#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjk n THR 2 N 0.00 0.12 -4.32 3.17 -2.24 -1.26 -4.97 114.28 104.77 2bjk n THR 2 Ca 0.00 -0.56 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 2bjk n THR 2 Cb 0.00 1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 2bjk n THR 2 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bjk s VAL 3 N -1.48 0.89 0.72 2.28 -7.23 -1.26 -5.14 120.40 109.17 2bjk s VAL 3 Ca 0.24 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.24 2bjk s VAL 3 Cb 0.16 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.72 2bjk s VAL 3 CO 0.24 -0.25 1.20 -1.61 -0.31 0.00 0.00 175.10 174.37 2bjk s GLU 4 N -3.91 2.21 0.60 4.82 0.41 -1.26 -4.94 118.70 116.63 2bjk s GLU 4 Ca 0.30 1.74 -0.20 0.00 -0.41 0.00 0.00 54.97 56.41 2bjk s GLU 4 Cb 0.06 -1.84 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 2bjk s GLU 4 CO 0.10 -1.77 1.32 -2.14 -0.49 0.00 0.00 175.26 172.28 2bjk s PRO 5 N -3.90 2.83 0.34 0.39 0.02 -1.26 -4.90 135.00 128.52 2bjk s PRO 5 Ca 0.74 2.14 -0.29 0.00 0.02 0.00 0.00 61.00 63.62 2bjk s PRO 5 Cb -0.29 -2.03 -0.12 0.00 0.02 0.00 0.00 34.50 32.08 2bjk s PRO 5 CO 0.45 -1.41 1.48 0.34 -0.33 0.00 0.00 177.00 177.52 2bjk n PHE 6 N -1.50 2.76 -3.90 6.54 7.35 -1.26 -5.02 117.46 122.42 2bjk n PHE 6 Ca 0.13 0.41 -0.11 0.00 -0.76 0.00 0.00 57.45 57.13 2bjk n PHE 6 Cb 0.47 -2.52 -0.12 0.00 0.35 0.00 0.00 39.48 37.65 2bjk n PHE 6 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bjk s ARG 7 N -1.48 0.17 0.39 -4.13 0.52 -1.26 -5.14 118.95 108.01 2bjk s ARG 7 Ca 0.58 -0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 55.31 2bjk s ARG 7 Cb -0.51 0.07 -0.09 0.00 0.52 0.00 0.00 34.95 34.94 2bjk s ARG 7 CO 0.58 -0.03 1.12 -0.80 0.02 0.00 0.00 175.30 176.19 2bjk s ASN 8 N -0.63 6.68 0.05 0.23 -0.87 -1.26 -4.98 114.94 114.17 2bjk s ASN 8 Ca -0.07 2.22 -0.31 0.00 -1.57 0.00 0.00 52.86 53.14 2bjk s ASN 8 Cb -0.04 -2.60 -0.07 0.00 -0.02 0.00 0.00 41.25 38.52 2bjk s ASN 8 CO -0.00 -0.56 1.39 -0.70 -2.57 0.00 0.00 177.10 174.66 2bjk s GLU 9 N -2.29 4.30 0.39 -0.60 2.56 -1.26 -4.96 118.70 116.85 2bjk s GLU 9 Ca 0.56 2.01 -0.27 0.00 0.00 0.00 0.00 54.97 57.27 2bjk s GLU 9 Cb -0.27 -3.43 -0.10 0.00 2.00 0.00 0.00 34.13 32.33 2bjk s GLU 9 CO 0.35 -0.50 1.47 -2.14 -0.56 0.00 0.00 175.26 173.87 2bjk s PRO 10 N 1.79 4.02 -0.24 4.30 0.02 -1.26 -4.89 135.00 138.74 2bjk s PRO 10 Ca 0.64 2.53 -0.19 0.00 0.02 0.00 0.00 61.00 64.00 2bjk s PRO 10 Cb -0.34 -2.90 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 2bjk s PRO 10 CO 0.28 -0.59 0.55 0.42 -0.33 0.00 0.00 177.00 177.34 2bjk s ILE 11 N -1.14 5.06 0.17 2.83 1.01 -1.26 -4.92 121.20 122.94 2bjk s ILE 11 Ca 0.54 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 2bjk s ILE 11 Cb -0.46 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 2bjk s ILE 11 CO 0.61 0.10 1.33 -0.70 0.00 0.00 0.00 174.94 176.28 2bjk s GLU 12 N 2.13 4.37 -0.02 2.79 2.56 -1.26 -4.93 118.70 124.35 2bjk s GLU 12 Ca 0.24 2.05 0.20 0.00 0.00 0.00 0.00 54.97 57.46 2bjk s GLU 12 Cb -0.16 -3.21 -0.27 0.00 2.00 0.00 0.00 34.13 32.49 2bjk s GLU 12 CO 0.09 -0.31 0.63 0.25 -0.56 0.00 0.00 175.26 175.37 2bjk n THR 13 N 3.06 0.00 -3.52 -1.70 -2.24 -1.26 -4.64 114.28 103.98 2bjk n THR 13 Ca 0.08 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 2bjk n THR 13 Cb 0.43 0.48 0.08 0.00 -2.10 0.00 0.00 70.33 69.21 2bjk n THR 13 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2bjk n PHE 14 N -1.87 -2.66 0.33 4.78 3.01 -1.26 -4.92 117.46 114.87 2bjk n PHE 14 Ca -0.00 0.96 0.11 0.00 1.01 0.00 0.00 57.45 59.53 2bjk n PHE 14 Cb 0.43 -4.87 -0.03 0.00 -0.01 0.00 0.00 39.48 35.00 2bjk n PHE 14 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2bjk n GLN 15 N -4.68 0.45 -3.62 -1.08 1.13 -1.26 -4.65 117.38 103.67 2bjk n GLN 15 Ca -0.03 -0.01 -0.27 0.00 -1.94 0.00 0.00 57.00 54.74 2bjk n GLN 15 Cb 0.57 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 29.25 2bjk n GLN 15 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2bjk s THR 16 N -3.31 5.17 0.28 5.09 -4.23 -1.26 -5.00 115.64 112.38 2bjk s THR 16 Ca 0.00 -0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2bjk s THR 16 Cb 0.13 -3.74 0.13 0.00 1.34 0.00 0.00 72.50 70.36 2bjk s THR 16 CO 0.82 -0.22 1.79 -0.08 -0.54 0.00 0.00 174.62 176.39 2bjk h GLU 17 N 1.86 0.72 -0.46 3.99 4.57 -1.99 -2.18 114.58 121.09 2bjk h GLU 17 Ca -0.48 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.51 2bjk h GLU 17 Cb 1.19 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2bjk h GLU 17 CO 0.67 0.73 0.27 0.93 -1.18 0.00 0.00 179.01 180.43 2bjk h GLU 18 N 0.68 0.64 -0.45 1.92 3.07 -1.99 0.57 114.58 119.02 2bjk h GLU 18 Ca 0.14 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2bjk h GLU 18 Cb 0.41 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 2bjk h GLU 18 CO 0.02 0.48 0.10 0.00 -1.40 0.00 0.00 179.01 178.21 2bjk h ALA 19 N 1.12 0.59 -0.48 3.43 0.00 -1.89 -1.71 119.26 120.33 2bjk h ALA 19 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2bjk h ALA 19 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bjk h ALA 19 CO -0.03 0.28 0.15 0.00 0.00 0.00 0.00 179.25 179.66 2bjk h ARG 20 N 0.60 0.74 -0.25 0.00 3.08 -1.15 -1.09 114.38 116.31 2bjk h ARG 20 Ca 0.14 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2bjk h ARG 20 Cb 0.33 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2bjk h ARG 20 CO 0.00 0.70 0.13 -0.09 -1.07 0.00 0.00 179.97 179.64 2bjk h ARG 21 N 0.64 0.26 -0.73 0.04 2.43 -0.77 0.89 114.38 117.14 2bjk h ARG 21 Ca 0.15 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2bjk h ARG 21 Cb 0.26 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2bjk h ARG 21 CO -0.01 0.17 0.37 0.00 -1.51 0.00 0.00 179.97 179.00 2bjk h ALA 22 N 1.12 0.93 -0.37 2.80 0.00 -1.14 -1.79 119.26 120.81 2bjk h ALA 22 Ca 0.10 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2bjk h ALA 22 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2bjk h ALA 22 CO -0.06 0.48 -0.32 1.98 0.00 0.00 0.00 179.25 181.32 2bjk h MET 23 N 1.01 0.88 -0.83 0.00 1.85 -0.88 -1.72 114.93 115.24 2bjk h MET 23 Ca 0.25 -0.44 -0.01 0.00 -0.61 0.00 0.00 59.70 58.89 2bjk h MET 23 Cb 0.08 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 2bjk h MET 23 CO -0.04 1.09 0.50 0.00 -0.40 0.00 0.00 176.91 178.06 2bjk h ARG 24 N 0.68 1.13 -0.55 0.39 3.08 -0.64 0.25 114.38 118.72 2bjk h ARG 24 Ca 0.07 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2bjk h ARG 24 Cb 0.90 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2bjk h ARG 24 CO 0.08 0.80 -0.11 1.49 -1.07 0.00 0.00 179.97 181.16 2bjk h GLU 25 N 1.14 1.03 -0.42 0.04 4.57 -1.21 -1.23 114.58 118.50 2bjk h GLU 25 Ca 0.30 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2bjk h GLU 25 Cb -0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2bjk h GLU 25 CO -0.06 1.07 0.15 0.00 -1.18 0.00 0.00 179.01 179.00 2bjk h ALA 26 N 0.94 0.55 -0.61 2.92 0.00 -0.88 -1.11 119.26 121.08 2bjk h ALA 26 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2bjk h ALA 26 Cb 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2bjk h ALA 26 CO 0.05 0.18 0.27 -0.07 0.00 0.00 0.00 179.25 179.68 2bjk h LEU 27 N 0.54 0.82 -0.53 0.00 3.38 -0.84 -1.32 115.31 117.36 2bjk h LEU 27 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2bjk h LEU 27 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2bjk h LEU 27 CO -0.01 0.75 0.27 0.03 0.09 0.00 0.00 178.44 179.56 2bjk h ARG 28 N 0.84 0.76 -0.60 1.13 3.08 -0.99 -0.60 114.38 118.00 2bjk h ARG 28 Ca 0.21 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2bjk h ARG 28 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2bjk h ARG 28 CO -0.02 0.62 -0.02 0.00 -1.07 0.00 0.00 179.97 179.47 2bjk h ARG 29 N 0.71 1.08 -0.47 0.04 3.08 -0.97 -0.61 114.38 117.23 2bjk h ARG 29 Ca 0.18 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 2bjk h ARG 29 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2bjk h ARG 29 CO -0.02 1.06 0.04 0.28 -1.07 0.00 0.00 179.97 180.25 2bjk h VAL 30 N 0.98 1.26 -0.80 2.04 2.07 -1.06 -2.27 116.25 118.47 2bjk h VAL 30 Ca 0.17 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2bjk h VAL 30 Cb 0.59 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2bjk h VAL 30 CO 0.04 0.35 0.37 -0.09 0.02 0.00 0.00 177.57 178.25 2bjk h ARG 31 N 0.67 1.16 0.00 1.57 9.65 -0.92 -0.88 114.38 125.62 2bjk h ARG 31 Ca 0.14 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2bjk h ARG 31 Cb 0.45 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2bjk h ARG 31 CO 0.02 0.90 0.00 0.39 2.80 0.00 0.00 179.97 184.08 2bjk n GLU 32 N -4.34 0.10 0.00 0.20 1.02 -0.25 -1.91 120.64 115.46 2bjk n GLU 32 Ca 0.07 0.36 0.12 0.00 -0.02 0.00 0.00 57.16 57.70 2bjk n GLU 32 Cb 0.15 -1.70 0.18 0.00 -0.02 0.00 0.00 31.44 30.04 2bjk n GLU 32 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2bjk n GLU 33 N -1.90 1.92 -1.60 3.49 2.13 -0.36 -4.99 120.64 119.34 2bjk n GLU 33 Ca 0.02 -1.50 -0.46 0.00 0.66 0.00 0.00 57.16 55.88 2bjk n GLU 33 Cb 0.19 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.40 2bjk n GLU 33 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2bjk n PHE 34 N 0.77 1.44 0.00 4.31 3.01 -0.80 -2.43 117.46 123.75 2bjk n PHE 34 Ca 0.14 0.65 0.00 0.00 1.01 0.00 0.00 57.45 59.25 2bjk n PHE 34 Cb 0.52 -2.30 0.00 0.00 -0.01 0.00 0.00 39.48 37.69 2bjk n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bjk n GLY 35 N 1.72 0.04 3.74 1.37 0.00 -0.56 -4.96 105.19 106.55 2bjk n GLY 35 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2bjk n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bjk s ARG 36 N -1.00 2.89 -0.14 1.61 3.52 -1.02 -4.60 118.95 120.22 2bjk s ARG 36 Ca 0.00 2.20 -0.03 0.00 -0.13 0.00 0.00 55.73 57.78 2bjk s ARG 36 Cb 0.00 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 2bjk s ARG 36 CO 0.00 -1.37 -0.05 -1.58 -0.81 0.00 0.00 175.30 171.49 2bjk s HIS 37 N -1.32 3.00 -0.17 5.12 5.65 -1.26 -1.57 115.29 124.74 2bjk s HIS 37 Ca 0.76 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.83 2bjk s HIS 37 Cb -0.40 -1.90 0.01 0.00 -1.18 0.00 0.00 32.58 29.11 2bjk s HIS 37 CO 0.46 0.04 -0.17 0.71 -0.65 0.00 0.00 174.74 175.13 2bjk s TYR 38 N 0.10 2.78 0.95 3.88 1.51 0.29 -4.98 117.35 121.88 2bjk s TYR 38 Ca -0.01 -1.31 -0.16 0.00 -1.01 0.00 0.00 57.07 54.57 2bjk s TYR 38 Cb -0.14 -1.92 0.22 0.00 -0.11 0.00 0.00 41.96 40.02 2bjk s TYR 38 CO 0.03 -0.64 1.18 -2.30 -1.11 0.00 0.00 175.55 172.71 2bjk n PRO 39 N 4.37 -1.59 -1.76 -1.71 -0.02 -1.26 -1.12 135.00 131.90 2bjk n PRO 39 Ca -0.20 -1.83 -0.30 0.00 -2.02 0.00 0.00 63.50 59.16 2bjk n PRO 39 Cb 0.51 -1.32 0.08 0.00 -0.02 0.00 0.00 33.50 32.76 2bjk n PRO 39 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bjk s LEU 40 N 0.00 2.59 -0.22 2.45 1.43 0.55 -4.62 118.68 120.84 2bjk s LEU 40 Ca 0.68 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2bjk s LEU 40 Cb -0.03 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.61 2bjk s LEU 40 CO 0.49 -1.82 -0.02 -0.47 0.23 0.00 0.00 176.35 174.76 2bjk s TYR 41 N -3.37 1.92 -0.04 0.29 5.04 -0.84 -0.42 117.35 119.94 2bjk s TYR 41 Ca 0.61 -1.46 0.01 0.00 -2.44 0.00 0.00 57.07 53.79 2bjk s TYR 41 Cb -0.12 -1.40 0.02 0.00 0.35 0.00 0.00 41.96 40.80 2bjk s TYR 41 CO 0.52 -0.72 -0.05 0.42 -1.34 0.00 0.00 175.55 174.37 2bjk s ILE 42 N 1.56 0.55 -1.48 3.14 1.01 -0.35 -0.00 121.20 125.62 2bjk s ILE 42 Ca -0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 2bjk s ILE 42 Cb -0.18 -0.55 0.06 0.00 0.01 0.00 0.00 42.46 41.80 2bjk s ILE 42 CO -0.07 0.22 1.02 0.61 0.00 0.00 0.00 174.94 176.71 2bjk n GLY 43 N 3.86 -0.50 2.34 6.18 0.00 -1.26 -2.14 105.19 113.67 2bjk n GLY 43 Ca -0.24 