429 N 0.21 0.41 -0.32 2.37 3.11 -0.92 -2.36 116.57 119.08 3a9s h LYS 429 Ca 0.07 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.78 3a9s h LYS 429 Cb 0.04 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 3a9s h LYS 429 CO -0.01 0.27 -0.21 0.87 -2.81 0.00 0.00 179.45 177.56 3a9s h LYS 430 N 0.43 0.61 -0.74 1.90 1.57 -1.04 -1.36 116.57 117.93 3a9s h LYS 430 Ca 0.23 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3a9s h LYS 430 Cb 0.18 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3a9s h LYS 430 CO -0.19 0.78 0.49 0.00 -0.57 0.00 0.00 179.45 179.96 3a9s h LEU 432 N 1.01 0.82 -1.38 0.00 3.38 -1.17 -3.11 115.31 114.86 3a9s h LEU 432 Ca 0.27 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3a9s h LEU 432 Cb -0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3a9s h LEU 432 CO -0.06 1.05 -0.05 -0.33 0.09 0.00 0.00 178.44 179.14 3a9s h GLU 433 N 0.60 0.35 -0.03 1.13 5.08 -0.93 -2.21 114.58 118.58 3a9s h GLU 433 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3a9s h GLU 433 Cb 0.73 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3a9s h GLU 433 CO 0.06 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 3a9s n ALA 434 N -2.49 2.61 -2.42 3.43 0.00 -0.47 -4.83 120.51 116.34 3a9s n ALA 434 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 3a9s n ALA 434 Cb 0.23 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 3a9s n ALA 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3a9s s THR 435 N -1.96 2.59 -0.01 0.00 2.01 -0.83 -4.51 115.64 112.93 3a9s s THR 435 Ca 0.34 -1.14 0.06 0.00 0.31 0.00 0.00 61.69 61.26 3a9s s THR 435 Cb 0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 3a9s s THR 435 CO 0.27 0.42 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.34 3a9s s GLN 436 N -1.15 1.51 -0.30 4.92 -0.21 -0.27 -4.56 119.66 119.60 3a9s s GLN 436 Ca 0.13 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.75 3a9s s GLN 436 Cb -0.10 -1.46 -0.01 0.00 1.00 0.00 0.00 33.01 32.44 3a9s s GLN 436 CO 0.03 0.40 0.13 -0.06 -2.12 0.00 0.00 175.29 173.67 3a9s s PHE 437 N -0.45 3.16 -0.14 0.91 0.40 0.47 -0.64 117.98 121.70 3a9s s PHE 437 Ca 0.07 -0.58 -0.07 0.00 -0.60 0.00 0.00 56.93 55.75 3a9s s PHE 437 Cb -0.07 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 3a9s s PHE 437 CO -0.01 -0.45 0.12 1.03 0.70 0.00 0.00 175.22 176.62 3a9s s ARG 438 N 1.60 3.59 0.17 0.44 1.81 -0.16 -0.66 118.95 125.75 3a9s s ARG 438 Ca 0.05 -0.18 -0.34 0.00 -1.72 0.00 0.00 55.73 53.54 3a9s s ARG 438 Cb -0.17 -3.21 -0.14 0.00 -0.45 0.00 0.00 34.95 30.99 3a9s s ARG 438 CO 0.05 0.65 1.59 -2.30 -0.68 0.00 0.00 175.30 174.61 3a9s n PRO 439 N 2.40 2.22 -1.68 3.54 -0.02 -1.26 -0.43 135.00 139.77 3a9s n PRO 439 Ca -0.19 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 3a9s n PRO 439 Cb 0.54 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.48 3a9s n PRO 439 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a9s n ALA 440 N 3.41 0.88 -2.11 3.55 0.00 0.08 -4.69 120.51 121.64 3a9s n ALA 440 Ca 0.17 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 3a9s n ALA 440 Cb 0.30 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 3a9s n ALA 440 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3a9s s SER 441 N -0.92 6.12 0.40 0.00 0.01 -1.26 -4.84 113.70 113.21 3a9s s SER 441 Ca 0.70 1.28 0.28 0.00 1.31 0.00 0.00 55.95 59.52 3a9s s SER 441 Cb -0.46 -2.53 1.33 0.00 0.21 0.00 0.00 66.02 64.58 3a9s s SER 441 CO 0.51 -1.53 1.85 0.71 0.41 0.00 0.00 173.24 175.20 3a9s h THR 442 N 6.56 0.00 0.00 1.44 1.35 -1.81 0.28 112.91 120.73 3a9s h THR 442 Ca -0.32 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 65.32 3a9s h THR 442 Cb 1.15 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 3a9s h THR 442 CO 1.03 0.00 -0.19 1.05 -0.25 0.00 0.00 175.52 177.17 3a9s h GLU 443 N 0.00 0.00 0.00 4.72 4.11 -1.91 -2.93 114.58 118.57 3a9s h GLU 443 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.04 3a9s h GLU 443 Cb 0.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3a9s h GLU 443 CO 0.00 0.19 -2.34 0.66 0.07 0.00 0.00 179.01 177.59 3a9s n TYR 444 N -3.23 0.00 -3.70 2.06 4.01 -0.82 -4.79 117.16 110.68 3a9s n TYR 444 Ca 0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 3a9s n TYR 444 Cb 0.49 -0.87 -0.08 0.00 -0.31 0.00 0.00 39.34 38.57 3a9s n TYR 444 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3a9s s PHE 445 N -2.45 3.77 0.53 -0.72 0.08 0.92 -4.84 117.98 115.27 3a9s s PHE 445 Ca -0.33 -3.07 0.23 0.00 0.12 0.00 0.00 56.93 53.88 3a9s s PHE 445 Cb 0.11 -3.12 1.38 0.00 -0.57 0.00 0.00 43.02 40.82 3a9s s PHE 445 CO 0.46 -0.71 2.05 0.00 -0.10 0.00 0.00 175.22 176.92 3a9s h ARG 446 N 5.99 0.00 -0.02 0.44 3.08 -1.29 -1.74 114.38 120.85 3a9s h ARG 446 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3a9s h ARG 446 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3a9s h ARG 446 CO 0.81 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 3a9s n GLY 447 N -1.59 -0.53 4.22 0.04 0.00 -0.39 -4.86 105.19 102.08 3a9s n GLY 447 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3a9s n GLY 447 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9s n GLY 448 N 1.05 -1.23 0.00 -0.02 0.00 -0.65 -2.76 105.19 101.58 3a9s n GLY 448 Ca 0.20 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3a9s n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9s n GLY 449 N 0.00 0.38 2.80 -0.02 0.00 -1.26 -0.94 105.19 106.15 3a9s n GLY 449 Ca 0.00 -2.31 -0.21 0.00 0.00 0.00 0.00 46.02 43.50 3a9s n GLY 449 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a9s s TYR 450 N -0.31 0.57 0.30 1.61 2.02 -1.26 -0.74 117.35 119.54 3a9s s TYR 450 Ca 0.00 -0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 3a9s s TYR 450 Cb 0.00 -0.68 -0.06 0.00 -0.40 0.00 0.00 41.96 40.82 3a9s s TYR 450 CO 0.00 -0.25 0.61 -1.54 -1.57 0.00 0.00 175.55 172.80 3a9s s SER 451 N 1.60 6.54 -0.27 2.29 1.04 0.43 -3.50 113.70 121.83 3a9s s SER 451 Ca -0.01 0.91 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 3a9s s SER 451 Cb -0.13 -2.23 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 3a9s s SER 451 CO -0.03 -0.20 0.54 -0.89 0.98 0.00 0.00 173.24 173.64 3a9s s THR 452 N -2.06 5.04 -0.28 2.02 2.01 0.64 -0.98 115.64 122.03 3a9s s THR 452 Ca 0.47 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 3a9s s THR 452 Cb -0.11 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.58 3a9s s THR 452 CO 0.27 0.03 -0.04 -0.62 -0.69 0.00 0.00 174.62 173.57 3a9s s ASP 453 N 1.56 4.64 0.27 3.53 2.15 0.19 -1.11 116.67 127.91 3a9s s ASP 453 Ca 0.22 -1.17 -0.10 0.00 0.43 0.00 0.00 52.55 51.94 3a9s s ASP 453 Cb -0.16 -1.67 -0.00 0.00 -0.30 0.00 0.00 42.92 40.79 3a9s s ASP 453 CO 0.10 -0.21 0.47 0.72 -0.17 0.00 0.00 175.17 176.08 3a9s s PHE 454 N 1.25 0.57 -0.17 -5.34 -0.12 -1.26 -1.11 117.98 111.80 3a9s s PHE 454 Ca -0.04 -0.91 -0.01 0.00 -0.05 0.00 0.00 56.93 55.91 3a9s s PHE 454 Cb -0.19 0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.36 3a9s s PHE 454 CO -0.03 -1.04 -0.01 -1.17 -0.05 0.00 0.00 175.22 172.93 3a9s s LEU 455 N -3.08 1.41 0.20 -1.99 2.96 -1.26 -1.57 118.68 115.35 3a9s s LEU 455 Ca 0.25 -0.72 -0.32 0.00 -0.22 0.00 0.00 54.13 53.12 3a9s s LEU 455 Cb -0.00 -0.74 -0.11 0.00 0.50 0.00 0.00 46.19 45.83 3a9s s LEU 455 CO 0.12 -0.25 1.66 -0.89 -1.32 0.00 0.00 176.35 175.68 3a9s s THR 456 N 1.75 2.22 0.41 3.68 2.01 -0.43 -4.83 115.64 120.44 3a9s s THR 456 Ca -0.00 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 3a9s s THR 456 Cb -0.16 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 3a9s s THR 456 CO -0.07 0.01 1.33 -0.54 -0.69 0.00 0.00 174.62 174.66 3a9s s LYS 457 N 0.99 3.96 0.78 4.92 1.02 -0.73 -4.76 119.74 125.92 3a9s s LYS 457 Ca 0.72 2.22 -0.10 0.00 0.02 0.00 0.00 55.97 58.83 3a9s s LYS 457 Cb -0.48 -2.77 0.08 0.00 -0.52 0.00 0.00 37.83 34.14 3a9s s LYS 457 CO 0.33 -0.52 1.12 0.20 -0.92 0.00 0.00 175.35 175.56 3a9s s GLY 458 N -0.66 1.65 0.00 -3.33 0.00 -1.26 -4.36 107.32 99.36 3a9s s GLY 458 Ca 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3a9s s GLY 458 CO 0.51 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.86 3a9s n GLY 459 N -3.18 0.68 3.70 0.20 0.00 0.47 -4.86 105.19 102.19 3a9s n GLY 459 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3a9s n GLY 459 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3a9s s MET 460 N -0.15 4.23 0.14 1.61 0.00 -1.25 -4.85 119.30 119.02 3a9s s MET 460 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 55.69 55.59 3a9s s MET 460 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 34.83 31.27 3a9s s MET 460 CO 0.00 0.08 1.30 -1.25 0.00 0.00 0.00 175.02 175.15 3a9s s PRO 461 N 0.93 4.39 0.22 4.11 0.04 -1.26 -1.31 135.00 142.12 3a9s s PRO 461 Ca 0.19 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 3a9s s PRO 461 Cb -0.14 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 3a9s s PRO 461 CO 0.07 -0.29 0.20 0.14 0.04 0.00 0.00 177.00 177.16 3a9s s VAL 462 N 0.61 0.00 -0.03 -0.36 -7.23 -0.33 0.76 120.40 113.81 3a9s s VAL 462 Ca 0.59 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3a9s s VAL 462 Cb -0.35 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.17 3a9s s VAL 462 CO 0.33 0.00 0.05 -0.89 -0.31 0.00 0.00 175.10 174.29 3a9s s THR 463 N -4.08 -0.09 0.06 5.32 2.01 -0.24 -0.77 115.64 117.85 3a9s s THR 463 Ca 0.36 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.70 3a9s s THR 463 Cb 0.05 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 3a9s s THR 463 CO 0.12 0.13 0.09 0.27 -0.69 0.00 0.00 174.62 174.55 3a9s s ILE 464 N 1.61 4.67 0.14 1.82 -4.36 -0.44 -1.25 121.20 123.39 3a9s s ILE 464 Ca -0.02 -0.65 -0.14 0.00 -0.26 0.00 0.00 60.65 59.58 3a9s s ILE 464 Cb -0.12 -3.23 0.02 0.00 1.25 0.00 0.00 42.46 40.37 3a9s s ILE 464 CO -0.03 0.17 0.37 -0.94 0.24 0.00 0.00 174.94 174.75 3a9s s SER 465 N -2.28 -0.13 -0.22 4.36 1.04 -0.54 -0.99 113.70 114.95 3a9s s SER 465 Ca 0.29 -0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 3a9s s SER 465 Cb -0.12 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.53 3a9s s SER 465 CO 0.21 -0.88 0.54 -0.60 0.98 0.00 0.00 173.24 173.49 3a9s s ARG 466 N -3.86 0.55 -0.17 4.02 6.06 -0.66 -1.37 118.95 123.52 3a9s s ARG 466 Ca 0.07 0.97 -0.09 0.00 -2.50 0.00 0.00 55.73 54.18 3a9s s ARG 466 Cb 0.02 0.08 -0.05 0.00 0.06 0.00 0.00 34.95 35.06 3a9s s ARG 466 CO -0.08 -0.15 0.14 -1.17 -2.50 0.00 0.00 175.30 171.55 3a9s s LEU 467 N 1.39 4.26 0.15 -0.88 2.96 -1.26 -1.54 118.68 123.77 3a9s s LEU 467 Ca -0.09 0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.20 3a9s s LEU 467 Cb -0.07 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3a9s s LEU 467 CO -0.14 0.24 -0.14 0.20 -1.32 0.00 0.00 176.35 175.19 3a9s s ASN 468 N -0.04 2.16 -0.19 3.68 0.01 -0.34 -4.71 114.94 115.52 3a9s s ASN 468 Ca 0.10 -0.91 0.01 0.00 -0.71 0.00 0.00 52.86 51.35 3a9s s ASN 468 Cb -0.11 -0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.48 3a9s s ASN 468 CO 0.00 -0.18 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.61 3a9s s ILE 469 N -2.60 2.24 -0.13 0.60 1.01 -1.26 -0.71 121.20 120.35 3a9s s ILE 469 Ca 0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3a9s s ILE 469 Cb -0.02 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3a9s