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2bjk n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjk n GLY 44 N -1.76 0.62 3.01 -0.02 0.00 -1.26 -4.43 105.19 101.36 2bjk n GLY 44 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2bjk n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bjk s GLU 45 N -0.07 0.39 -0.10 1.61 -1.05 -0.91 -4.98 118.70 113.60 2bjk s GLU 45 Ca 0.00 -0.73 -0.29 0.00 -0.15 0.00 0.00 54.97 53.80 2bjk s GLU 45 Cb 0.00 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.73 2bjk s GLU 45 CO 0.00 -0.04 0.98 -1.58 0.95 0.00 0.00 175.26 175.57 2bjk s TRP 46 N -1.83 3.52 -0.13 4.83 0.52 -1.26 -1.21 118.94 123.38 2bjk s TRP 46 Ca -0.11 1.57 0.02 0.00 0.02 0.00 0.00 56.10 57.59 2bjk s TRP 46 Cb -0.07 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 29.10 2bjk s TRP 46 CO -0.02 -0.19 -0.18 0.08 0.02 0.00 0.00 176.95 176.66 2bjk s VAL 47 N 1.88 1.75 0.52 4.03 1.01 0.44 -4.92 120.40 125.11 2bjk s VAL 47 Ca 0.48 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2bjk s VAL 47 Cb -0.18 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2bjk s VAL 47 CO 0.19 0.49 0.76 -0.62 0.00 0.00 0.00 175.10 175.91 2bjk s ASP 48 N 1.08 5.60 0.22 3.32 -1.08 -1.26 -0.33 116.67 124.21 2bjk s ASP 48 Ca -0.03 0.31 0.01 0.00 -0.52 0.00 0.00 52.55 52.31 2bjk s ASP 48 Cb -0.14 -1.38 -0.05 0.00 -1.46 0.00 0.00 42.92 39.88 2bjk s ASP 48 CO -0.05 -0.93 0.08 0.42 0.52 0.00 0.00 175.17 175.22 2bjk s THR 49 N -2.73 0.41 -0.06 1.71 -4.23 -1.26 -4.94 115.64 104.54 2bjk s THR 49 Ca 0.52 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 2bjk s THR 49 Cb -0.10 -2.46 -0.22 0.00 1.34 0.00 0.00 72.50 71.06 2bjk s THR 49 CO 0.40 -0.13 1.11 0.50 -0.54 0.00 0.00 174.62 175.96 2bjk h LYS 50 N 2.54 -0.00 -7.40 3.99 3.64 -2.00 -3.45 116.57 113.89 2bjk h LYS 50 Ca -0.37 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.51 2bjk h LYS 50 Cb 1.24 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.15 2bjk h LYS 50 CO 0.59 0.65 0.37 -1.21 -2.27 0.00 0.00 179.45 177.58 2bjk s GLU 51 N -3.62 2.58 0.17 1.90 2.02 -1.26 -5.02 118.70 115.47 2bjk s GLU 51 Ca -0.17 0.69 -0.06 0.00 0.02 0.00 0.00 54.97 55.46 2bjk s GLU 51 Cb 0.00 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 2bjk s GLU 51 CO 0.68 -1.28 0.21 -0.98 0.02 0.00 0.00 175.26 173.91 2bjk s ARG 52 N -5.17 1.13 -0.10 1.61 1.70 -1.26 -3.06 118.95 113.80 2bjk s ARG 52 Ca 0.59 -1.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.53 2bjk s ARG 52 Cb -0.13 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 2bjk s ARG 52 CO 0.54 -0.39 -0.12 -1.64 -1.08 0.00 0.00 175.30 172.61 2bjk s MET 53 N -4.02 3.06 -0.13 3.89 -1.94 0.88 -4.79 119.30 116.25 2bjk s MET 53 Ca 0.23 -0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 53.52 2bjk s MET 53 Cb 0.05 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 2bjk s MET 53 CO 0.03 0.40 -0.03 0.08 -0.01 0.00 0.00 175.02 175.50 2bjk s VAL 54 N -0.13 4.03 -0.23 -6.03 1.01 -1.26 -1.00 120.40 116.79 2bjk s VAL 54 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2bjk s VAL 54 Cb -0.13 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.53 2bjk s VAL 54 CO 0.03 0.53 -0.09 -0.55 0.00 0.00 0.00 175.10 175.02 2bjk s SER 55 N -0.06 4.08 0.26 3.32 0.15 -0.36 -4.95 113.70 116.14 2bjk s SER 55 Ca 0.02 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.82 2bjk s SER 55 Cb -0.13 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 2bjk s SER 55 CO 0.02 -0.10 0.46 -0.76 1.20 0.00 0.00 173.24 174.06 2bjk s LEU 56 N 1.30 4.15 -0.44 3.45 1.43 -1.26 -0.69 118.68 126.63 2bjk s LEU 56 Ca 0.01 0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 53.25 2bjk s LEU 56 Cb -0.16 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 42.87 2bjk s LEU 56 CO -0.06 -0.15 0.94 0.21 0.23 0.00 0.00 176.35 177.52 2bjk s ASN 57 N -3.56 6.55 0.44 2.29 3.84 -0.51 -4.75 114.94 119.24 2bjk s ASN 57 Ca 0.39 0.26 0.30 0.00 0.21 0.00 0.00 52.86 54.03 2bjk s ASN 57 Cb -0.10 -2.46 1.57 0.00 -0.55 0.00 0.00 41.25 39.71 2bjk s ASN 57 CO 0.31 -1.01 1.92 1.55 -2.79 0.00 0.00 177.10 177.09 2bjk h PRO 58 N 8.93 0.00 0.00 0.43 0.13 -1.78 0.30 132.00 140.01 2bjk h PRO 58 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2bjk h PRO 58 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2bjk h PRO 58 CO 1.02 0.00 -0.39 0.43 -0.23 0.00 0.00 178.00 178.83 2bjk n SER 59 N -2.59 0.62 -2.72 1.44 7.64 -1.26 -1.95 113.62 114.79 2bjk n SER 59 Ca -0.01 0.21 -0.05 0.00 1.01 0.00 0.00 58.87 60.03 2bjk n SER 59 Cb 0.09 -0.12 0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2bjk n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bjk n ALA 60 N -1.73 -2.50 0.00 -0.43 0.00 -0.22 -3.76 120.51 111.87 2bjk n ALA 60 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2bjk n ALA 60 Cb 0.41 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2bjk n ALA 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bjk n PRO 61 N 2.42 0.00 0.06 0.00 -0.04 0.90 -0.86 135.00 137.47 2bjk n PRO 61 Ca 0.13 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2bjk n PRO 61 Cb 0.61 -1.60 0.49 0.00 -0.04 0.00 0.00 33.50 32.97 2bjk n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bjk n SER 62 N -1.32 0.43 -4.72 3.54 3.41 -1.26 -4.64 113.62 109.06 2bjk n SER 62 Ca 0.00 0.55 -0.36 0.00 -0.26 0.00 0.00 58.87 58.79 2bjk n SER 62 Cb 0.10 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.32 2bjk n SER 62 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2bjk s GLU 63 N -3.07 4.23 -0.39 4.33 2.02 -0.04 -5.04 118.70 120.74 2bjk s GLU 63 Ca 0.11 0.05 -0.18 0.00 0.02 0.00 0.00 54.97 54.98 2bjk s GLU 63 Cb 0.15 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.94 2bjk s GLU 63 CO 0.54 0.20 0.48 0.08 0.02 0.00 0.00 175.26 176.58 2bjk s VAL 64 N 0.58 5.03 0.17 2.63 1.01 -1.26 -1.42 120.40 127.14 2bjk s VAL 64 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2bjk s VAL 64 Cb -0.13 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.29 2bjk s VAL 64 CO 0.04 -0.34 1.64 0.58 0.00 0.00 0.00 175.10 177.01 2bjk h VAL 65 N 5.69 1.26 0.00 2.92 2.07 -1.20 -2.78 116.25 124.21 2bjk h VAL 65 Ca -0.27 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2bjk h VAL 65 Cb 1.12 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2bjk h VAL 65 CO 0.79 0.40 0.00 0.61 0.02 0.00 0.00 177.57 179.39 2bjk n GLY 66 N -0.44 -0.48 3.18 2.17 0.00 -1.18 -1.49 105.19 106.95 2bjk n GLY 66 Ca 0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2bjk n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bjk s THR 67 N -2.00 0.77 0.19 2.61 -4.23 -0.61 -1.22 115.64 111.14 2bjk s THR 67 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2bjk s THR 67 Cb 0.00 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 2bjk s THR 67 CO 0.00 -0.82 0.07 0.42 -0.54 0.00 0.00 174.62 173.75 2bjk s THR 68 N -3.41 0.32 1.02 3.99 -4.23 -0.17 -0.55 115.64 112.61 2bjk s THR 68 Ca 0.11 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 2bjk s THR 68 Cb 0.04 -2.31 0.20 0.00 1.34 0.00 0.00 72.50 71.77 2bjk s THR 68 CO -0.03 -0.25 1.09 0.00 -0.54 0.00 0.00 174.62 174.88 2bjk s ALA 69 N -3.91 0.78 -0.14 3.99 0.00 -0.28 -0.08 121.76 122.11 2bjk s ALA 69 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2bjk s ALA 69 Cb 0.07 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2bjk s ALA 69 CO 0.07 -2.97 -0.11 0.21 0.00 0.00 0.00 175.76 172.97 2bjk s LYS 70 N -4.91 1.97 -0.02 0.00 2.20 -1.17 -4.19 119.74 113.62 2bjk s LYS 70 Ca 0.66 -0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 55.51 2bjk s LYS 70 Cb -0.19 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 2bjk s LYS 70 CO 0.58 -0.28 0.85 0.00 -0.36 0.00 0.00 175.35 176.15 2bjk s ALA 71 N 1.56 3.25 0.00 3.13 0.00 -0.03 -4.83 121.76 124.84 2bjk s ALA 71 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2bjk s ALA 71 Cb -0.13 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2bjk s ALA 71 CO -0.10 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2bjk n GLY 72 N 2.91 4.66 0.34 0.00 0.00 -1.26 -4.61 105.19 107.23 2bjk n GLY 72 Ca 0.02 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 43.90 2bjk n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bjk h LYS 73 N 0.00 1.12 -0.66 1.61 1.57 -1.96 -1.18 116.57 117.07 2bjk h LYS 73 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2bjk h LYS 73 Cb 0.00 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2bjk h LYS 73 CO 0.00 0.74 0.40 0.00 -0.57 0.00 0.00 179.45 180.02 2bjk h ALA 74 N 1.37 0.84 -0.25 3.86 0.00 -1.99 -0.12 119.26 122.97 2bjk h ALA 74 Ca 0.36 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2bjk h ALA 74 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2bjk h ALA 74 CO -0.12 0.31 -0.32 0.93 0.00 0.00 0.00 179.25 180.06 2bjk h GLU 75 N 0.89 0.52 -0.57 0.00 3.07 -1.84 -1.46 114.58 115.19 2bjk h GLU 75 Ca 0.24 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 2bjk h GLU 75 Cb -0.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2bjk h GLU 75 CO -0.04 0.78 0.18 0.00 -1.40 0.00 0.00 179.01 178.52 2bjk h ALA 76 N 1.21 0.75 -0.64 3.43 0.00 -0.69 -0.57 119.26 122.76 2bjk h ALA 76 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2bjk h ALA 76 Cb 0.78 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2bjk h ALA 76 CO 0.06 0.42 0.21 0.93 0.00 0.00 0.00 179.25 180.87 2bjk h GLU 77 N 0.81 0.99 -0.71 0.00 4.39 -0.73 -0.38 114.58 118.94 2bjk h GLU 77 Ca 0.18 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2bjk h GLU 77 Cb 0.29 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2bjk h GLU 77 CO -0.01 0.86 0.23 0.00 -1.16 0.00 0.00 179.01 178.94 2bjk h ALA 78 N 1.08 1.06 -0.54 3.43 0.00 -0.97 -1.23 119.26 122.09 2bjk h ALA 78 Ca 0.21 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2bjk h ALA 78 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bjk h ALA 78 CO -0.01 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.77 2bjk h ALA 79 N 1.20 0.78 -0.50 0.00 0.00 -0.75 -1.68 119.26 118.32 2bjk h ALA 79 Ca 0.23 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2bjk h ALA 79 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2bjk h ALA 79 CO -0.01 0.67 0.23 -0.07 0.00 0.00 0.00 179.25 180.07 2bjk h LEU 80 N 0.90 0.66 -0.31 0.00 3.38 -0.69 0.14 115.31 119.39 2bjk h LEU 80 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bjk h LEU 80 Cb 0.