s ILE 469 CO 0.04 0.48 -0.13 -0.69 0.00 0.00 0.00 174.94 174.63 3a9s s VAL 470 N 1.30 3.00 0.21 2.92 1.01 -0.23 -4.94 120.40 123.67 3a9s s VAL 470 Ca 0.04 -0.68 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 3a9s s VAL 470 Cb -0.14 -2.26 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 3a9s s VAL 470 CO -0.11 0.52 1.67 1.17 0.00 0.00 0.00 175.10 178.36 3a9s n LYS 471 N 3.58 2.63 -0.46 2.72 3.00 -1.26 0.22 118.16 128.59 3a9s n LYS 471 Ca -0.18 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 3a9s n LYS 471 Cb 0.53 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.79 3a9s n LYS 471 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3a9s n GLY 472 N 3.62 0.89 1.52 3.14 0.00 -1.26 -4.78 105.19 108.32 3a9s n GLY 472 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3a9s n GLY 472 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a9s n LEU 473 N 0.00 0.10 0.00 0.99 7.94 -0.31 -5.16 117.00 120.56 3a9s n LEU 473 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3a9s n LEU 473 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3a9s n LEU 473 CO 0.00 -0.31 0.00 0.61 -1.11 0.00 0.00 177.39 176.58 3a9s n GLY 474 N 1.90 -0.31 3.77 -3.96 0.00 0.13 -4.94 105.19 101.77 3a9s n GLY 474 Ca 0.00 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 3a9s n GLY 474 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a9s s PRO 475 N 0.00 3.88 -0.14 1.61 0.04 -1.26 -1.06 135.00 138.06 3a9s s PRO 475 Ca 0.00 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 3a9s s PRO 475 Cb 0.00 -2.62 0.04 0.00 0.04 0.00 0.00 34.50 31.96 3a9s s PRO 475 CO 0.00 -0.51 0.37 0.54 0.04 0.00 0.00 177.00 177.44 3a9s s VAL 476 N -1.36 -0.01 -0.06 -0.36 0.11 0.12 -4.16 120.40 114.67 3a9s s VAL 476 Ca 0.59 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.70 3a9s s VAL 476 Cb -0.34 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3a9s s VAL 476 CO 0.43 0.01 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.87 3a9s s LEU 477 N 0.51 2.83 0.05 2.54 2.96 -0.22 -1.19 118.68 126.16 3a9s s LEU 477 Ca -0.03 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.80 3a9s s LEU 477 Cb -0.04 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3a9s s LEU 477 CO -0.03 0.33 -0.26 0.00 -1.32 0.00 0.00 176.35 175.07 3a9s s GLN 478 N -0.60 1.73 0.01 1.98 -2.07 -0.59 -1.84 119.66 118.28 3a9s s GLN 478 Ca 0.09 -1.11 0.01 0.00 -1.82 0.00 0.00 55.36 52.53 3a9s s GLN 478 Cb -0.11 -1.93 -0.01 0.00 -1.09 0.00 0.00 33.01 29.87 3a9s s GLN 478 CO 0.01 0.50 -0.05 0.42 -1.32 0.00 0.00 175.29 174.85 3a9s s ILE 479 N -0.83 0.34 -0.25 3.63 1.01 0.11 -1.66 121.20 123.56 3a9s s ILE 479 Ca 0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 3a9s s ILE 479 Cb -0.10 -0.34 0.11 0.00 0.01 0.00 0.00 42.46 42.14 3a9s s ILE 479 CO 0.02 -0.07 0.23 0.00 0.00 0.00 0.00 174.94 175.12 3a9s s ALA 480 N -0.51 -0.17 0.41 9.38 0.00 -0.16 -3.71 121.76 127.00 3a9s s ALA 480 Ca -0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.57 3a9s s ALA 480 Cb -0.04 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.49 3a9s s ALA 480 CO -0.00 -1.46 0.89 -1.21 0.00 0.00 0.00 175.76 173.98 3a9s s GLU 481 N 2.30 4.13 0.00 0.00 2.02 -1.26 -1.32 118.70 124.56 3a9s s GLU 481 Ca 0.08 0.96 0.00 0.00 0.02 0.00 0.00 54.97 56.03 3a9s s GLU 481 Cb -0.15 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.83 3a9s s GLU 481 CO -0.23 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.46 3a9s n GLY 482 N -0.66 1.24 3.14 -1.39 0.00 0.05 -0.69 105.19 106.88 3a9s n GLY 482 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 3a9s n GLY 482 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a9s s TYR 483 N -1.01 0.26 0.40 1.61 1.51 -0.35 -1.19 117.35 118.58 3a9s s TYR 483 Ca 0.00 -0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 55.35 3a9s s TYR 483 Cb 0.00 -0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 41.63 3a9s s TYR 483 CO 0.00 -0.43 0.70 0.95 -1.11 0.00 0.00 175.55 175.66 3a9s s THR 484 N -3.30 4.93 0.13 -0.71 -4.23 -0.43 -1.03 115.64 111.01 3a9s s THR 484 Ca 0.01 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 3a9s s THR 484 Cb 0.03 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 3a9s s THR 484 CO -0.08 -0.61 -0.05 0.68 -0.54 0.00 0.00 174.62 174.02 3a9s s VAL 485 N -2.44 0.82 -0.07 2.29 -7.23 -0.18 -0.40 120.40 113.19 3a9s s VAL 485 Ca 0.47 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3a9s s VAL 485 Cb -0.10 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 3a9s s VAL 485 CO 0.37 -0.72 -0.00 -1.81 -0.31 0.00 0.00 175.10 172.63 3a9s s ASP 486 N -3.12 5.15 0.19 4.85 1.01 -1.26 -4.24 116.67 119.25 3a9s s ASP 486 Ca 0.17 0.10 0.11 0.00 0.71 0.00 0.00 52.55 53.63 3a9s s ASP 486 Cb 0.05 -1.41 -0.04 0.00 1.01 0.00 0.00 42.92 42.52 3a9s s ASP 486 CO -0.01 0.36 -0.19 -0.76 0.21 0.00 0.00 175.17 174.78 3a9s s LEU 487 N -1.02 2.61 0.43 1.23 1.43 -1.26 -5.05 118.68 117.05 3a9s s LEU 487 Ca 0.15 -0.78 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 3a9s s LEU 487 Cb -0.11 -1.32 -0.10 0.00 0.03 0.00 0.00 46.19 44.69 3a9s s LEU 487 CO 0.04 0.11 1.23 -2.65 0.23 0.00 0.00 176.35 175.31 3a9s n PRO 488 N 0.16 1.82 -0.27 1.29 -0.02 -1.26 -4.65 135.00 132.07 3a9s n PRO 488 Ca -0.12 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 3a9s n PRO 488 Cb 0.56 -2.34 0.21 0.00 -0.02 0.00 0.00 33.50 31.92 3a9s n PRO 488 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3a9s h GLU 489 N 1.96 0.36 -0.66 -0.52 4.81 -1.99 0.63 114.58 119.17 3a9s h GLU 489 Ca -0.47 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3a9s h GLU 489 Cb 1.30 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3a9s h GLU 489 CO 0.59 0.24 0.41 1.49 -0.73 0.00 0.00 179.01 181.01 3a9s h GLU 490 N 0.37 0.88 -0.08 1.92 4.22 -2.00 -0.60 114.58 119.30 3a9s h GLU 490 Ca 0.45 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.73 3a9s h GLU 490 Cb 0.76 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3a9s h GLU 490 CO -0.47 0.61 -0.32 0.28 -2.18 0.00 0.00 179.01 176.93 3a9s h VAL 491 N 0.90 1.41 -0.38 0.32 2.07 -1.29 -2.99 116.25 116.30 3a9s h VAL 491 Ca 0.24 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 66.09 3a9s h VAL 491 Cb -0.06 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3a9s h VAL 491 CO -0.05 0.49 0.19 -0.74 0.02 0.00 0.00 177.57 177.48 3a9s h HIS 492 N -0.13 0.35 -0.84 1.57 -0.00 -0.81 -2.45 115.15 112.85 3a9s h HIS 492 Ca -0.02 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.47 3a9s h HIS 492 Cb 0.96 -0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 28.19 3a9s h HIS 492 CO 0.12 0.19 0.48 -0.44 -0.00 0.00 0.00 177.93 178.28 3a9s h ASP 493 N 0.39 0.67 0.01 3.26 3.32 -1.14 0.24 116.42 123.17 3a9s h ASP 493 Ca 0.16 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3a9s h ASP 493 Cb 0.06 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3a9s h ASP 493 CO -0.11 0.37 -0.01 0.58 -1.72 0.00 0.00 179.24 178.35 3a9s h VAL 494 N 0.78 1.20 -0.63 -1.35 2.07 -1.32 -0.08 116.25 116.92 3a9s h VAL 494 Ca 0.41 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3a9s h VAL 494 Cb 0.41 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3a9s h VAL 494 CO -0.26 0.17 0.08 -0.07 0.02 0.00 0.00 177.57 177.50 3a9s h LEU 495 N -0.30 1.00 -0.07 2.57 3.38 -1.12 -3.08 115.31 117.69 3a9s h LEU 495 Ca -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3a9s h LEU 495 Cb 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3a9s h LEU 495 CO 0.00 1.01 -0.00 -0.78 0.09 0.00 0.00 178.44 178.76 3a9s h ASP 496 N 0.97 0.12 -0.19 -0.43 3.58 -0.50 -3.21 116.42 116.75 3a9s h ASP 496 Ca 0.19 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.33 3a9s h ASP 496 Cb 0.45 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3a9s h ASP 496 CO 0.02 0.40 0.13 0.11 -2.88 0.00 0.00 179.24 177.02 3a9s h LYS 497 N -0.17 0.23 -0.30 0.28 1.79 -1.00 -1.76 116.57 115.64 3a9s h LYS 497 Ca 0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3a9s h LYS 497 Cb 0.34 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3a9s h LYS 497 CO 0.00 0.15 0.00 2.89 -1.08 0.00 0.00 179.45 181.42 3a9s n ARG 498 N -4.51 1.81 0.00 3.15 1.85 -1.17 -4.62 116.66 113.17 3a9s n ARG 498 Ca 0.00 -1.24 0.00 0.00 -1.00 0.00 0.00 57.85 55.61 3a9s n ARG 498 Cb 0.09 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 3a9s n ARG 498 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3a9s n THR 499 N 0.49 0.00 -2.78 8.89 -1.04 -0.68 -5.06 114.28 114.10 3a9s n THR 499 Ca 0.14 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.10 3a9s n THR 499 Cb 0.32 -0.21 0.01 0.00 -1.82 0.00 0.00 70.33 68.63 3a9s n THR 499 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3a9s n ASP 500 N -0.25 -3.33 0.13 8.00 8.00 -1.10 -5.03 116.55 122.95 3a9s n ASP 500 Ca 0.00 -2.94 0.09 0.00 0.71 0.00 0.00 54.79 52.65 3a9s n ASP 500 Cb 0.00 1.70 0.46 0.00 -0.02 0.00 0.00 41.12 43.26 3a9s n ASP 500 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3a9s n PRO 501 N 2.83 0.11 -0.01 -0.24 -0.04 -1.18 -1.74 135.00 134.73 3a9s n PRO 501 Ca 0.18 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.38 3a9s n PRO 501 Cb 0.56 -1.86 0.39 0.00 -0.04 0.00 0.00 33.50 32.56 3a9s n PRO 501 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3a9s n THR 502 N -2.10 0.03 -3.89 0.52 -2.24 -1.26 -4.91 114.28 100.43 3a9s n THR 502 Ca -0.01 -0.34 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 3a9s n THR 502 Cb 0.03 0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 3a9s n THR 502 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3a9s s TRP 503 N -1.97 2.93 -0.03 4.78 0.51 -0.71 -3.95 118.94 120.50 3a9s s TRP 503 Ca 0.35 -0.27 -0.30 0.00 -2.12 0.00 0.00 56.10 53.76 3a9s s TRP 503 Cb 0.21 -1.70 -0.03 0.00 -0.81 0.00 0.00 33.47 31.13 3a9s s TRP 503 CO 0.32 0.27 1.10 -1.25 -0.51 0.00 0.00 176.95 176.88 3a9s s PRO 504 N -3.95 4.43 -0.12 4.98 0.04 -0.26 -4.36 135.00 135.76 3a9s s PRO 504 Ca 0.39 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 3a9s s PRO 504 Cb -0.06 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 3a9s s PRO 504 CO 0.26 -0.28 0.01 0.99 0.04 0.00 0.00 177.00 178.02 3a9s s THR 505 N 1.65 4.38 -0.08 1.26 2.01 -0.61 -4.02 115.64 120.22 3a9s s THR 505 Ca 0.54 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 3a9s s THR 505 Cb -0.23 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.42 3a9s s THR 505 CO 0.24 0.55 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.81 3a9s s THR 506 N -0.35 0.55 -0.34 -0.82 2.01 -0.45 -1.31 115.64 114.93 3a9s s THR 506 Ca 0.07 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 3a9s s THR 506 Cb -0.12 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 3a9s s THR 506 CO 0.02 0.29 0.53 0.26 -0.69 0.00 0.00 174.62 175.03 3a9s s TRP 507 N 1.90 3.19 -0.05 4.92 0.52 -1.26 -1.33 118.94 126.83 3a9s s TRP 507 Ca 0.05 0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.46 3a9s s TRP 507 Cb -0.12 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 3a9s s TRP 507 CO -0.06 -0.52 -0.09 0.12 0.02 0.00 0.00 176.95 176.42 3a9s s PHE 508 N 2.43 2.86 -0.15 -1.98 5.36 -0.19 -1.01 117.98 125.31 3a9s s PHE 508 Ca 0.20 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 3a9s s PHE 508 Cb -0.15 -1.67 0.04 0.00 -0.34 0.00 0.00 43.02 40.89 3a9s s PHE 508 CO 0.13 0.30 -0.06 0.08 -1.46 0.00 0.00 175.22 174.21 3a9s s VAL 509 N -0.82 1.08 0.34 3.12 1.01 -0.20 -0.64 120.40 124.30 3a9s s VAL 509 Ca 0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 3a9s s VAL 509 Cb -0.11 -1.