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2bjk h LEU 80 CO 0.05 0.61 0.20 -0.08 0.09 0.00 0.00 178.44 179.30 2bjk h GLU 81 N 0.66 0.41 -0.56 1.13 4.57 -1.08 -1.12 114.58 118.59 2bjk h GLU 81 Ca 0.17 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2bjk h GLU 81 Cb 0.13 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2bjk h GLU 81 CO -0.02 0.28 0.10 0.00 -1.18 0.00 0.00 179.01 178.20 2bjk h ALA 82 N 1.10 0.74 -0.56 2.92 0.00 -1.04 -1.71 119.26 120.71 2bjk h ALA 82 Ca 0.11 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2bjk h ALA 82 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bjk h ALA 82 CO -0.02 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.71 2bjk h ALA 83 N 1.00 0.76 -0.12 0.00 0.00 -0.52 -0.69 119.26 119.69 2bjk h ALA 83 Ca 0.17 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2bjk h ALA 83 Cb 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bjk h ALA 83 CO 0.01 0.58 -0.68 -1.49 0.00 0.00 0.00 179.25 177.66 2bjk h TRP 84 N 0.87 0.69 -0.48 0.00 4.06 -1.17 -0.82 115.95 119.10 2bjk h TRP 84 Ca 0.16 -0.28 -0.04 0.00 2.06 0.00 0.00 58.89 60.78 2bjk h TRP 84 Cb 0.53 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 2bjk h TRP 84 CO 0.04 1.05 0.14 -0.22 -3.56 0.00 0.00 178.44 175.88 2bjk h LYS 85 N 0.37 0.76 -0.69 0.49 3.64 -1.19 -2.84 116.57 117.11 2bjk h LYS 85 Ca -0.02 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2bjk h LYS 85 Cb 1.26 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2bjk h LYS 85 CO 0.12 0.73 0.13 0.00 -2.27 0.00 0.00 179.45 178.17 2bjk h ALA 86 N 1.00 0.92 -0.99 5.00 0.00 -1.04 -2.94 119.26 121.20 2bjk h ALA 86 Ca 0.15 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2bjk h ALA 86 Cb 0.29 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 2bjk h ALA 86 CO -0.00 0.67 0.62 0.35 0.00 0.00 0.00 179.25 180.89 2bjk h PHE 87 N 1.06 1.10 -1.01 0.00 3.57 -0.91 0.30 116.94 121.05 2bjk h PHE 87 Ca 0.21 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.98 2bjk h PHE 87 Cb 0.42 -0.35 -0.12 0.00 2.79 0.00 0.00 35.95 38.70 2bjk h PHE 87 CO 0.03 0.40 0.61 0.87 -2.23 0.00 0.00 178.31 177.99 2bjk h LYS 88 N 0.92 0.57 0.00 1.11 1.57 -1.34 -1.62 116.57 117.78 2bjk h LYS 88 Ca 0.51 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.93 2bjk h LYS 88 Cb 0.59 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 2bjk h LYS 88 CO -0.28 0.37 -2.21 0.25 -0.57 0.00 0.00 179.45 177.01 2bjk n THR 89 N -4.82 1.21 -0.11 -0.16 -2.24 -0.82 -4.50 114.28 102.84 2bjk n THR 89 Ca 0.26 -0.62 0.02 0.00 -2.27 0.00 0.00 64.05 61.44 2bjk n THR 89 Cb 0.74 -0.87 0.33 0.00 -2.10 0.00 0.00 70.33 68.43 2bjk n THR 89 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2bjk h TRP 90 N 0.00 0.73 0.00 4.78 2.91 -0.80 -0.70 115.95 122.87 2bjk h TRP 90 Ca -0.48 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.55 2bjk h TRP 90 Cb 1.93 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 30.33 2bjk h TRP 90 CO 0.01 0.46 -0.05 1.57 -1.03 0.00 0.00 178.44 179.40 2bjk h LYS 91 N 0.79 0.00 -0.02 2.65 2.10 -1.42 -2.46 116.57 118.22 2bjk h LYS 91 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2bjk h LYS 91 Cb -0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 2bjk h LYS 91 CO -0.05 0.05 -0.07 -0.25 -2.00 0.00 0.00 179.45 177.14 2bjk n ASP 92 N -3.40 1.96 -4.77 7.07 8.00 -0.28 -4.92 116.55 120.21 2bjk n ASP 92 Ca -0.02 -1.58 -0.39 0.00 0.71 0.00 0.00 54.79 53.51 2bjk n ASP 92 Cb 0.19 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 2bjk n ASP 92 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2bjk s TRP 93 N -2.10 2.84 0.52 1.24 0.52 -0.93 -4.95 118.94 116.08 2bjk s TRP 93 Ca 0.31 1.43 -0.22 0.00 0.02 0.00 0.00 56.10 57.65 2bjk s TRP 93 Cb 0.20 -3.63 -0.06 0.00 -1.15 0.00 0.00 33.47 28.84 2bjk s TRP 93 CO 0.37 -2.00 1.27 -2.14 0.02 0.00 0.00 176.95 174.47 2bjk s PRO 94 N -2.28 3.35 0.36 4.98 0.02 -1.26 -4.85 135.00 135.32 2bjk s PRO 94 Ca 0.57 2.01 0.04 0.00 0.02 0.00 0.00 61.00 63.65 2bjk s PRO 94 Cb -0.37 -2.27 0.70 0.00 0.02 0.00 0.00 34.50 32.58 2bjk s PRO 94 CO 0.47 -0.96 1.99 0.37 -0.33 0.00 0.00 177.00 178.54 2bjk h GLN 95 N 1.61 0.77 -0.63 5.54 5.75 -1.94 -1.26 115.11 124.94 2bjk h GLN 95 Ca -0.50 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 57.98 2bjk h GLN 95 Cb 1.28 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 2bjk h GLN 95 CO 0.58 0.51 0.42 0.93 -2.65 0.00 0.00 178.83 178.62 2bjk h GLU 96 N 0.79 0.73 -0.22 1.69 3.07 -1.98 0.52 114.58 119.19 2bjk h GLU 96 Ca 0.27 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.95 2bjk h GLU 96 Cb 0.09 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2bjk h GLU 96 CO -0.08 0.48 -0.39 -0.44 -1.40 0.00 0.00 179.01 177.19 2bjk h ASP 97 N 0.75 0.71 -0.58 1.42 5.19 -1.60 -1.77 116.42 120.54 2bjk h ASP 97 Ca 0.25 -0.54 -0.08 0.00 -0.62 0.00 0.00 57.03 56.05 2bjk h ASP 97 Cb 0.08 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 2bjk h ASP 97 CO -0.07 1.11 0.06 0.03 -3.12 0.00 0.00 179.24 177.26 2bjk h ARG 98 N 0.34 0.98 -0.62 3.56 3.08 -0.96 -2.29 114.38 118.46 2bjk h ARG 98 Ca 0.01 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.70 2bjk h ARG 98 Cb 0.98 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2bjk h ARG 98 CO 0.09 0.95 0.08 0.77 -1.07 0.00 0.00 179.97 180.78 2bjk h SER 99 N 0.88 1.00 -0.20 7.04 0.02 -0.90 -2.18 113.55 119.21 2bjk h SER 99 Ca 0.17 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2bjk h SER 99 Cb 0.46 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2bjk h SER 99 CO 0.02 1.01 -0.00 0.03 -1.14 0.00 0.00 176.83 176.74 2bjk h ARG 100 N 0.97 0.48 -0.55 3.45 3.08 -1.16 -0.96 114.38 119.68 2bjk h ARG 100 Ca 0.19 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2bjk h ARG 100 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2bjk h ARG 100 CO 0.02 0.51 0.16 1.25 -1.07 0.00 0.00 179.97 180.83 2bjk h LEU 101 N 0.46 0.81 -0.51 3.04 6.46 -0.86 -1.09 115.31 123.64 2bjk h LEU 101 Ca 0.10 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2bjk h LEU 101 Cb 0.31 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 2bjk h LEU 101 CO 0.01 0.82 0.23 -0.07 -0.62 0.00 0.00 178.44 178.80 2bjk h LEU 102 N 0.77 0.67 -1.41 2.25 4.07 -0.81 -1.72 115.31 119.14 2bjk h LEU 102 Ca 0.18 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2bjk h LEU 102 Cb 0.30 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 2bjk h LEU 102 CO -0.00 0.63 0.38 -0.07 -1.08 0.00 0.00 178.44 178.30 2bjk h LEU 103 N 0.67 0.68 -0.33 1.67 3.38 -0.82 0.02 115.31 120.57 2bjk h LEU 103 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2bjk h LEU 103 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2bjk h LEU 103 CO -0.02 0.50 0.08 0.50 0.09 0.00 0.00 178.44 179.58 2bjk h LYS 104 N 0.79 0.54 -0.96 1.13 1.63 -0.76 -1.74 116.57 117.20 2bjk h LYS 104 Ca 0.21 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2bjk h LYS 104 Cb -0.08 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.43 2bjk h LYS 104 CO -0.04 0.60 0.64 0.00 -3.45 0.00 0.00 179.45 177.19 2bjk h ALA 105 N 0.91 1.33 -0.72 5.00 0.00 -0.38 -1.09 119.26 124.31 2bjk h ALA 105 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2bjk h ALA 105 Cb 0.31 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bjk h ALA 105 CO 0.00 0.61 0.19 0.00 0.00 0.00 0.00 179.25 180.06 2bjk h ALA 106 N 1.41 0.95 -0.68 0.00 0.00 -0.74 0.19 119.26 120.39 2bjk h ALA 106 Ca 0.36 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2bjk h ALA 106 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2bjk h ALA 106 CO -0.08 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.02 2bjk h ALA 107 N 1.10 0.89 -0.52 0.00 0.00 -0.66 0.06 119.26 120.12 2bjk h ALA 107 Ca 0.23 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2bjk h ALA 107 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2bjk h ALA 107 CO -0.00 0.59 -0.14 -0.07 0.00 0.00 0.00 179.25 179.63 2bjk h LEU 108 N 1.01 1.02 -0.59 0.00 3.38 -0.90 -2.24 115.31 116.99 2bjk h LEU 108 Ca 0.22 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2bjk h LEU 108 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2bjk h LEU 108 CO -0.00 1.15 -0.01 -0.03 0.09 0.00 0.00 178.44 179.63 2bjk h MET 109 N 0.89 1.05 -0.80 1.13 4.05 -0.69 -2.71 114.93 117.85 2bjk h MET 109 Ca 0.13 -0.34 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2bjk h MET 109 Cb 0.71 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 2bjk h MET 109 CO 0.05 1.04 0.47 -0.09 0.23 0.00 0.00 176.91 178.62 2bjk h ARG 110 N 0.95 1.10 0.00 0.39 2.43 -0.83 -1.34 114.38 117.07 2bjk h ARG 110 Ca 0.17 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2bjk h ARG 110 Cb 0.57 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2bjk h ARG 110 CO 0.03 0.78 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 2bjk h ARG 111 N 1.11 0.00 -0.21 0.20 3.08 -1.14 -2.82 114.38 114.59 2bjk h ARG 111 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2bjk h ARG 111 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2bjk h ARG 111 CO -0.05 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.39 2bjk n ARG 112 N -2.45 2.63 -0.25 0.04 1.74 -0.63 -4.79 116.66 112.96 2bjk n ARG 112 Ca 0.02 -2.57 -0.03 0.00 -0.77 0.00 0.00 57.85 54.51 2bjk n ARG 112 Cb 0.29 -1.63 0.09 0.00 -1.02 0.00 0.00 32.46 30.19 2bjk n ARG 112 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2bjk h LYS 113 N 1.42 0.79 -0.86 5.56 2.10 -1.02 -1.71 116.57 122.84 2bjk h LYS 113 Ca 0.00 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2bjk h LYS 113 Cb 1.18 -0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 32.29 2bjk h LYS 113 CO 0.13 0.52 0.45 0.00 -2.00 0.00 0.00 179.45 178.55 2bjk h ARG 114 N 0.81 1.21 -0.41 0.07 2.47 -1.86 0.47 114.38 117.14 2bjk h ARG 114 Ca 0.29 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 2bjk h ARG 114 Cb 0.08 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 2bjk h ARG 114 CO -0.13 0.90 0.15 1.49 0.56 0.00 0.00 179.97 182.94 2bjk h GLU 115 N 1.21 0.62 -0.66 0.04 4.81 -1.80 -0.37 114.58 118.42 2bjk h GLU 115 Ca 0.30 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2bjk h GLU 115 Cb 0.06 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2bjk h GLU 115 CO -0.05 0.59 0.15 -0.07 -0.73 0.00 0.00 179.01 178.90 2bjk h LEU 116 N 0.51 1.02 -0.29 1.64 3.38 -0.91 -0.92 115.31 119.75 2bjk h LEU 116 Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2bjk h LEU 116 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2bjk h LEU 116 CO -0.01 1.00 0.16 -0.33 0.09 0.00 0.00 178.44 179.34 2bjk h GLU 117 N 1.00 0.40 -0.62 1.13 5.08 -0.71 -1.68 114.58 119.17 2bjk h GLU 117 Ca 0.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2bjk h GLU 117 Cb 0.38 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2bjk h GLU 117 CO 0.00 0.35 0.38 0.00 -1.00 0.00 0.00 179.01 178.75 2bjk h ALA 118 N 1.03 1.50 -0.47 3.43 0.00 -0.81 -1.14 119.26 122.80 2bjk h ALA 118 Ca 0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2bjk h ALA 118 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2bjk h ALA 118 CO -0.02 0.44 -0.10 1.15 0.00 0.00 0.00 179.25 180.72 2bjk h THR 119 N 0.86 1.26 -0.64 0.00 2.02 -0.71 -2.39 112.91 113.30 2bjk h THR 119 Ca 0.23 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 2bjk h THR 119 Cb -0.05 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2bjk h THR 119 CO -0.04 0.41 0.06 -0.07 0.37 0.00 0.00 175.52 176.25 2bjk h LEU 120 N 0.77 1.06 -0.16 2.58 3.38 -0.44 0.17 115.31 122.66 2bjk h LEU 120 Ca 0.13 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2bjk h LEU 120 Cb 0.61 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2bjk h LEU 120 CO 0.04 1.07 -0.08 0.58 0.09 0.00 0.00 178.44 180.15 2bjk h VAL 121 N 1.00 0.75 0.05 1.22 2.07 -0.92 -1.40 116.25 119.02 2bjk h VAL 121 Ca 0.19 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.45 2bjk h VAL 121 Cb 0.49 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2bjk h VAL 121 CO 0.02 0.00 -1.08 1.88 0.02 0.00 0.00 177.57 178.41 2bjk h TYR 122 N -0.06 0.73 0.19 1.57 -1.99 -1.31 -2.39 116.97 113.72 2bjk h TYR 122 Ca 0.09 -0.43 -0.32 0.00 2.00 0.00 0.00 58.73 60.06 2bjk h TYR 122 Cb 0.19 -0.07 0.02 0.00 2.00 0.00 0.00 36.73 38.87 2bjk h TYR 122 CO -0.22 1.28 -1.47 1.49 -0.00 0.00 0.00 178.16 179.24 2bjk h GLU 123 N 0.23 0.41 0.00 4.88 4.81 -0.63 -3.36 114.58 120.92 2bjk h GLU 123 Ca -0.12 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 2bjk h GLU 123 Cb 1.74 0.26 0.00 0.00 0.63 0.00 0.00 28.75 31.38 2bjk h GLU 123 CO 0.19 1.32 0.00 1.33 -0.73 0.00 0.00 179.01 181.13 2bjk n VAL 124 N -3.61 0.92 -2.41 0.32 0.24 -0.55 -4.47 118.33 108.76 2bjk n VAL 124 Ca -0.16 -0.93 -0.11 0.00 -2.04 0.00 0.00 64.34 61.10 2bjk n VAL 124 Cb 1.07 0.54 0.01 0.00 -1.47 0.00 0.00 33.84 33.99 2bjk n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bjk n GLY 125 N -0.46 -0.03 3.81 7.63 0.00 -0.90 -4.66 105.19 110.59 2bjk n GLY 125 