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 3a9s s VAL 509 CO 0.02 0.22 0.89 -2.16 0.00 0.00 0.00 175.10 174.06 3a9s s PRO 510 N 1.66 4.35 0.25 2.72 0.04 -1.26 -1.21 135.00 141.55 3a9s s PRO 510 Ca 0.02 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 3a9s s PRO 510 Cb -0.14 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 3a9s s PRO 510 CO -0.08 0.18 1.32 -0.80 0.04 0.00 0.00 177.00 177.67 3a9s s ASN 511 N -1.88 6.83 0.07 6.66 0.01 0.13 -4.93 114.94 121.83 3a9s s ASN 511 Ca 0.53 2.53 0.01 0.00 -0.71 0.00 0.00 52.86 55.22 3a9s s ASN 511 Cb -0.14 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 3a9s s ASN 511 CO 0.19 -0.54 0.17 -0.76 -1.51 0.00 0.00 177.10 174.64 3a9s s LEU 512 N -0.68 4.17 -0.00 0.60 1.43 -1.26 -4.90 118.68 118.03 3a9s s LEU 512 Ca 0.54 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3a9s s LEU 512 Cb -0.38 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 3a9s s LEU 512 CO 0.43 0.17 0.04 0.35 0.23 0.00 0.00 176.35 177.57 3a9s n THR 513 N 0.32 0.00 -0.86 5.49 -2.24 -0.21 -5.00 114.28 111.77 3a9s n THR 513 Ca -0.06 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3a9s n THR 513 Cb 0.51 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3a9s n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a9s n GLY 514 N 1.63 0.90 3.37 3.38 0.00 -0.76 -4.97 105.19 108.75 3a9s n GLY 514 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3a9s n GLY 514 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a9s s GLU 515 N -0.14 1.67 2.14 1.61 2.02 -1.26 -4.69 118.70 120.06 3a9s s GLU 515 Ca 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.02 3a9s s GLU 515 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.02 3a9s s GLU 515 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.23 3a9s n GLY 516 N -0.65 2.64 0.51 -1.39 0.00 -1.26 -0.93 105.19 104.10 3a9s n GLY 516 Ca -0.00 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.03 3a9s n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9s n ALA 517 N 7.97 2.50 -1.73 4.61 0.00 -1.26 -4.01 120.51 128.59 3a9s n ALA 517 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 3a9s n ALA 517 Cb 0.00 -1.07 0.13 0.00 0.00 0.00 0.00 19.45 18.51 3a9s n ALA 517 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3a9s n PHE 518 N 0.25 1.48 0.10 0.00 3.72 -0.11 -2.58 117.46 120.32 3a9s n PHE 518 Ca 0.14 -1.89 -0.04 0.00 -0.05 0.00 0.00 57.45 55.60 3a9s n PHE 518 Cb 0.28 -0.40 0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3a9s n PHE 518 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3a9s h LYS 519 N 1.52 0.04 -3.16 -1.08 1.57 -1.66 -0.35 116.57 113.45 3a9s h LYS 519 Ca 0.22 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3a9s h LYS 519 Cb 1.33 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.58 3a9s h LYS 519 CO 0.46 0.78 0.14 0.16 -0.57 0.00 0.00 179.45 180.42 3a9s s ASP 520 N -6.82 -0.26 0.27 0.86 1.47 -1.26 -4.50 116.67 106.43 3a9s s ASP 520 Ca -0.01 -0.58 -0.04 0.00 1.18 0.00 0.00 52.55 53.10 3a9s s ASP 520 Cb 0.11 0.67 0.35 0.00 -0.34 0.00 0.00 42.92 43.71 3a9s s ASP 520 CO 0.79 -1.23 1.89 0.58 0.68 0.00 0.00 175.17 177.88 3a9s h VAL 521 N 2.07 1.23 -0.40 2.11 2.07 -1.91 -2.68 116.25 118.75 3a9s h VAL 521 Ca -0.23 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3a9s h VAL 521 Cb 1.26 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3a9s h VAL 521 CO 0.29 0.26 0.14 0.22 0.02 0.00 0.00 177.57 178.50 3a9s h TYR 522 N 1.08 0.24 -0.44 1.57 3.20 -1.95 -2.28 116.97 118.39 3a9s h TYR 522 Ca 0.27 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3a9s h TYR 522 Cb 0.05 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3a9s h TYR 522 CO 0.01 0.09 0.29 0.77 -1.64 0.00 0.00 178.16 177.68 3a9s h SER 523 N 0.29 0.38 -0.30 -2.11 0.02 -1.73 0.61 113.55 110.71 3a9s h SER 523 Ca 0.18 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3a9s h SER 523 Cb 0.17 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3a9s h SER 523 CO -0.19 0.26 0.09 0.58 -1.14 0.00 0.00 176.83 176.43 3a9s h VAL 524 N 0.44 1.21 -0.21 2.27 2.07 -1.14 -1.22 116.25 119.68 3a9s h VAL 524 Ca 0.18 -0.68 -0.20 0.00 0.82 0.00 0.00 66.70 66.82 3a9s h VAL 524 Cb 0.17 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3a9s h VAL 524 CO -0.04 0.23 -0.67 -0.03 0.02 0.00 0.00 177.57 177.07 3a9s h MET 525 N 0.32 0.80 0.00 1.57 1.85 -1.28 -2.81 114.93 115.38 3a9s h MET 525 Ca 0.10 -0.59 -0.01 0.00 -0.61 0.00 0.00 59.70 58.59 3a9s h MET 525 Cb 0.26 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.39 3a9s h MET 525 CO -0.00 1.21 -0.05 -0.97 -0.40 0.00 0.00 176.91 176.69 3a9s h ASN 526 N 0.58 0.00 -0.12 1.39 -1.24 -0.80 -1.52 115.58 113.87 3a9s h ASN 526 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 3a9s h ASN 526 Cb 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 3a9s h ASN 526 CO 0.14 0.05 0.00 0.59 -1.29 0.00 0.00 177.43 176.92 3a9s n ASN 527 N -4.04 2.51 -4.73 1.15 3.02 -0.47 -4.91 115.26 107.80 3a9s n ASN 527 Ca -0.03 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3a9s n ASN 527 Cb 0.14 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3a9s n ASN 527 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3a9s s TRP 528 N -1.87 3.39 -2.12 3.10 -0.11 -0.57 -4.93 118.94 115.83 3a9s s TRP 528 Ca 0.33 