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2bjk n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjk s LYS 126 N -4.82 4.25 1.12 1.61 1.02 -1.22 -4.26 119.74 117.44 2bjk s LYS 126 Ca 0.07 0.84 -0.19 0.00 0.02 0.00 0.00 55.97 56.72 2bjk s LYS 126 Cb -0.03 -2.96 0.27 0.00 -0.52 0.00 0.00 37.83 34.58 2bjk s LYS 126 CO 0.09 0.45 1.23 0.54 -0.92 0.00 0.00 175.35 176.74 2bjk s ASN 127 N -1.55 1.69 0.15 2.83 2.20 -1.26 -4.18 114.94 114.82 2bjk s ASN 127 Ca 0.40 0.34 -0.17 0.00 -0.94 0.00 0.00 52.86 52.49 2bjk s ASN 127 Cb -0.17 -0.39 0.03 0.00 -2.00 0.00 0.00 41.25 38.72 2bjk s ASN 127 CO 0.21 -3.62 1.77 -0.50 -2.94 0.00 0.00 177.10 172.02 2bjk h TRP 128 N -2.25 0.28 -0.27 1.54 4.06 -1.89 -1.68 115.95 115.74 2bjk h TRP 128 Ca -0.43 0.01 -0.16 0.00 2.06 0.00 0.00 58.89 60.37 2bjk h TRP 128 Cb 1.25 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 2bjk h TRP 128 CO -2.07 0.14 -0.47 0.28 -3.56 0.00 0.00 178.44 172.76 2bjk h VAL 129 N 0.32 1.29 -0.78 1.49 2.07 -1.92 -1.43 116.25 117.28 2bjk h VAL 129 Ca 0.14 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 2bjk h VAL 129 Cb 0.07 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2bjk h VAL 129 CO -0.11 0.54 0.36 -0.33 0.02 0.00 0.00 177.57 178.04 2bjk h GLU 130 N 0.58 1.13 -0.47 1.57 4.39 -1.90 -0.50 114.58 119.39 2bjk h GLU 130 Ca 0.03 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2bjk h GLU 130 Cb 1.03 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2bjk h GLU 130 CO 0.10 0.89 0.14 0.00 -1.16 0.00 0.00 179.01 178.98 2bjk h ALA 131 N 1.19 0.61 -0.79 3.43 0.00 -1.13 -2.20 119.26 120.36 2bjk h ALA 131 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2bjk h ALA 131 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2bjk h ALA 131 CO -0.03 0.27 0.38 1.03 0.00 0.00 0.00 179.25 180.90 2bjk h SER 132 N 0.62 1.03 -0.60 0.00 0.87 -0.86 -2.26 113.55 112.34 2bjk h SER 132 Ca 0.15 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2bjk h SER 132 Cb 0.28 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2bjk h SER 132 CO -0.00 0.87 0.21 0.00 -0.53 0.00 0.00 176.83 177.38 2bjk h ALA 133 N 1.20 1.17 0.43 6.23 0.00 -0.92 -0.60 119.26 126.78 2bjk h ALA 133 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2bjk h ALA 133 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2bjk h ALA 133 CO -0.03 0.58 -0.21 0.22 0.00 0.00 0.00 179.25 179.81 2bjk h ASP 134 N 0.93 -0.49 -0.53 0.00 1.82 -1.01 -1.18 116.42 115.96 2bjk h ASP 134 Ca 0.21 -0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.75 2bjk h ASP 134 Cb 0.25 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 2bjk h ASP 134 CO -0.01 -0.26 0.15 0.58 -1.61 0.00 0.00 179.24 178.10 2bjk h VAL 135 N -0.69 1.23 -0.87 2.25 2.07 -1.33 -2.01 116.25 116.90 2bjk h VAL 135 Ca -0.06 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2bjk h VAL 135 Cb 0.50 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2bjk h VAL 135 CO 0.10 0.31 0.45 0.00 0.02 0.00 0.00 177.57 178.45 2bjk h ALA 136 N 1.31 1.16 -0.47 1.67 0.00 -0.98 -1.63 119.26 120.32 2bjk h ALA 136 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2bjk h ALA 136 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2bjk h ALA 136 CO -0.00 0.66 -0.07 1.49 0.00 0.00 0.00 179.25 181.32 2bjk h GLU 137 N 1.22 0.84 -0.38 0.00 4.81 -0.72 -0.91 114.58 119.45 2bjk h GLU 137 Ca 0.30 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2bjk h GLU 137 Cb 0.06 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2bjk h GLU 137 CO -0.04 0.89 0.21 0.00 -0.73 0.00 0.00 179.01 179.33 2bjk h ALA 138 N 1.15 0.48 -0.66 2.92 0.00 -0.78 -0.12 119.26 122.26 2bjk h ALA 138 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bjk h ALA 138 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2bjk h ALA 138 CO 0.03 0.01 0.39 0.82 0.00 0.00 0.00 179.25 180.50 2bjk h ILE 139 N 0.48 1.20 -0.62 0.00 2.04 -1.11 -2.49 117.51 117.00 2bjk h ILE 139 Ca 0.13 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.56 2bjk h ILE 139 Cb 0.06 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 2bjk h ILE 139 CO -0.02 0.21 0.37 0.44 0.00 0.00 0.00 178.15 179.15 2bjk h ASP 140 N 0.90 0.60 -0.56 1.72 3.32 -0.59 -1.07 116.42 120.74 2bjk h ASP 140 Ca 0.24 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.32 2bjk h ASP 140 Cb -0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2bjk h ASP 140 CO -0.04 0.41 0.34 -0.26 -1.72 0.00 0.00 179.24 177.97 2bjk h PHE 141 N 0.73 0.63 -0.15 4.55 0.05 -0.62 0.21 116.94 122.34 2bjk h PHE 141 Ca 0.26 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.06 2bjk h PHE 141 Cb 0.06 -0.21 -0.01 0.00 2.00 0.00 0.00 35.95 37.80 2bjk h PHE 141 CO -0.06 0.36 0.06 0.82 -0.18 0.00 0.00 178.31 179.31 2bjk h ILE 142 N 0.67 1.17 -0.61 -0.55 2.04 -1.03 0.42 117.51 119.61 2bjk h ILE 142 Ca 0.22 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 2bjk h ILE 142 Cb 0.02 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2bjk h ILE 142 CO -0.10 0.15 0.24 -0.33 0.00 0.00 0.00 178.15 178.12 2bjk h GLU 143 N 0.09 0.91 0.06 2.37 4.39 -0.97 -1.54 114.58 119.88 2bjk h GLU 143 Ca 0.05 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2bjk h GLU 143 Cb 0.19 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2bjk h GLU 143 CO -0.00 0.77 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.67 2bjk h TYR 144 N 0.85 -0.08 -0.10 4.33 3.20 -0.49 -3.06 116.97 121.61 2bjk h TYR 144 Ca 0.20 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 2bjk h TYR 144 Cb 0.20 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2bjk h TYR 144 CO 0.01 0.35 -0.20 1.88 -1.64 0.00 0.00 178.16 178.56 2bjk h TYR 145 N -0.53 0.18 -0.81 -3.82 0.99 -0.93 0.10 116.97 112.16 2bjk h TYR 145 Ca -0.01 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2bjk h TYR 145 Cb 0.46 -0.05 -0.04 0.00 1.00 0.00 0.00 36.73 38.10 2bjk h TYR 145 CO 0.07 0.37 0.53 0.00 -0.00 0.00 0.00 178.16 179.13 2bjk h ALA 146 N 1.64 1.03 0.03 3.88 0.00 -1.29 -0.80 119.26 123.76 2bjk h ALA 146 Ca 0.03 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2bjk h ALA 146 Cb 0.45 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2bjk h ALA 146 CO 0.03 0.46 -0.72 0.00 0.00 0.00 0.00 179.25 179.02 2bjk h ARG 147 N 1.11 0.43 -0.46 0.00 3.08 -1.32 -3.31 114.38 113.90 2bjk h ARG 147 Ca 0.30 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 2bjk h ARG 147 Cb -0.11 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2bjk h ARG 147 CO -0.06 1.16 0.22 0.00 -1.07 0.00 0.00 179.97 180.23 2bjk h ALA 148 N 0.28 1.53 -0.21 0.04 0.00 -0.67 -2.37 119.26 117.85 2bjk h ALA 148 Ca -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bjk h ALA 148 Cb 1.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2bjk h ALA 148 CO 0.14 0.38 0.12 0.00 0.00 0.00 0.00 179.25 179.89 2bjk h ALA 149 N 1.60 1.82 0.00 0.00 0.00 -1.23 -1.52 119.26 119.93 2bjk h ALA 149 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2bjk h ALA 149 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bjk h ALA 149 CO -0.02 0.16 -0.08 -0.07 0.00 0.00 0.00 179.25 179.24 2bjk h LEU 150 N 0.29 0.00 -0.53 0.00 3.38 -1.54 -1.86 115.31 115.05 2bjk h LEU 150 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bjk h LEU 150 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bjk h LEU 150 CO -0.01 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.14 2bjk n ARG 151 N -3.42 0.16 -0.16 1.13 5.12 -0.57 -2.47 116.66 116.45 2bjk n ARG 151 Ca -0.01 0.38 0.08 0.00 -1.93 0.00 0.00 57.85 56.36 2bjk n ARG 151 Cb 0.23 -1.80 0.17 0.00 -1.16 0.00 0.00 32.46 29.90 2bjk n ARG 151 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2bjk n TYR 152 N -2.11 0.43 -1.71 -1.55 4.02 -0.70 -4.91 117.16 110.63 2bjk n TYR 152 Ca 0.03 -0.31 -0.36 0.00 -0.01 0.00 0.00 57.90 57.24 2bjk n TYR 152 Cb 0.23 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.61 2bjk n TYR 152 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2bjk s ARG 153 N -1.13 2.51 0.06 -0.72 1.70 -1.03 -4.44 118.95 115.90 2bjk s ARG 153 Ca 0.28 1.92 -0.33 0.00 -0.47 0.00 0.00 55.73 57.13 2bjk s ARG 153 Cb 0.16 -1.86 -0.12 0.00 -0.57 0.00 0.00 34.95 32.56 2bjk s ARG 153 CO 0.22 -1.59 1.76 0.98 -1.08 0.00 0.00 175.30 175.59 2bjk n TYR 154 N -2.08 2.38 -3.73 5.89 4.19 -1.26 -1.79 117.16 120.76 2bjk n TYR 154 Ca 0.15 0.05 -0.38 0.00 3.31 0.00 0.00 57.90 61.03 2bjk n TYR 154 Cb 0.49 -2.64 -0.12 0.00 0.49 0.00 0.00 39.34 37.56 2bjk n TYR 154 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2bjk s PRO 155 N 2.57 3.01 0.03 2.98 0.04 -1.26 -5.12 135.00 137.24 2bjk s PRO 155 Ca 0.85 -0.92 0.26 0.00 0.04 0.00 0.00 61.00 61.22 2bjk s PRO 155 Cb -0.63 -3.45 0.67 0.00 0.04 0.00 0.00 34.50 31.13 2bjk s PRO 155 CO 0.43 -0.51 1.54 0.00 0.04 0.00 0.00 177.00 178.50 2bjk n ALA 156 N 4.88 3.08 -2.52 8.56 0.00 -0.74 -4.94 120.51 128.82 2bjk n ALA 156 Ca -0.14 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.64 2bjk n ALA 156 Cb 0.47 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 2bjk n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bjk s VAL 157 N -3.04 4.82 -0.40 0.00 1.01 -1.13 -5.02 120.40 116.65 2bjk s VAL 157 Ca 0.11 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 2bjk s VAL 157 Cb 0.17 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2bjk s VAL 157 CO 0.66 0.30 1.03 -0.70 0.00 0.00 0.00 175.10 176.38 2bjk s GLU 158 N 0.35 3.83 0.29 2.72 2.12 -1.26 -4.64 118.70 122.11 2bjk s GLU 158 Ca 0.41 0.66 0.07 0.00 0.36 0.00 0.00 54.97 56.47 2bjk s GLU 158 Cb -0.20 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.30 2bjk s GLU 158 CO 0.23 -1.10 -0.05 0.14 -0.54 0.00 0.00 175.26 173.94 2bjk s VAL 159 N 3.85 1.65 -0.09 3.70 -7.23 -1.26 -5.11 120.40 115.92 2bjk s VAL 159 Ca 0.43 -2.12 -0.21 0.00 -1.81 0.00 0.00 61.98 58.27 2bjk s VAL 159 Cb -0.10 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2bjk s VAL 159 CO 0.23 -0.28 0.62 -0.69 -0.31 0.00 0.00 175.10 174.67 2bjk s VAL 160 N -3.01 5.10 0.76 1.32 1.01 -1.26 -5.06 120.40 119.26 2bjk s VAL 160 Ca 0.30 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 2bjk s VAL 160 Cb 0.04 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2bjk s VAL 160 CO 0.12 0.28 1.09 -2.16 0.00 0.00 0.00 175.10 174.43 2bjk s PRO 161 N 0.74 2.38 -0.00 2.72 0.04 -1.26 -4.97 135.00 134.64 2bjk s PRO 161 Ca 0.33 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2bjk s PRO 161 Cb -0.17 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2bjk s PRO 161 CO 0.15 -1.44 -0.01 -0.47 0.04 0.00 0.00 177.00 175.27 2bjk s TYR 162 N -3.13 0.13 0.26 0.56 5.04 -1.26 -5.13 117.35 113.82 2bjk s TYR 162 Ca 0.60 -0.02 -0.31 0.00 -2.44 0.00 0.00 57.07 54.90 2bjk s TYR 162 Cb -0.14 -0.09 -0.13 0.00 0.35 0.00 0.00 41.96 41.95 2bjk s TYR 162 CO 0.54 -0.01 1.42 -2.30 -1.34 0.00 0.00 175.55 173.86 2bjk n PRO 163 N 3.08 2.12 -1.16 4.97 -0.02 -1.26 -2.66 135.00 140.07 2bjk n PRO 163 Ca -0.13 0.75 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 2bjk n PRO 163 Cb 0.59 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 2bjk n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjk n GLY 164 N 2.01 0.70 3.05 -1.23 0.00 -1.26 -4.99 105.19 103.48 2bjk n GLY 164 Ca 0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2bjk n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bjk s GLU 165 N -2.03 0.51 -0.19 1.61 2.02 -1.09 -1.96 118.70 117.57 2bjk s GLU 165 Ca 0.00 -0.91 -0.05 0.00 0.02 0.00 0.00 54.97 54.03 2bjk s GLU 165 Cb 0.00 0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.23 2bjk s GLU 165 CO 0.00 -0.05 -0.00 0.34 0.02 0.00 0.00 175.26 175.57 2bjk s ASP 166 N -2.12 4.87 -0.22 -0.19 -1.08 -0.37 -4.58 116.67 112.99 2bjk s ASP 166 Ca -0.05 -0.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.82 2bjk s ASP 166 Cb -0.03 -1.83 0.05 0.00 -1.46 0.00 0.00 42.92 39.65 2bjk s ASP 166 CO -0.04 0.09 -0.11 0.20 0.52 0.00 0.00 175.17 175.83 2bjk s ASN 167 N 0.86 3.69 -0.15 -0.34 0.01 -1.26 -0.94 114.94 116.81 2bjk s ASN 167 Ca 0.01 -1.03 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 2bjk s ASN 167 Cb -0.14 -1.33 0.02 0.00 0.41 0.00 0.00 41.25 40.21 2bjk s ASN 167 CO 0.02 -0.15 -0.13 -0.70 -1.51 0.00 0.00 177.10 174.62 2bjk s GLU 168 N 1.31 2.22 -0.06 -0.60 2.12 -0.16 -4.95 118.70 118.58 2bjk s GLU 168 Ca -0.03 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2bjk s GLU 168 Cb -0.17 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 2bjk s GLU 168 CO -0.08 -0.24 -0.12 -1.12 -0.54 0.00 0.00 175.26 173.17 2bjk s SER 169 N 1.51 4.23 0.16 -1.70 0.01 -1.26 -0.42 113.70 116.23 2bjk s SER 169 Ca 0.05 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.02 2bjk s SER 169 Cb -0.13 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 65.11 2bjk s SER 169 CO -0.10 0.34 0.41 0.72 0.41 0.00 0.00 173.24 175.01 2bjk s PHE 170 N -0.66 0.01 0.11 2.43 -0.71 -0.22 -2.83 117.98 116.11 2bjk s PHE 170 Ca 0.10 -0.35 -0.06 0.00 -1.04 0.00 0.00 56.93 55.57 2bjk s PHE 170 Cb -0.11 0.21 -0.06 0.00 -1.21 0.00 0.00 43.02 41.85 2bjk s PHE 170 CO 0.01 -0.78 0.38 0.71 -1.34 0.00 0.00 175.22 174.20 2bjk s TYR 171 N -3.88 3.51 0.02 3.49 1.51 -1.26 -0.87 117.35 119.88 2bjk s TYR 171 Ca 0.09 0.63 0.02 0.00 -1.01 0.00 0.00 57.07 56.79 2bjk s TYR 171 Cb 0.01 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2bjk s TYR 171 CO -0.05 0.47 -0.06 0.14 -1.11 0.00 0.00 175.55 174.94 2bjk s VAL 172 N -1.56 0.40 0.86 0.71 -7.23 -0.12 -4.89 120.40 108.56 2bjk s VAL 172 Ca 0.38 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.69 2bjk s VAL 172 Cb -0.13 -0.44 0.11 0.00 0.56 0.00 0.00 36.38 36.48 2bjk s VAL 172 CO 0.22 -0.24 1.09 -2.16 -0.31 0.00 0.00 175.10 173.70 2bjk s PRO 173 N -1.06 1.58 -0.08 4.82 0.04 -1.26 -1.01 135.00 138.03 2bjk s PRO 173 Ca -0.07 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 2bjk s PRO 173 Cb -0.07 -1.83 -0.29 0.00 0.04 0.00 0.00 34.50 32.34 2bjk s PRO 173 CO -0.00 -2.06 0.82 -0.07 0.04 0.00 0.00 177.00 175.73 2bjk h LEU 174 N -1.43 0.30 0.00 -3.56 3.38 -1.89 -3.44 115.31 108.68 2bjk h LEU 174 Ca -0.47 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 56.54 2bjk h LEU 174 Cb 1.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2bjk h LEU 174 CO 0.53 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.94 2bjk n GLY 175 N 1.65 0.12 3.73 0.83 0.00 -1.26 -5.01 105.19 105.25 2bjk n GLY 175 Ca -0.14 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 2bjk n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjk s ALA 176 N -1.00 3.60 0.35 4.61 0.00 -1.26 -1.78 121.76 126.28 2bjk s ALA 176 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2bjk s ALA 176 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 2bjk s ALA 176 CO 0.00 0.11 0.15 0.20 0.00 0.00 0.00 175.76 176.22 2bjk s GLY 177 N 0.41 2.30 -0.04 0.00 0.00 -0.51 -1.23 107.32 108.25 2bjk s GLY 177 Ca 0.16 -1.62 0.05 0.00 0.00 0.00 0.00 44.72 43.32 2bjk s GLY 177 CO 0.04 -1.68 -0.19 0.54 0.00 0.00 0.00 173.10 171.81 2bjk s VAL 178 N -3.42 2.68 -0.17 1.40 0.11 -0.53 -1.23 120.40 119.24 2bjk s VAL 178 Ca 0.32 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2bjk s VAL 178 Cb 0.04 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.87 2bjk s VAL 178 CO 0.17 0.59 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.75 2bjk s VAL 179 N -0.64 3.24 -0.23 2.04 1.01 0.05 -0.81 120.40 125.07 2bjk s VAL 179 Ca 0.10 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2bjk s VAL 179 Cb -0.11 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.91 2bjk s VAL 179 CO 0.00 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 2bjk s ILE 180 N 0.84 1.90 0.27 2.22 1.01 -0.19 0.13 121.20 127.38 2bjk s ILE 180 Ca -0.03 -1.31 0.08 0.00 0.00 0.00 0.00 60.65 59.40 2bjk s ILE 180 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2bjk s ILE 180 CO 0.01 0.08 0.12 0.00 0.00 0.00 0.00 174.94 175.15 2bjk s ALA 181 N 1.26 3.42 0.57 9.38 0.00 -0.92 -2.17 121.76 133.30 2bjk s ALA 181 Ca -0.05 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 2bjk s ALA 181 Cb -0.18 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2bjk s ALA 181 CO -0.07 0.22 0.83 -1.25 0.00 0.00 0.00 175.76 175.49 2bjk s PRO 182 N -3.79 2.67 0.05 0.00 0.04 -1.17 -2.97 135.00 129.84 2bjk s PRO 182 Ca 0.33 -0.43 0.24 0.00 0.04 0.00 0.00 61.00 61.18 2bjk s PRO 182 Cb -0.07 -2.39 0.25 0.00 0.04 0.00 0.00 34.50 32.33 2bjk s PRO 182 CO 0.23 -0.72 1.21 -2.67 0.04 0.00 0.00 177.00 175.09 2bjk n TRP 183 N -2.46 0.27 0.12 0.56 4.27 -1.26 -4.11 117.44 114.83 2bjk n TRP 183 Ca 0.06 0.08 -0.02 0.00 -3.89 0.00 0.00 57.50 53.72 2bjk n TRP 183 Cb 0.59 -0.43 0.10 0.00 -1.36 0.00 0.00 31.31 30.21 2bjk n TRP 183 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 2bjk h ASN 184 N 0.00 0.00 -2.05 -0.67 -1.07 -1.96 -3.32 115.58 106.52 2bjk h ASN 184 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.83 2bjk h ASN 184 Cb 0.66 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.51 2bjk h ASN 184 CO 0.00 0.70 -1.03 0.49 0.07 0.00 0.00 177.43 177.66 2bjk n PHE 185 N -3.65 0.65 0.43 4.14 3.01 -1.26 -4.97 117.46 115.81 2bjk n PHE 185 Ca -0.01 -3.75 0.05 0.00 1.01 0.00 0.00 57.45 54.75 2bjk n PHE 185 Cb 0.70 -0.41 0.24 0.00 -0.01 0.00 0.00 39.48 40.00 2bjk n PHE 185 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2bjk n PRO 186 N 0.87 0.09 -0.05 -1.08 -0.04 -1.25 -1.51 135.00 132.04 2bjk n PRO 186 Ca 0.24 0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2bjk n PRO 186 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2bjk n PRO 186 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bjk n VAL 187 N -1.36 1.18 0.43 0.52 0.31 -1.26 -4.43 118.33 113.72 2bjk n VAL 187 Ca 0.04 0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.25 2bjk n VAL 187 Cb 0.09 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.03 2bjk n VAL 187 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bjk h ALA 188 N -0.57 -1.28 -0.47 3.52 0.00 -1.65 -0.26 119.26 118.54 2bjk h ALA 188 Ca -0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 2bjk h ALA 188 Cb 0.88 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2bjk h ALA 188 CO -0.10 -1.22 -0.15 0.82 0.00 0.00 0.00 179.25 178.60 2bjk h ILE 189 N -1.15 1.27 -0.17 0.00 2.04 -1.59 -0.17 117.51 117.73 2bjk h ILE 189 Ca -0.11 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.48 2bjk h ILE 189 Cb 0.91 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2bjk h ILE 189 CO 0.14 0.44 0.09 0.15 0.00 0.00 0.00 178.15 178.96 2bjk h PHE 190 N 0.80 0.16 -0.05 1.37 3.04 -1.61 -1.31 116.94 119.34 2bjk h PHE 190 Ca 0.12 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 2bjk h PHE 190 Cb 0.69 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 2bjk h PHE 190 CO 0.04 0.09 0.01 1.15 -2.02 0.00 0.00 178.31 177.59 2bjk h THR 191 N 0.18 1.19 -0.40 4.41 2.02 -0.84 -2.89 112.91 116.59 2bjk h THR 191 Ca 0.07 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.71 2bjk h THR 191 Cb 0.01 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2bjk h THR 191 CO -0.05 0.16 0.20 1.23 0.37 0.00 0.00 175.52 177.43 2bjk h GLY 192 N -0.13 0.54 2.00 2.16 0.00 -0.92 -0.07 103.07 106.65 2bjk h GLY 192 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2bjk h GLY 192 CO 0.00 0.10 -0.09 -0.33 0.00 0.00 0.00 176.54 176.22 2bjk h MET 193 N 0.40 0.00 0.00 4.80 2.86 -1.25 -2.27 114.93 119.47 2bjk h MET 193 Ca 0.17 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.70 2bjk h MET 193 Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2bjk h MET 193 CO -0.12 0.09 -0.72 0.82 1.06 0.00 0.00 176.91 178.04 2bjk h ILE 194 N 0.00 0.71 0.00 -1.22 2.04 -1.21 -3.40 117.51 114.44 2bjk h ILE 194 Ca -0.00 -1.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.04 2bjk h ILE 194 Cb 0.35 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2bjk h ILE 194 CO 0.01 0.24 -0.29 -0.37 0.00 0.00 0.00 178.15 177.75 2bjk h VAL 195 N -1.00 0.82 0.79 1.67 -1.51 -1.02 -2.53 116.25 113.47 2bjk h VAL 195 Ca -0.16 -1.16 -0.04 0.00 -1.23 0.00 0.00 66.70 64.11 2bjk h VAL 195 Cb 0.90 1.71 0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2bjk h VAL 195 CO -0.10 0.28 -0.38 1.23 -1.23 0.00 0.00 177.57 177.37 2bjk h GLY 196 N 1.58 -1.11 1.01 5.19 0.00 -1.63 0.93 103.07 109.03 2bjk h GLY 196 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2bjk h GLY 196 CO 0.04 -0.40 0.51 -2.55 0.00 0.00 0.00 176.54 174.13 2bjk h PRO 197 N -1.13 1.07 -0.56 4.80 0.11 -1.75 -2.81 132.00 131.72 2bjk h PRO 197 Ca -0.11 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 65.86 2bjk h PRO 197 Cb 0.83 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 2bjk h PRO 197 CO 0.18 0.73 0.11 0.28 -0.21 0.00 0.00 178.00 179.09 2bjk h VAL 198 N 1.09 1.24 -0.99 3.15 2.07 -1.40 -2.21 116.25 119.19 2bjk h VAL 198 Ca 0.29 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 67.05 2bjk h VAL 198 Cb -0.09 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 2bjk h VAL 198 CO -0.06 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.48 2bjk h ALA 199 N 1.28 1.58 -0.49 1.67 0.00 -0.53 -1.74 119.26 121.02 2bjk h ALA 199 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bjk h ALA 199 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bjk h ALA 199 CO 0.00 0.16 0.00 1.33 0.00 0.00 0.00 179.25 180.74 2bjk n VAL 200 N -4.62 0.93 0.00 0.00 0.24 -1.16 -4.68 118.33 109.04 2bjk n VAL 200 Ca 0.19 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 2bjk n VAL 200 Cb 0.39 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2bjk n VAL 200 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bjk n GLY 201 N 1.15 0.79 3.93 7.63 0.00 -0.65 -4.26 105.19 113.77 2bjk n GLY 201 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2bjk n GLY 201 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bjk s ASN 202 N -1.31 5.26 0.18 1.61 0.01 -0.84 -3.93 114.94 115.93 2bjk s ASN 202 Ca 0.00 0.50 0.11 0.00 -0.71 0.00 0.00 52.86 52.76 2bjk s ASN 202 Cb 0.00 -1.36 -0.04 0.00 0.41 0.00 0.00 41.25 40.26 2bjk s ASN 202 CO 0.00 -1.26 -0.24 0.42 -1.51 0.00 0.00 177.10 174.51 2bjk s THR 203 N -3.04 2.29 0.03 1.60 -4.23 -0.73 -4.15 115.64 107.41 2bjk s THR 203 Ca 0.56 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2bjk s THR 203 Cb -0.11 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 2bjk s THR 203 CO 0.44 -0.11 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.63 2bjk s VAL 204 N -1.64 0.65 -0.26 2.29 1.01 -0.01 -1.42 120.40 121.02 2bjk s VAL 204 Ca 0.19 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2bjk s VAL 204 Cb -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.70 2bjk s VAL 204 CO 0.09 -0.14 -0.04 -0.63 0.00 0.00 0.00 175.10 174.38 2bjk s ILE 205 N -0.88 2.90 -0.22 2.22 1.01 -0.36 -1.00 121.20 124.87 2bjk s ILE 205 Ca -0.03 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 2bjk s ILE 205 Cb -0.07 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 2bjk s ILE 205 CO 0.00 0.11 0.14 0.00 0.00 0.00 0.00 174.94 175.19 2bjk s ALA 206 N 1.30 3.64 -0.46 9.38 0.00 0.13 -0.77 121.76 134.98 2bjk s ALA 206 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2bjk s ALA 206 Cb -0.18 -2.22 0.12 0.00 0.00 0.00 0.00 23.12 20.85 2bjk s ALA 206 CO -0.03 0.00 0.24 0.21 0.00 0.00 0.00 175.76 176.18 2bjk s LYS 207 N 0.67 2.06 0.68 0.00 2.36 0.12 -0.50 119.74 125.13 2bjk s LYS 