1.33 0.15 0.00 1.22 0.00 0.00 56.10 59.13 3a9s s TRP 528 Cb 0.20 -3.47 0.54 0.00 -1.50 0.00 0.00 33.47 29.25 3a9s s TRP 528 CO 0.31 -1.41 1.40 0.41 -4.62 0.00 0.00 176.95 173.04 3a9s n GLY 529 N 2.57 0.27 3.73 5.86 0.00 -1.26 -4.93 105.19 111.43 3a9s n GLY 529 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 3a9s n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9s s ALA 530 N -1.71 -0.62 -1.28 4.61 0.00 -1.26 -5.03 121.76 116.46 3a9s s ALA 530 Ca 0.26 -0.70 0.28 0.00 0.00 0.00 0.00 51.96 51.80 3a9s s ALA 530 Cb 0.14 0.90 1.00 0.00 0.00 0.00 0.00 23.12 25.16 3a9s s ALA 530 CO 0.20 -0.95 1.74 0.27 0.00 0.00 0.00 175.76 177.02 3a9s n ASN 531 N -0.77 0.37 -4.50 0.00 6.94 -1.26 -4.85 115.26 111.19 3a9s n ASN 531 Ca -0.04 -0.19 -0.24 0.00 -0.02 0.00 0.00 54.58 54.09 3a9s n ASN 531 Cb 0.60 -0.09 -0.10 0.00 -2.36 0.00 0.00 39.78 37.83 3a9s n ASN 531 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 3a9s s HIS 532 N -2.78 2.28 0.23 -2.53 3.76 -1.26 -0.73 115.29 114.26 3a9s s HIS 532 Ca 0.19 -0.47 -0.17 0.00 -0.15 0.00 0.00 55.06 54.47 3a9s s HIS 532 Cb 0.19 -1.19 0.02 0.00 1.11 0.00 0.00 32.58 32.71 3a9s s HIS 532 CO 0.56 0.59 0.54 0.00 -0.85 0.00 0.00 174.74 175.58 3a9s s SER 534 N -2.93 3.43 -0.14 0.00 0.15 -0.47 -1.92 113.70 111.83 3a9s s SER 534 Ca 0.14 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 3a9s s SER 534 Cb -0.02 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.27 3a9s s SER 534 CO 0.03 0.25 -0.06 -0.63 1.20 0.00 0.00 173.24 174.02 3a9s s ILE 535 N -0.18 3.66 0.04 6.45 1.01 0.37 -1.47 121.20 131.09 3a9s s ILE 535 Ca -0.02 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.25 3a9s s ILE 535 Cb -0.14 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3a9s s ILE 535 CO 0.04 0.52 -0.21 -0.55 0.00 0.00 0.00 174.94 174.73 3a9s s SER 536 N 0.18 2.56 0.47 3.58 0.15 -0.38 -0.80 113.70 119.46 3a9s s SER 536 Ca -0.04 -0.53 -0.22 0.00 0.70 0.00 0.00 55.95 55.86 3a9s s SER 536 Cb -0.14 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 63.88 3a9s s SER 536 CO 0.03 0.17 1.15 -0.47 1.20 0.00 0.00 173.24 175.32 3a9s s TYR 537 N -0.81 2.89 0.00 3.44 6.14 -1.26 -1.08 117.35 126.67 3a9s s TYR 537 Ca 0.08 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.34 3a9s s TYR 537 Cb -0.09 -3.34 0.00 0.00 0.42 0.00 0.00 41.96 38.95 3a9s s TYR 537 CO 0.02 -1.42 0.00 0.41 0.64 0.00 0.00 175.55 175.20 3a9s n GLY 538 N 0.38 -0.47 3.28 8.97 0.00 0.23 -4.77 105.19 112.81 3a9s n GLY 538 Ca 0.08 -1.72 -0.45 0.00 0.00 0.00 0.00 46.02 43.93 3a9s n GLY 538 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a9s s HIS 539 N -2.09 3.56 -0.19 1.61 3.76 -1.26 -2.50 115.29 118.18 3a9s s HIS 539 Ca 0.00 -1.91 0.16 0.00 -0.15 0.00 0.00 55.06 53.16 3a9s s HIS 539 Cb 0.00 -3.69 0.59 0.00 1.11 0.00 0.00 32.58 30.59 3a9s s HIS 539 CO 0.00 -0.98 1.49 0.44 -0.85 0.00 0.00 174.74 174.84 3a9s n ILE 540 N 4.32 2.39 -0.25 0.60 -5.35 -1.26 -4.69 119.36 115.12 3a9s n ILE 540 Ca 0.04 -1.79 -0.02 0.00 -0.27 0.00 0.00 62.75 60.71 3a9s n ILE 540 Cb 0.43 -0.26 0.10 0.00 -1.74 0.00 0.00 39.64 38.17 3a9s n ILE 540 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3a9s h GLY 541 N 2.26 1.04 1.04 3.28 0.00 -1.97 -0.19 103.07 108.54 3a9s h GLY 541 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3a9s h GLY 541 CO 0.28 0.21 0.24 0.00 0.00 0.00 0.00 176.54 177.27 3a9s h ALA 542 N 1.34 0.94 -0.71 3.60 0.00 -1.89 -0.00 119.26 122.54 3a9s h ALA 542 Ca 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3a9s h ALA 542 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3a9s h ALA 542 CO -0.16 0.60 0.20 -0.44 0.00 0.00 0.00 179.25 179.46 3a9s h ASP 543 N 1.05 1.05 -0.34 0.00 3.32 -1.74 -1.84 116.42 117.91 3a9s h ASP 543 Ca 0.23 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3a9s h ASP 543 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3a9s h ASP 543 CO -0.01 0.99 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.30 3a9s h LEU 544 N 1.05 0.78 -0.50 1.55 3.38 -0.64 -1.42 115.31 119.51 3a9s h LEU 544 Ca 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3a9s h LEU 544 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3a9s h LEU 544 CO -0.00 0.93 0.15 0.40 0.09 0.00 0.00 178.44 180.01 3a9s h ILE 545 N 0.71 1.23 -0.37 1.22 2.04 -0.71 0.18 117.51 121.81 3a9s h ILE 545 Ca 0.12 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3a9s h ILE 545 Cb 0.62 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3a9s h ILE 545 CO 0.04 0.28 0.10 0.74 0.00 0.00 0.00 178.15 179.31 3a9s h THR 546 N 0.67 1.22 -0.64 -0.27 2.02 -1.16 -1.66 112.91 113.08 3a9s h THR 546 Ca 0.16 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3a9s h THR 546 Cb 0.28 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3a9s h THR 546 CO -0.00 0.25 0.39 0.25 0.37 0.00 0.00 175.52 176.78 3a9s h LEU 547 N 0.45 0.78 -0.82 2.58 6.46 -1.03 -2.21 115.31 121.52 3a9s h LEU 547 Ca 0.12 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 3a9s h LEU 547 Cb 0.29 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 3a9s h LEU 547 CO -0.00 0.61 0.49 0.00 -0.62 0.00 0.00 178.44 178.92 3a9s h ALA 548 N 1.20 1.05 -0.46 1.25 0.00 -0.42 -2.09 119.26 119.79 3a9s h ALA 548 Ca 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3a9s h ALA 548 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3a9s h ALA 548 CO -0.04 0.52 0.01 0.66 0.00 0.00 0.00 179.25 180.40 3a9s h SER 549 N 1.13 0.72 -0.50 0.00 4.64 -0.91 0.11 113.55 118.73 3a9s h SER 549 Ca 0.29 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 3a9s h SER 549 Cb -0.03 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 