207 Ca 0.07 -2.05 -0.14 0.00 -2.55 0.00 0.00 55.97 51.31 2bjk s LYS 207 Cb -0.12 -3.55 0.01 0.00 -1.05 0.00 0.00 37.83 33.12 2bjk s LYS 207 CO 0.01 -1.08 1.10 -1.25 1.55 0.00 0.00 175.35 175.67 2bjk s PRO 208 N 0.74 2.72 0.47 4.03 0.04 -1.26 -2.16 135.00 139.57 2bjk s PRO 208 Ca 0.11 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 2bjk s PRO 208 Cb -0.22 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 2bjk s PRO 208 CO -0.04 -1.30 1.24 0.00 0.04 0.00 0.00 177.00 176.94 2bjk s ALA 209 N -2.55 2.98 0.34 8.56 0.00 -1.16 -4.48 121.76 125.45 2bjk s ALA 209 Ca 0.64 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.77 2bjk s ALA 209 Cb -0.19 -3.45 0.77 0.00 0.00 0.00 0.00 23.12 20.25 2bjk s ALA 209 CO 0.46 -0.88 1.85 0.93 0.00 0.00 0.00 175.76 178.11 2bjk h GLU 210 N 1.99 0.73 0.00 0.00 3.07 -1.90 -1.55 114.58 116.93 2bjk h GLU 210 Ca -0.50 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2bjk h GLU 210 Cb 1.26 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2bjk h GLU 210 CO 0.60 0.48 0.00 -0.25 -1.40 0.00 0.00 179.01 178.44 2bjk n ASP 211 N -4.60 0.00 -2.27 1.42 8.00 -1.26 -3.78 116.55 114.06 2bjk n ASP 211 Ca 0.19 -0.33 -0.00 0.00 0.71 0.00 0.00 54.79 55.36 2bjk n ASP 211 Cb 0.47 -0.20 0.04 0.00 -0.02 0.00 0.00 41.12 41.42 2bjk n ASP 211 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjk n ALA 212 N -1.20 2.73 0.14 2.24 0.00 -0.59 -4.71 120.51 119.13 2bjk n ALA 212 Ca 0.15 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2bjk n ALA 212 Cb 0.17 -0.77 0.27 0.00 0.00 0.00 0.00 19.45 19.12 2bjk n ALA 212 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2bjk h VAL 213 N 5.61 1.31 -0.06 0.00 -1.51 -1.63 -2.89 116.25 117.09 2bjk h VAL 213 Ca -0.13 -1.51 -0.02 0.00 -1.23 0.00 0.00 66.70 63.81 2bjk h VAL 213 Cb 1.48 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 2bjk h VAL 213 CO 0.19 0.44 -0.03 0.58 -1.23 0.00 0.00 177.57 177.52 2bjk h VAL 214 N 0.08 1.33 0.00 7.19 2.07 -1.91 -2.00 116.25 123.01 2bjk h VAL 214 Ca 0.00 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 2bjk h VAL 214 Cb 0.79 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2bjk h VAL 214 CO 0.06 0.29 -0.29 1.62 0.02 0.00 0.00 177.57 179.27 2bjk h VAL 215 N -0.26 1.08 -0.66 2.57 3.04 -1.92 -1.66 116.25 118.43 2bjk h VAL 215 Ca 0.01 -1.05 -0.07 0.00 -1.01 0.00 0.00 66.70 64.59 2bjk h VAL 215 Cb 0.48 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 2bjk h VAL 215 CO 0.01 0.29 0.13 1.23 -1.01 0.00 0.00 177.57 178.22 2bjk h GLY 216 N 1.05 1.16 1.16 3.17 0.00 -1.38 -1.84 103.07 106.39 2bjk h GLY 216 Ca -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 2bjk h GLY 216 CO 0.04 0.69 0.22 0.00 0.00 0.00 0.00 176.54 177.48 2bjk h ALA 217 N 1.12 1.08 -0.23 3.60 0.00 -0.55 -2.13 119.26 122.16 2bjk h ALA 217 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2bjk h ALA 217 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bjk h ALA 217 CO 0.01 0.63 -0.19 0.87 0.00 0.00 0.00 179.25 180.56 2bjk h LYS 218 N 1.02 0.40 -0.67 0.00 1.57 -0.94 -0.84 116.57 117.12 2bjk h LYS 218 Ca 0.22 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2bjk h LYS 218 Cb 0.29 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2bjk h LYS 218 CO -0.01 0.58 0.13 0.28 -0.57 0.00 0.00 179.45 179.86 2bjk h VAL 219 N 0.36 1.26 0.00 0.50 2.07 -0.90 -2.23 116.25 117.31 2bjk h VAL 219 Ca 0.06 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 2bjk h VAL 219 Cb 0.55 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2bjk h VAL 219 CO 0.04 0.38 -0.28 -0.26 0.02 0.00 0.00 177.57 177.46 2bjk h PHE 220 N 1.02 0.00 -0.56 1.57 -1.00 -0.68 -1.67 116.94 115.62 2bjk h PHE 220 Ca 0.21 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.94 2bjk h PHE 220 Cb 0.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 2bjk h PHE 220 CO 0.03 0.28 0.15 0.93 -1.61 0.00 0.00 178.31 178.09 2bjk h GLU 221 N 0.00 0.86 -0.33 1.51 5.08 -0.58 -0.06 114.58 121.06 2bjk h GLU 221 Ca -0.00 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2bjk h GLU 221 Cb 0.68 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2bjk h GLU 221 CO 0.04 0.76 -0.07 0.82 -1.00 0.00 0.00 179.01 179.56 2bjk h ILE 222 N 0.83 1.28 -0.79 3.13 2.04 -1.03 -1.13 117.51 121.84 2bjk h ILE 222 Ca 0.18 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 2bjk h ILE 222 Cb 0.28 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2bjk h ILE 222 CO -0.00 0.36 0.49 -0.26 0.00 0.00 0.00 178.15 178.74 2bjk h PHE 223 N 0.41 1.03 -0.18 1.37 0.04 -0.93 0.03 116.94 118.71 2bjk h PHE 223 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2bjk h PHE 223 Cb 0.56 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2bjk h PHE 223 CO 0.05 0.68 0.08 1.25 -0.60 0.00 0.00 178.31 179.76 2bjk h HIS 224 N 1.08 0.26 -0.42 -0.55 2.76 -0.87 -2.61 115.15 114.81 2bjk h HIS 224 Ca 0.29 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.39 2bjk h HIS 224 Cb -0.06 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2bjk h HIS 224 CO -0.01 0.31 0.07 1.49 -1.30 0.00 0.00 177.93 178.49 2bjk h GLU 225 N 0.14 0.63 -0.01 5.26 4.81 -0.87 -2.21 114.58 122.32 2bjk h GLU 225 Ca 0.06 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2bjk h GLU 225 Cb 0.16 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2bjk h GLU 225 CO -0.01 0.60 -0.19 0.00 -0.73 0.00 0.00 179.01 178.68 2bjk h ALA 226 N 1.47 1.66 0.00 2.92 0.00 -0.77 -3.47 119.26 121.07 2bjk h ALA 226 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bjk h ALA 226 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bjk h ALA 226 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2bjk n GLY 227 N -0.96 1.49 3.75 0.00 0.00 -0.83 -4.90 105.19 103.74 2bjk n GLY 227 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2bjk n GLY 227 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bjk s PHE 228 N -2.00 2.74 0.62 1.61 0.08 -1.18 -4.91 117.98 114.95 2bjk s PHE 228 Ca 0.00 0.71 -0.18 0.00 0.12 0.00 0.00 56.93 57.58 2bjk s PHE 228 Cb 0.00 -4.10 -0.03 0.00 -0.57 0.00 0.00 43.02 38.32 2bjk s PHE 228 CO 0.00 -3.76 1.08 -2.30 -0.10 0.00 0.00 175.22 170.14 2bjk n PRO 229 N 2.37 0.97 -1.64 0.24 -0.02 -1.26 -4.86 135.00 130.80 2bjk n PRO 229 Ca 0.09 0.38 -0.47 0.00 -2.02 0.00 0.00 63.50 61.48 2bjk n PRO 229 Cb 0.37 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2bjk n PRO 229 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bjk n PRO 230 N -1.34 1.74 0.00 0.52 -0.04 -1.26 -1.84 135.00 132.78 2bjk n PRO 230 Ca 0.15 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2bjk n PRO 230 Cb 0.48 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2bjk n PRO 230 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bjk n GLY 231 N 2.51 2.78 0.30 0.55 0.00 -1.26 -4.55 105.19 105.51 2bjk n GLY 231 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2bjk n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bjk h VAL 232 N 0.00 1.26 -3.73 1.61 2.07 -1.64 -3.31 116.25 112.49 2bjk h VAL 232 Ca 0.00 -0.93 -0.44 0.00 0.82 0.00 0.00 66.70 66.15 2bjk h VAL 232 Cb 0.00 0.63 -0.31 0.00 -1.52 0.00 0.00 31.29 30.08 2bjk h VAL 232 CO 0.00 0.35 -0.79 0.68 0.02 0.00 0.00 177.57 177.83 2bjk s VAL 233 N -5.32 0.82 0.00 2.57 -7.23 -1.26 -0.83 120.40 109.16 2bjk s VAL 233 Ca -0.12 -0.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2bjk s VAL 233 Cb 0.14 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 2bjk s VAL 233 CO 0.83 0.26 -0.12 0.20 -0.31 0.00 0.00 175.10 175.96 2bjk s ASN 234 N 0.32 1.39 -0.32 4.85 0.01 -0.17 -4.71 114.94 116.31 2bjk s ASN 234 Ca -0.05 -0.26 -0.06 0.00 -0.71 0.00 0.00 52.86 51.77 2bjk s ASN 234 Cb -0.10 -0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.45 2bjk s ASN 234 CO 0.01 0.11 0.08 0.12 -1.51 0.00 0.00 177.10 175.91 2bjk s PHE 235 N -0.40 3.20 -0.59 2.20 5.99 0.99 0.17 117.98 129.54 2bjk s PHE 235 Ca 0.04 -1.28 0.06 0.00 0.00 0.00 0.00 56.93 55.74 2bjk s PHE 235 Cb -0.05 -2.25 0.24 0.00 0.00 0.00 0.00 43.02 40.96 2bjk s PHE 235 CO -0.00 -0.68 0.68 1.28 -0.00 0.00 0.00 175.22 176.50 2bjk n LEU 236 N 4.82 2.98 -4.77 6.12 4.77 0.34 -1.98 117.00 129.28 2bjk n LEU 236 Ca -0.13 -5.27 -0.40 0.00 -0.03 0.00 0.00 56.01 50.17 2bjk n LEU 236 Cb 0.46 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2bjk n LEU 236 CO 0.31 2.04 1.06 -2.16 -1.33 0.00 0.00 177.39 177.31 2bjk s PRO 237 N -2.13 3.82 0.00 3.23 0.04 -1.26 -4.45 135.00 134.25 2bjk s PRO 237 Ca 0.38 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2bjk s PRO 237 Cb 0.14 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2bjk s PRO 237 CO -0.04 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2bjk n GLY 238 N 0.58 -1.56 3.69 0.56 0.00 -1.26 -0.85 105.19 106.36 2bjk n GLY 238 Ca 0.04 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2bjk n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bjk s VAL 239 N -2.45 4.57 0.14 1.61 1.01 -1.26 -4.58 120.40 119.43 2bjk s VAL 239 Ca 0.00 1.86 -0.25 0.00 0.00 0.00 0.00 61.98 63.59 2bjk s VAL 239 Cb 0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2bjk s VAL 239 CO 0.00 0.04 1.62 1.23 0.00 0.00 0.00 175.10 177.99 2bjk h GLY 240 N 7.75 -0.36 1.72 4.51 0.00 -1.96 -0.99 103.07 113.73 2bjk h GLY 240 Ca -0.35 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bjk h GLY 240 CO 0.84 -0.21 0.00 -1.84 0.00 0.00 0.00 176.54 175.33 2bjk n GLU 241 N -5.39 0.11 0.00 4.80 0.28 -1.26 -0.98 120.64 118.19 2bjk n GLU 241 Ca -0.03 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 2bjk n GLU 241 Cb 0.31 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.68 2bjk n GLU 241 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2bjk n GLU 242 N -1.36 0.00 0.05 3.44 1.02 -0.50 -4.45 120.64 118.84 2bjk n GLU 242 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2bjk n GLU 242 Cb 0.10 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 31.78 2bjk n GLU 242 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2bjk h VAL 243 N 0.00 1.25 0.20 2.62 3.04 -1.40 -1.36 116.25 120.61 2bjk h VAL 243 Ca 0.00 -1.16 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 2bjk h VAL 243 Cb 0.00 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2bjk h VAL 243 CO 0.00 0.36 -0.10 1.23 -1.01 0.00 0.00 177.57 178.05 2bjk h GLY 244 N 0.98 -0.29 1.23 3.17 0.00 -1.25 -2.27 103.07 104.65 2bjk h GLY 244 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2bjk h GLY 244 CO 0.04 -0.10 0.30 0.00 0.00 0.00 0.00 176.54 176.78 2bjk h ALA 245 N 0.30 1.25 -0.60 3.60 0.00 -0.99 -1.40 119.26 121.42 2bjk h ALA 245 Ca -0.03 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2bjk h ALA 245 Cb 0.35 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2bjk h ALA 245 CO 0.05 0.57 0.32 -0.92 0.00 0.00 0.00 179.25 179.27 2bjk h TYR 246 N 0.97 0.59 -0.25 0.00 3.20 -1.11 -1.25 116.97 119.13 2bjk h TYR 246 Ca 0.23 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.93 2bjk h TYR 246 Cb 0.14 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2bjk h TYR 246 CO 0.01 0.29 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.15 2bjk h LEU 247 N 0.61 0.95 -0.99 2.82 3.38 -1.00 -2.45 115.31 118.63 2bjk h LEU 247 Ca 0.27 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2bjk h LEU 247 Cb 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2bjk h LEU 247 CO -0.17 1.34 0.64 0.58 0.09 0.00 0.00 178.44 180.92 2bjk h VAL 248 N 0.60 1.13 -0.01 1.22 2.07 -0.87 -2.41 116.25 117.98 2bjk h VAL 248 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2bjk h VAL 248 Cb 1.21 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2bjk h VAL 248 CO 0.13 0.22 -0.15 -0.62 0.02 0.00 0.00 177.57 177.17 2bjk n GLU 249 N -4.48 1.03 -2.17 1.57 1.02 -0.51 -4.69 120.64 112.41 2bjk n GLU 249 Ca 0.14 -0.55 -0.41 0.00 -0.02 0.00 0.00 57.16 56.32 2bjk n GLU 249 Cb 0.14 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 2bjk n GLU 249 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2bjk s HIS 250 N -2.35 3.19 0.37 -0.32 2.46 -0.91 -4.75 115.29 112.98 2bjk s HIS 250 Ca 0.29 1.20 0.36 0.00 0.47 0.00 0.00 55.06 57.38 2bjk s HIS 250 Cb 0.20 -3.65 1.75 0.00 -0.13 0.00 0.00 32.58 30.74 2bjk s HIS 250 CO 0.46 -2.04 2.14 -1.00 -2.47 0.00 0.00 174.74 171.82 2bjk h PRO 251 N 5.10 0.00 -0.49 2.88 0.13 -1.89 -2.82 132.00 134.90 2bjk h PRO 251 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2bjk h PRO 251 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bjk h PRO 251 CO 0.76 0.04 0.00 0.54 -0.23 0.00 0.00 178.00 179.11 2bjk n ARG 252 N -3.23 2.39 -3.29 0.86 1.74 -1.26 -4.53 116.66 109.34 2bjk n ARG 252 Ca -0.01 -2.14 -0.39 0.00 -0.77 0.00 0.00 57.85 54.54 2bjk n ARG 252 Cb 0.21 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 2bjk n ARG 252 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bjk s ILE 253 N -1.35 5.13 0.04 0.55 -1.09 -1.07 -4.85 121.20 118.57 2bjk s ILE 253 Ca 0.40 0.84 -0.09 0.00 -2.23 0.00 0.00 60.65 59.56 2bjk s ILE 253 Cb 0.22 -3.80 -0.32 0.00 -1.58 0.00 0.00 42.46 36.98 2bjk s ILE 253 CO 0.29 0.18 1.02 -0.09 -1.23 0.00 0.00 174.94 175.11 2bjk h ARG 254 N 7.61 0.39 -3.65 2.79 9.65 -1.50 -3.47 114.38 126.20 2bjk h ARG 254 Ca -0.33 -0.67 -0.07 0.00 -1.10 0.00 0.00 59.98 57.81 2bjk h ARG 254 Cb 1.15 0.25 -0.13 0.00 -1.39 0.00 0.00 29.97 29.85 2bjk h ARG 254 CO 0.72 1.31 -0.25 -0.59 2.80 0.00 0.00 179.97 183.96 2bjk s PHE 255 N -2.62 0.04 -0.08 2.20 -0.71 -1.26 -3.02 117.98 112.53 2bjk s PHE 255 Ca -0.07 -0.42 0.01 0.00 -1.04 0.00 0.00 56.93 55.41 2bjk s PHE 255 Cb 0.06 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 2bjk s PHE 255 CO 0.91 -0.63 -0.10 0.42 -1.34 0.00 0.00 175.22 174.48 2bjk s ILE 256 N -3.85 1.05 -0.29 -4.49 1.01 0.16 -1.46 121.20 113.34 2bjk s ILE 256 Ca 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2bjk s ILE 256 Cb 0.03 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.55 2bjk s ILE 256 CO -0.10 0.35 -0.02 0.21 0.00 0.00 0.00 174.94 175.38 2bjk s ASN 257 N 1.01 4.82 -0.01 3.58 2.47 0.01 -0.88 114.94 125.94 2bjk s ASN 257 Ca -0.08 -1.27 0.06 0.00 0.42 0.00 0.00 52.86 51.98 2bjk s ASN 257 Cb -0.15 -1.69 -0.02 0.00 -1.45 0.00 0.00 41.25 37.95 2bjk s ASN 257 CO -0.00 -0.25 -0.19 0.12 -3.72 0.00 0.00 177.10 173.06 2bjk s PHE 258 N 1.24 1.71 -0.05 0.43 5.36 0.42 -1.02 117.98 126.07 2bjk s PHE 258 Ca -0.06 -0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 2bjk s PHE 258 Cb -0.20 -1.10 0.03 0.00 -0.34 0.00 0.00 43.02 41.42 2bjk s PHE 258 CO -0.02 -0.02 0.03 0.99 -1.46 0.00 0.00 175.22 174.74 2bjk s THR 259 N -0.48 0.11 -1.47 0.12 2.01 -0.92 -1.39 115.64 113.61 2bjk s THR 259 Ca 0.07 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2bjk s THR 259 Cb -0.07 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.14 2bjk s THR 259 CO -0.01 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2bjk n GLY 260 N 4.97 -0.63 3.77 4.40 0.00 -0.71 -3.04 105.19 113.95 2bjk n GLY 260 Ca -0.10 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2bjk n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bjk s SER 261 N -4.00 5.16 0.20 1.61 1.04 -1.26 -3.80 113.70 112.65 2bjk s SER 261 Ca 0.00 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.33 2bjk s SER 261 Cb 0.00 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.70 2bjk s SER 261 CO 0.00 -1.60 1.76 0.25 0.98 0.00 0.00 173.24 174.64 2bjk h LEU 262 N 0.07 1.00 -0.43 2.42 5.85 -1.90 0.48 115.31 122.80 2bjk h LEU 262 Ca -0.47 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.16 2bjk h LEU 262 Cb 1.24 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2bjk h LEU 262 CO 0.54 0.89 0.05 -0.08 -0.34 0.00 0.00 178.44 179.51 2bjk h GLU 263 N 1.04 0.17 -0.13 1.25 4.81 -1.92 0.51 114.58 120.31 2bjk h GLU 263 Ca 0.24 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.24 2bjk h GLU 263 Cb 0.20 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.55 2bjk h GLU 263 CO -0.02 0.11 -0.81 0.28 -0.73 0.00 0.00 179.01 177.84 2bjk h VAL 264 N 0.17 1.28 -0.91 0.32 2.07 -1.90 -3.15 116.25 114.14 2bjk h VAL 264 Ca 0.21 -2.01 0.05 0.00 0.82 0.00 0.00 66.70 65.77 2bjk h VAL 264 Cb 0.29 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2bjk h VAL 264 CO -0.31 0.64 0.60 1.23 0.02 0.00 0.00 177.57 179.74 2bjk h GLY 265 N 0.58 1.33 1.00 2.17 0.00 -0.32 -0.53 103.07 107.30 2bjk h GLY 265 Ca -0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2bjk h GLY 265 CO 0.16 0.34 0.24 1.41 0.00 0.00 0.00 176.54 178.69 2bjk h LEU 266 N 1.08 0.83 -0.55 3.11 3.38 -0.93 -0.38 115.31 121.85 2bjk h LEU 266 Ca 0.38 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2bjk h LEU 266 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2bjk h LEU 266 CO -0.13 0.77 0.12 0.11 0.09 0.00 0.00 178.44 179.40 2bjk h LYS 267 N 0.83 0.90 -0.44 1.13 1.57 -1.30 -1.83 116.57 117.43 2bjk h LYS 267 Ca 0.20 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2bjk h LYS 267 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2bjk h LYS 267 CO -0.02 0.84 -0.03 0.82 -0.57 0.00 0.00 179.45 180.50 2bjk h ILE 268 N 0.79 1.27 -0.62 1.86 2.04 -0.89 -1.13 117.51 120.83 2bjk h ILE 268 Ca 0.17 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 2bjk h ILE 268 Cb 0.36 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2bjk h ILE 268 CO 0.00 0.38 0.12 0.22 0.00 0.00 0.00 178.15 178.87 2bjk h TYR 269 N 0.63 1.03 -0.24 1.37 5.03 -0.97 0.05 116.97 123.89 2bjk h TYR 269 Ca 0.12 -0.12 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 2bjk h TYR 269 Cb 0.54 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 2bjk h TYR 269 CO 0.04 0.87 -0.04 1.49 -1.32 0.00 0.00 178.16 179.20 2bjk h GLU 270 N 0.94 0.44 -0.66 1.82 4.81 -1.20 -2.80 114.58 117.92 2bjk h GLU 270 Ca 0.19 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2bjk h GLU 270 Cb 0.38 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2bjk h GLU 270 CO 0.01 0.66 0.26 0.00 -0.73 0.00 0.00 179.01 179.21 2bjk h ALA 271 N 0.77 1.21 0.00 2.92 0.00 -0.95 -2.20 119.26 121.01 2bjk h ALA 271 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2bjk h ALA 271 Cb 0.48 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bjk h ALA 271 CO 0.02 0.57 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 2bjk h ALA 272 N 1.33 1.30 0.00 0.00 0.00 -0.87 -2.02 119.26 119.00 2bjk h ALA 272 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bjk h ALA 272 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bjk h ALA 272 CO -0.02 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2bjk n GLY 273 N -0.75 -1.48 3.86 0.00 0.00 -0.83 -4.22 105.19 101.77 2bjk n GLY 273 Ca -0.02 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2bjk n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bjk s ARG 274 N -3.01 3.89 -0.55 1.61 0.52 -0.76 -5.02 118.95 115.63 2bjk s ARG 274 Ca 0.13 0.38 -0.19 0.00 -0.52 0.00 0.00 55.73 55.53 2bjk s ARG 274 Cb 0.18 -2.81 0.07 0.00 0.52 0.00 0.00 34.95 32.91 2bjk s ARG 274 CO 0.52 0.41 0.68 -1.17 0.02 0.00 0.00 175.30 175.76 2bjk s LEU 275 N -2.32 5.07 0.71 2.53 2.96 -1.26 -4.90 118.68 121.47 2bjk s LEU 275 Ca 0.42 -1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.08 2bjk s LEU 275 Cb -0.13 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2bjk s LEU 275 CO 0.20 -1.01 1.16 0.00 -1.32 0.00 0.00 176.35 175.39 2bjk s ALA 276 N 2.75 2.25 -0.06 5.97 0.00 -1.26 -4.87 121.76 126.54 2bjk s ALA 276 Ca 0.14 0.73 -0.35 0.00 0.00 0.00 0.00 51.96 52.48 2bjk s ALA 276 Cb -0.21 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 2bjk s ALA 276 CO 0.10 -1.65 1.79 -2.30 0.00 0.00 0.00 175.76 173.70 2bjk n PRO 277 N -2.64 2.02 -0.40 0.00 -0.02 -1.26 -1.05 135.00 131.65 2bjk n PRO 277 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2bjk n PRO 277 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2bjk n PRO 277 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjk n GLY 278 N 4.13 1.24 3.76 -1.23 0.00 -1.26 -4.76 105.19 107.07 2bjk n GLY 278 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2bjk n GLY 278 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bjk s GLN 279 N -0.35 4.33 -0.23 1.61 0.74 -0.22 -4.96 119.66 120.58 2bjk s GLN 279 Ca 0.00 2.23 0.10 0.00 0.05 0.00 0.00 55.36 57.74 2bjk s GLN 279 Cb 0.00 -3.10 0.43 0.00 1.10 0.00 0.00 33.01 31.44 2bjk s GLN 279 CO 0.00 -0.28 1.23 0.25 -0.55 0.00 0.00 175.29 175.95 2bjk n THR 280 N 1.50 2.27 -3.75 -0.34 -2.24 -1.26 -4.91 114.28 105.56 2bjk n THR 280 Ca 0.03 -3.34 -0.06 0.00 -2.27 0.00 0.00 64.05 58.41 2bjk n THR 280 Cb 0.41 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 2bjk n THR 280 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2bjk s TRP 281 N -3.29 -0.22 -0.35 4.78 -2.14 -1.26 -5.11 118.94 111.35 2bjk s TRP 281 Ca 0.40 -0.14 -0.17 0.00 2.66 0.00 0.00 56.10 58.86 2bjk s TRP 281 Cb 0.38 0.66 -0.01 0.00 -3.10 0.00 0.00 33.47 31.40 2bjk s TRP 281 CO -0.05 -1.00 0.44 -0.06 -2.66 0.00 0.00 176.95 173.62 2bjk s PHE 282 N -3.62 3.19 0.45 1.66 0.40 -1.26 -4.98 117.98 113.81 2bjk s PHE 282 Ca 0.10 0.06 -0.25 0.00 -0.60 0.00 0.00 56.93 56.25 2bjk s PHE 282 Cb -0.03 -2.81 -0.08 0.00 0.51 0.00 0.00 43.02 40.61 2bjk s PHE 282 CO 0.02 -0.50 1.32 0.15 0.70 0.00 0.00 175.22 176.91 2bjk s LYS 283 N 2.22 3.73 -0.17 0.44 1.02 -1.26 -5.01 119.74 120.71 2bjk s LYS 283 Ca 0.15 2.17 -0.07 0.00 0.02 0.00 0.00 55.97 58.24 2bjk s LYS 283 Cb -0.16 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2bjk s LYS 283 CO 0.13 -0.69 0.08 1.03 -0.92 0.00 0.00 175.35 174.98 2bjk s ARG 284 N -2.47 3.84 -0.09 1.68 0.52 -1.17 -4.86 118.95 116.41 2bjk s ARG 284 Ca 0.61 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 55.54 2bjk s ARG 284 Cb -0.38 -3.22 0.02 0.00 0.52 0.00 0.00 34.95 31.89 2bjk s ARG 284 CO 0.48 0.41 -0.06 0.00 0.02 0.00 0.00 175.30 176.15 2bjk s ALA 285 N 0.01 1.11 -0.23 2.13 0.00 -1.26 -0.66 121.76 122.85 2bjk s ALA 285 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2bjk s ALA 285 Cb -0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 2bjk s ALA 285 CO 0.00 -0.29 -0.02 0.71 0.00 0.00 0.00 175.76 176.16 2bjk s TYR 286 N 1.50 2.99 -0.17 0.00 1.51 -0.06 -4.98 117.35 118.14 2bjk s TYR 286 Ca -0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.17 2bjk s TYR 286 Cb -0.13 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2bjk s TYR 286 CO -0.05 -0.53 -0.08 0.14 -1.11 0.00 0.00 175.55 173.92 2bjk s VAL 287 N 1.49 1.33 -0.34 0.71 -7.23 -1.26 -0.43 120.40 114.67 2bjk s VAL 287 Ca 0.06 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 2bjk s VAL 287 Cb -0.15 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.41 2bjk s VAL 287 CO -0.02 0.21 0.12 -1.61 -0.31 0.00 0.00 175.10 173.49 2bjk s GLU 288 N 1.55 2.66 -0.38 4.82 0.41 -0.49 -1.24 118.70 126.02 2bjk s GLU 288 Ca 0.01 -1.16 0.05 0.00 -0.41 0.00 0.00 54.97 53.46 2bjk s GLU 288 Cb -0.15 -3.50 0.47 0.00 -1.78 0.00 0.00 34.13 29.17 2bjk s GLU 288 CO -0.08 -0.67 1.46 0.25 -0.49 0.00 0.00 175.26 175.73 2bjk n THR 289 N 4.84 2.81 -4.00 3.63 -2.24 -0.38 -1.74 114.28 117.20 2bjk n THR 289 Ca -0.12 -3.60 0.00 0.00 -2.27 0.00 0.00 64.05 58.06 2bjk n THR 289 Cb 0.45 -0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2bjk n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bjk n GLY 290 N -0.85 -1.96 1.37 3.38 0.00 -1.25 -3.48 105.19 102.40 2bjk n GLY 290 Ca 0.46 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 