3a9s h SER 549 CO -0.05 0.78 0.13 0.40 -0.87 0.00 0.00 176.83 177.22 3a9s h ILE 550 N 0.71 1.23 -0.00 0.95 2.04 -0.89 -2.17 117.51 119.37 3a9s h ILE 550 Ca 0.14 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3a9s h ILE 550 Cb 0.42 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3a9s h ILE 550 CO 0.02 0.31 -0.07 0.18 0.00 0.00 0.00 178.15 178.58 3a9s n LEU 551 N -4.27 0.52 -2.58 1.44 4.77 -0.83 -4.92 117.00 111.13 3a9s n LEU 551 Ca 0.04 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 3a9s n LEU 551 Cb 0.23 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3a9s n LEU 551 CO 0.40 0.09 0.03 0.54 -1.33 0.00 0.00 177.39 177.12 3a9s n ARG 552 N -0.81 -4.38 -3.70 3.23 1.74 -0.16 -4.95 116.66 107.63 3a9s n ARG 552 Ca 0.17 0.74 -0.38 0.00 -0.77 0.00 0.00 57.85 57.61 3a9s n ARG 552 Cb 0.26 -5.27 -0.12 0.00 -1.02 0.00 0.00 32.46 26.31 3a9s n ARG 552 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3a9s s ILE 553 N -3.09 4.38 0.58 0.55 1.01 -0.16 -4.83 121.20 119.64 3a9s s ILE 553 Ca 0.28 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 3a9s s ILE 553 Cb -0.12 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3a9s s ILE 553 CO 0.35 0.09 1.14 -2.16 0.00 0.00 0.00 174.94 174.36 3a9s s PRO 554 N 1.58 3.16 -0.42 2.79 0.04 -1.26 -4.34 135.00 136.54 3a9s s PRO 554 Ca 0.04 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 3a9s s PRO 554 Cb -0.17 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.48 3a9s s PRO 554 CO 0.05 -1.01 0.26 0.08 0.04 0.00 0.00 177.00 176.42 3a9s s VAL 555 N -1.86 4.15 -0.35 -0.36 1.01 -1.26 -1.05 120.40 120.68 3a9s s VAL 555 Ca 0.72 -1.46 0.27 0.00 0.00 0.00 0.00 61.98 61.51 3a9s s VAL 555 Cb -0.24 -3.57 0.33 0.00 0.00 0.00 0.00 36.38 32.90 3a9s s VAL 555 CO 0.31 -0.53 1.76 -0.55 0.00 0.00 0.00 175.10 176.09 3a9s h ASN 556 N 8.38 0.00 -2.84 3.32 -1.07 -1.72 -3.45 115.58 118.20 3a9s h ASN 556 Ca -0.22 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.13 3a9s h ASN 556 Cb 1.08 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.10 3a9s h ASN 556 CO 0.76 0.00 -0.12 -0.32 0.07 0.00 0.00 177.43 177.82 3a9s s MET 557 N -3.33 0.57 -0.05 4.14 0.00 -1.25 -5.05 119.30 114.34 3a9s s MET 557 Ca 0.06 1.14 -0.29 0.00 0.00 0.00 0.00 55.69 56.60 3a9s s MET 557 Cb 0.08 0.24 0.10 0.00 0.00 0.00 0.00 34.83 35.25 3a9s s MET 557 CO 0.59 -0.17 0.84 -3.38 0.00 0.00 0.00 175.02 172.90 3a9s s HIS 558 N 1.89 -0.45 -0.28 4.11 -3.43 -1.25 0.09 115.29 115.98 3a9s s HIS 558 Ca -0.08 0.57 0.08 0.00 -0.80 0.00 0.00 55.06 54.82 3a9s s HIS 558 Cb -0.08 0.48 0.45 0.00 -1.43 0.00 0.00 32.58 32.01 3a9s s HIS 558 CO -0.17 -0.53 1.27 0.27 -2.00 0.00 0.00 174.74 173.58 3a9s n ASN 559 N 0.31 3.71 -4.74 7.38 6.94 -1.24 -5.00 115.26 122.62 3a9s n ASN 559 Ca -0.12 -3.81 -0.40 0.00 -0.02 0.00 0.00 54.58 50.23 3a9s n ASN 559 Cb 0.60 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.50 3a9s n ASN 559 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3a9s s VAL 560 N -4.01 4.87 0.27 3.53 1.01 -1.26 -4.86 120.40 119.95 3a9s s VAL 560 Ca 0.47 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 3a9s s VAL 560 Cb 0.40 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3a9s s VAL 560 CO -0.00 0.34 1.29 -2.65 0.00 0.00 0.00 175.10 174.07 3a9s n PRO 561 N 3.12 1.86 -0.30 2.72 -0.02 -1.26 -4.85 135.00 136.27 3a9s n PRO 561 Ca -0.03 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 3a9s n PRO 561 Cb 0.51 -2.23 0.37 0.00 -0.02 0.00 0.00 33.50 32.12 3a9s n PRO 561 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3a9s h GLU 562 N 3.36 0.68 0.00 -0.52 4.81 -1.98 -0.09 114.58 120.83 3a9s h GLU 562 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3a9s h GLU 562 Cb 1.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3a9s h GLU 562 CO 0.69 0.45 0.00 1.05 -0.73 0.00 0.00 179.01 180.47 3a9s h GLU 563 N 0.70 0.00 -0.00 1.92 9.09 -2.05 -1.93 114.58 122.31 3a9s h GLU 563 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3a9s h GLU 563 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 3a9s h GLU 563 CO -0.24 0.00 -0.50 1.63 0.05 0.00 0.00 179.01 179.94 3a9s n LYS 564 N -2.85 0.47 -2.11 1.06 4.76 -0.05 -4.90 118.16 114.54 3a9s n LYS 564 Ca -0.02 -0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 54.68 3a9s n LYS 564 Cb 0.11 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 3a9s n LYS 564 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a9s s ILE 565 N -2.75 3.51 -0.25 -0.18 1.01 -0.73 -4.86 121.20 116.95 3a9s s ILE 565 Ca 0.16 0.87 -0.01 0.00 0.00 0.00 0.00 60.65 61.67 3a9s s ILE 565 Cb 0.18 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 39.16 3a9s s ILE 565 CO 0.65 -0.02 0.03 0.12 0.00 0.00 0.00 174.94 175.73 3a9s s PHE 566 N 2.77 1.72 0.29 3.97 5.36 -1.26 -5.09 117.98 125.73 3a9s s PHE 566 Ca 0.68 -1.47 0.03 0.00 -0.96 0.00 0.00 56.93 55.21 3a9s s PHE 566 Cb -0.34 -1.47 -0.06 0.00 -0.34 0.00 0.00 43.02 40.81 3a9s s PHE 566 CO 0.28 -0.76 0.05 1.03 -1.46 0.00 0.00 175.22 174.37 3a9s s ARG 567 N 1.62 1.54 0.63 10.12 0.52 -1.26 -4.05 118.95 128.06 3a9s s ARG 567 Ca 0.02 -1.83 -0.18 0.00 -0.52 0.00 0.00 55.73 53.22 3a9s s ARG 567 Cb -0.18 -0.70 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 3a9s s ARG 567 CO -0.13 -0.19 1.10 -2.30 0.02 0.00 0.00 175.30 173.80 3a9s n PRO 568 N -0.58 0.97 -0.17 3.54 -0.02 -1.26 -4.72 135.00 132.75 3a9s n PRO 568 Ca -0.02 0.38 0.16 0.00 -2.02 0.00 0.00 63.50 62.00 3a9s n PRO 568 Cb 0.66 -2.32 0.51 0.00 -0.02 0.00 0.00 33.50 32.33 3a9s n PRO 568 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3a9s h ASP 569 N 0.46 0.38 -0.28 2.55 3.58 -1.50 -1.44 116.42 120.17 3a9s h ASP 569 Ca -0.50 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.06 3a9s h ASP 569 Cb 1.36 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 3a9s h ASP 569 CO 0.52 0.19 0.21 0.00 -2.88 0.00 0.00 179.24 177.27 3a9s h ALA 570 N 1.64 2.24 -0.93 -0.78 0.00 -1.89 -2.37 119.26 117.18 3a9s h ALA 570 Ca 0.38 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.33 3a9s h ALA 570 Cb 0.90 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3a9s h ALA 570 CO -0.12 -0.35 0.61 -1.49 0.00 0.00 0.00 179.25 177.89 3a9s h TRP 571 N 0.00 1.11 0.00 0.00 6.55 -1.60 -0.94 115.95 121.06 3a9s h TRP 571 Ca 0.13 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.98 3a9s h TRP 571 Cb 0.54 -0.37 -0.00 0.00 -0.86 0.00 0.00 29.16 28.47 3a9s h TRP 571 CO 0.00 0.62 -0.10 0.66 -1.05 0.00 0.00 178.44 178.57 3a9s h SER 572 N 1.12 0.00 0.83 -3.49 4.64 -1.60 -0.78 113.55 114.27 3a9s h SER 572 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3a9s h SER 572 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3a9s h SER 572 CO -0.13 0.10 0.00 0.24 -0.87 0.00 0.00 176.83 176.17 3a9s h MET 573 N 0.00 0.00 -0.60 4.77 2.86 -1.27 -2.23 114.93 118.46 3a9s h MET 573 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3a9s h MET 573 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3a9s h MET 573 CO 0.01 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.17 3a9s n PHE 574 N -2.52 0.79 0.00 -0.22 3.01 -0.30 -5.00 117.46 113.21 3a9s n PHE 574 Ca 0.02 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.07 3a9s n PHE 574 Cb 0.26 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 3a9s n PHE 574 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a9s n GLY 575 N 1.56 4.56 0.00 1.37 0.00 -0.84 -4.25 105.19 107.60 3a9s n GLY 575 Ca 0.22 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.49 3a9s n GLY 575 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a9s n THR 576 N -0.87 0.00 -0.04 2.61 -2.24 -1.26 -4.48 114.28 108.00 3a9s n THR 576 Ca 0.00 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 3a9s n THR 576 Cb 0.00 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 3a9s n THR 576 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3a9s h LYS 577 N 0.00 0.11 -3.66 -0.78 1.57 -1.96 -3.42 116.57 108.44 3a9s h LYS 577 Ca 0.00 -0.19 -0.68 0.00 -1.87 0.00 0.00 60.65 57.91 3a9s h LYS 577 Cb 0.27 0.07 -0.36 0.00 0.08 0.00 0.00 32.23 32.29 3a9s h LYS 577 CO 0.00 1.09 -0.44 0.34 -0.57 0.00 0.00 179.45 179.87 3a9s s ASP 578 N -6.71 5.05 0.50 0.86 2.15 -1.26 -4.94 116.67 112.33 3a9s s ASP 578 Ca -0.21 -2.80 0.16 0.00 0.43 0.00 0.00 52.55 50.13 3a9s s ASP 578 Cb 0.02 -1.81 1.20 0.00 -0.30 0.00 0.00 42.92 42.03 3a9s s ASP 578 CO 0.71 -0.36 2.10 -0.07 -0.17 0.00 0.00 175.17 177.38 3a9s h LEU 579 N 7.03 0.00 0.05 -1.34 3.38 -1.83 -1.42 115.31 121.19 3a9s h LEU 579 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3a9s h LEU 579 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3a9s h LEU 579 CO 0.70 0.06 -0.02 -0.08 0.09 0.00 0.00 178.44 179.18 3a9s h GLU 580 N 0.00 -0.07 -0.88 1.13 4.81 -1.94 -0.98 114.58 116.65 3a9s h GLU 580 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3a9s h GLU 580 Cb 0.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3a9s h GLU 580 CO 0.01 0.31 0.56 0.78 -0.73 0.00 0.00 179.01 179.94 3a9s h GLY 581 N -0.46 1.26 1.35 1.92 0.00 -1.88 -1.76 103.07 103.50 3a9s h GLY 581 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 3a9s h GLY 581 CO 0.01 0.48 0.06 0.00 0.00 0.00 0.00 176.54 177.10 3a9s h ALA 582 N 1.41 1.16 -0.31 3.60 0.00 -1.20 -1.52 119.26 122.40 3a9s h ALA 582 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a9s h ALA 582 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3a9s h ALA 582 CO -0.06 0.56 0.17 0.22 0.00 0.00 0.00 179.25 180.13 3a9s h ASP 583 N 0.77 0.38 -0.70 0.00 3.58 -0.33 0.17 116.42 120.30 3a9s h ASP 583 Ca 0.16 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 3a9s h ASP 583 Cb 0.37 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 3a9s h ASP 583 CO 0.01 0.36 0.22 1.88 -2.88 0.00 0.00 179.24 178.83 3a9s h TYR 584 N 0.38 1.12 -0.34 0.28 -1.99 -1.10 -1.11 116.97 114.20 3a9s h TYR 584 Ca 0.11 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 3a9s h TYR 584 Cb 0.06 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.45 3a9s h TYR 584 CO -0.03 0.89 0.00 0.00 -0.00 0.00 0.00 178.16 179.02 3a9s h ARG 585 N 1.02 0.59 -0.41 4.88 3.08 -0.93 -2.38 114.38 120.23 3a9s h ARG 585 Ca 0.22 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3a9s h ARG 585 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3a9s h ARG 585 CO -0.01 0.72 0.10 0.00 -1.07 0.00 0.00 179.97 179.71 3a9s h ALA 586 N 0.86 0.54 -0.72 0.04 0.00 -0.55 -1.39 119.26 118.04 3a9s h ALA 586 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3a9s h ALA 586 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3a9s h ALA 586 CO 0.02 0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.86 3a9s h LYS 588 N 1.01 0.34 0.12 0.00 3.64 -1.29 -3.36 116.57 117.04 3a9s h LYS 588 Ca 0.25 -0.32 -0.29 0.00 -1.27 0.00 0.00 60.65 59.03 3a9s h LYS 588 Cb 0.06 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3a9s h LYS 588 CO -0.04 0.98 -1.23 0.87 -2.27 0.00 0.00 179.45 177.76 3a9s h LYS 589 N -0.18 0.49 -0.00 1.90 6.56 -1.20 -3.52 116.57 120.62 3a9s h LYS 589 Ca -0.04 -0.69 0.00 0.00 -1.06 0.00 0.00 60.65 58.86 3a9s h LYS 589 Cb 1.09 0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 3a9s h LYS 589 CO 0.08 1.30 0.00 1.28 -2.06 0.00 0.00 179.45 180.05