2bjk n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjk n GLY 291 N -0.05 1.11 2.33 -0.02 0.00 -1.24 -4.21 105.19 103.11 2bjk n GLY 291 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 2bjk n GLY 291 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bjk n LYS 292 N -0.25 0.69 -2.57 1.61 3.00 -1.26 -4.63 118.16 114.74 2bjk n LYS 292 Ca -0.01 -3.37 -0.41 0.00 -0.00 0.00 0.00 58.31 54.52 2bjk n LYS 292 Cb 0.21 -1.53 -0.04 0.00 0.00 0.00 0.00 35.03 33.67 2bjk n LYS 292 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bjk s ASP 293 N -0.79 7.30 0.13 3.14 1.01 -1.26 -4.85 116.67 121.36 2bjk s ASP 293 Ca 0.34 1.97 0.10 0.00 0.71 0.00 0.00 52.55 55.67 2bjk s ASP 293 Cb 0.10 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2bjk s ASP 293 CO -0.14 -0.22 -0.19 0.00 0.21 0.00 0.00 175.17 174.82 2bjk s ALA 294 N 0.09 2.64 -0.14 5.23 0.00 -1.25 -1.06 121.76 127.27 2bjk s ALA 294 Ca 0.50 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2bjk s ALA 294 Cb -0.27 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2bjk s ALA 294 CO 0.32 0.56 -0.19 0.42 0.00 0.00 0.00 175.76 176.87 2bjk s ILE 295 N -1.23 2.31 -0.13 0.00 1.01 -0.51 -1.15 121.20 121.51 2bjk s ILE 295 Ca 0.18 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 2bjk s ILE 295 Cb -0.10 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2bjk s ILE 295 CO 0.10 0.54 0.18 -0.63 0.00 0.00 0.00 174.94 175.12 2bjk s ILE 296 N 0.80 5.43 -0.07 2.92 1.01 0.24 -0.73 121.20 130.80 2bjk s ILE 296 Ca -0.07 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.89 2bjk s ILE 296 Cb -0.15 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.87 2bjk s ILE 296 CO -0.01 0.57 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 2bjk s VAL 297 N -0.67 0.88 0.52 2.92 1.01 -0.44 -0.66 120.40 123.97 2bjk s VAL 297 Ca 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2bjk s VAL 297 Cb -0.12 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.43 2bjk s VAL 297 CO 0.04 0.31 0.50 1.51 0.00 0.00 0.00 175.10 177.46 2bjk s ASP 298 N 1.07 4.84 0.00 3.32 1.47 -1.04 -2.45 116.67 123.89 2bjk s ASP 298 Ca -0.08 -1.04 0.10 0.00 1.18 0.00 0.00 52.55 52.72 2bjk s ASP 298 Cb -0.14 0.18 0.47 0.00 -0.34 0.00 0.00 42.92 43.09 2bjk s ASP 298 CO -0.01 -1.07 1.30 -1.84 0.68 0.00 0.00 175.17 174.23 2bjk n GLU 299 N -1.84 0.05 0.00 2.11 0.28 -1.26 -2.50 120.64 117.47 2bjk n GLU 299 Ca 0.04 0.28 0.12 0.00 -0.16 0.00 0.00 57.16 57.44 2bjk n GLU 299 Cb 0.63 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.18 2bjk n GLU 299 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2bjk n THR 300 N -1.43 0.00 -1.26 3.84 -2.24 -1.26 -4.91 114.28 107.02 2bjk n THR 300 Ca 0.03 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 2bjk n THR 300 Cb 0.11 0.75 0.12 0.00 -2.10 0.00 0.00 70.33 69.20 2bjk n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bjk s ALA 301 N -2.60 1.87 -0.66 6.98 0.00 -1.04 -3.71 121.76 122.61 2bjk s ALA 301 Ca 0.19 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 2bjk s ALA 301 Cb 0.18 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.14 2bjk s ALA 301 CO 0.59 -2.07 1.06 0.34 0.00 0.00 0.00 175.76 175.68 2bjk s ASP 302 N -3.45 6.22 0.37 0.00 3.68 -1.26 -4.90 116.67 117.33 2bjk s ASP 302 Ca 0.62 -0.65 0.06 0.00 2.13 0.00 0.00 52.55 54.71 2bjk s ASP 302 Cb -0.17 -2.47 0.75 0.00 -1.45 0.00 0.00 42.92 39.58 2bjk s ASP 302 CO 0.56 -1.51 1.99 -0.26 0.13 0.00 0.00 175.17 176.08 2bjk h PHE 303 N 9.64 0.71 -0.29 -5.34 0.05 -1.94 0.26 116.94 120.03 2bjk h PHE 303 Ca -0.28 0.02 -0.17 0.00 3.82 0.00 0.00 57.97 61.36 2bjk h PHE 303 Cb 1.06 -0.24 -0.00 0.00 2.00 0.00 0.00 35.95 38.78 2bjk h PHE 303 CO 1.00 0.41 -0.48 -0.44 -0.18 0.00 0.00 178.31 178.62 2bjk h ASP 304 N 0.73 0.92 -0.46 2.17 3.32 -1.95 -0.71 116.42 120.44 2bjk h ASP 304 Ca 0.27 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2bjk h ASP 304 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2bjk h ASP 304 CO -0.08 1.27 0.13 0.25 -1.72 0.00 0.00 179.24 179.09 2bjk h LEU 305 N 0.61 0.69 -0.17 1.55 5.85 -1.86 -2.33 115.31 119.64 2bjk h LEU 305 Ca 0.02 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2bjk h LEU 305 Cb 1.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2bjk h LEU 305 CO 0.11 0.73 0.09 0.00 -0.34 0.00 0.00 178.44 179.03 2bjk h ALA 306 N 0.99 0.22 -0.83 1.25 0.00 -0.88 -1.77 119.26 118.24 2bjk h ALA 306 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2bjk h ALA 306 Cb 0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2bjk h ALA 306 CO -0.00 -0.23 0.53 0.00 0.00 0.00 0.00 179.25 179.55 2bjk h ALA 307 N 0.97 1.11 -0.33 0.00 0.00 -1.03 0.66 119.26 120.65 2bjk h ALA 307 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bjk h ALA 307 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2bjk h ALA 307 CO -0.01 0.34 0.10 1.49 0.00 0.00 0.00 179.25 181.18 2bjk h GLU 308 N 1.02 0.51 -0.33 0.00 4.22 -1.25 -1.41 114.58 117.33 2bjk h GLU 308 Ca 0.34 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.59 2bjk h GLU 308 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2bjk h GLU 308 CO -0.13 0.54 -0.12 0.78 -2.18 0.00 0.00 179.01 177.91 2bjk h GLY 309 N 0.37 0.61 0.86 1.92 0.00 -0.83 -1.60 103.07 104.40 2bjk h GLY 309 Ca 0.11 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2bjk h GLY 309 CO -0.00 0.40 -0.05 -2.08 0.00 0.00 0.00 176.54 174.80 2bjk h VAL 310 N 0.52 1.28 -0.59 4.60 2.07 -0.69 -0.77 116.25 122.67 2bjk h VAL 310 Ca 0.09 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2bjk h VAL 310 Cb 0.51 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2bjk h VAL 310 CO 0.03 0.33 0.23 0.58 0.02 0.00 0.00 177.57 178.76 2bjk h VAL 311 N 0.27 1.23 -0.37 2.57 2.07 -1.04 0.12 116.25 121.10 2bjk h VAL 311 Ca 0.07 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2bjk h VAL 311 Cb 0.52 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2bjk h VAL 311 CO 0.02 0.28 0.15 0.58 0.02 0.00 0.00 177.57 178.62 2bjk h VAL 312 N 0.82 1.19 -0.28 2.57 2.07 -1.25 -1.28 116.25 120.08 2bjk h VAL 312 Ca 0.20 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 2bjk h VAL 312 Cb 0.21 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2bjk h VAL 312 CO -0.01 0.21 -0.23 0.28 0.02 0.00 0.00 177.57 177.83 2bjk h SER 313 N 0.45 0.53 0.48 0.57 0.02 -0.85 -1.48 113.55 113.26 2bjk h SER 313 Ca 0.12 -0.18 -0.30 0.00 -0.84 0.00 0.00 61.79 60.60 2bjk h SER 313 Cb 0.18 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2bjk h SER 313 CO -0.01 0.76 -1.48 0.00 -1.14 0.00 0.00 176.83 174.96 2bjk h ALA 314 N 1.29 0.22 -0.01 3.77 0.00 -0.69 -1.50 119.26 122.34 2bjk h ALA 314 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2bjk h ALA 314 Cb 0.66 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2bjk h ALA 314 CO 0.05 1.09 -0.22 0.66 0.00 0.00 0.00 179.25 180.83 2bjk n TYR 315 N -3.48 0.00 -1.72 0.00 4.01 -0.49 -3.45 117.16 112.03 2bjk n TYR 315 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.16 2bjk n TYR 315 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.05 2bjk n TYR 315 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bjk n GLY 316 N 0.92 1.21 4.13 2.72 0.00 -0.56 -0.91 105.19 112.71 2bjk n GLY 316 Ca 0.05 0.49 -0.34 0.00 0.00 0.00 0.00 46.02 46.22 2bjk n GLY 316 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2bjk n PHE 317 N 2.30 -1.85 -2.23 1.61 7.35 -1.26 -1.40 117.46 121.98 2bjk n PHE 317 Ca 0.10 0.82 -0.18 0.00 -0.76 0.00 0.00 57.45 57.43 2bjk n PHE 317 Cb 0.35 -3.24 -0.02 0.00 0.35 0.00 0.00 39.48 36.91 2bjk n PHE 317 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2bjk n GLN 318 N -4.45 -1.77 -1.01 -4.13 3.00 -0.09 -1.22 117.38 107.72 2bjk n GLN 318 Ca 0.03 0.91 -0.00 0.00 -0.01 0.00 0.00 57.00 57.92 2bjk n GLN 318 Cb 0.52 -5.49 -0.00 0.00 0.00 0.00 0.00 30.24 25.27 2bjk n GLN 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bjk n GLY 319 N -0.82 0.37 2.44 1.08 0.00 -0.49 -1.17 105.19 106.59 2bjk n GLY 319 Ca -0.21 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2bjk n GLY 319 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bjk n GLN 320 N -1.74 3.79 -4.19 1.61 6.02 -0.35 -3.58 117.38 118.93 2bjk n GLN 320 Ca -0.00 -2.91 -0.16 0.00 -0.01 0.00 0.00 57.00 53.92 2bjk n GLN 320 Cb 0.17 -2.48 -0.14 0.00 1.02 0.00 0.00 30.24 28.80 2bjk n GLN 320 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bjk s LYS 321 N -0.86 0.52 0.59 -1.09 1.02 -1.26 -4.86 119.74 113.81 2bjk s LYS 321 Ca 0.58 -0.33 0.37 0.00 0.02 0.00 0.00 55.97 56.61 2bjk s LYS 321 Cb 0.24 -0.47 1.76 0.00 -0.52 0.00 0.00 37.83 38.84 2bjk s LYS 321 CO -0.12 0.12 2.13 0.00 -0.92 0.00 0.00 175.35 176.57 2bjk n SER 323 N -3.11 2.06 -4.74 0.00 3.41 -1.26 -3.64 113.62 106.32 2bjk n SER 323 Ca -0.01 -1.53 -0.42 0.00 -0.26 0.00 0.00 58.87 56.65 2bjk n SER 323 Cb 0.22 0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2bjk n SER 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bjk n ALA 324 N 0.24 1.92 -2.39 7.33 0.00 -0.87 -4.42 120.51 122.32 2bjk n ALA 324 Ca 0.12 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.47 2bjk n ALA 324 Cb 0.47 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 2bjk n ALA 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bjk s ALA 325 N -1.12 2.99 -1.08 0.00 0.00 -0.56 -4.01 121.76 117.97 2bjk s ALA 325 Ca 0.55 -0.34 0.13 0.00 0.00 0.00 0.00 51.96 52.30 2bjk s ALA 325 Cb -0.51 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 18.59 2bjk s ALA 325 CO 0.63 -2.54 0.71 -1.13 0.00 0.00 0.00 175.76 173.43 2bjk n SER 326 N 8.93 1.25 -4.00 0.00 3.41 -0.22 -4.01 113.62 118.97 2bjk n SER 326 Ca 0.15 -1.12 -0.21 0.00 -0.26 0.00 0.00 58.87 57.43 2bjk n SER 326 Cb 0.48 0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 64.87 2bjk n SER 326 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bjk s ARG 327 N -1.80 1.06 -0.25 4.33 0.52 -0.76 -1.18 118.95 120.87 2bjk s ARG 327 Ca 0.10 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 2bjk s ARG 327 Cb 0.11 -0.97 0.06 0.00 0.52 0.00 0.00 34.95 34.67 2bjk s ARG 327 CO 0.38 0.10 -0.08 -1.17 0.02 0.00 0.00 175.30 174.55 2bjk s LEU 328 N 0.29 3.13 -0.36 2.53 2.96 0.12 -1.43 118.68 125.92 2bjk s LEU 328 Ca -0.05 -1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 52.40 2bjk s LEU 328 Cb -0.10 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.19 2bjk s LEU 328 CO 0.01 -0.21 0.24 -0.63 -1.32 0.00 0.00 176.35 174.44 2bjk s ILE 329 N 1.21 5.14 -0.13 6.68 1.01 0.10 -0.61 121.20 134.60 2bjk s ILE 329 Ca -0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2bjk s ILE 329 Cb -0.20 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2bjk s ILE 329 CO -0.06 -0.11 -0.12 -0.76 0.00 0.00 0.00 174.94 173.89 2bjk s LEU 330 N 1.68 2.77 0.79 2.97 1.43 -0.29 -1.33 118.68 126.71 2bjk s LEU 330 Ca 0.05 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2bjk s LEU 330 Cb -0.18 -1.63 0.07 0.00 0.03 0.00 0.00 46.19 44.48 2bjk s LEU 330 CO 0.10 0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.35 2bjk s THR 331 N 0.33 3.25 0.24 5.49 -4.23 -1.03 -1.02 115.64 118.66 2bjk s THR 331 Ca -0.10 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 2bjk s THR 331 Cb -0.16 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.87 2bjk s THR 331 CO 0.05 -0.53 1.68 -0.61 -0.54 0.00 0.00 174.62 174.68 2bjk h GLN 332 N -1.12 0.24 0.00 3.99 5.75 -0.95 -0.45 115.11 122.58 2bjk h GLN 332 Ca -0.46 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2bjk h GLN 332 Cb 1.25 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2bjk h GLN 332 CO 0.56 0.16 0.00 0.78 -2.65 0.00 0.00 178.83 177.68 2bjk h GLY 333 N 0.25 0.00 0.04 2.39 0.00 -1.89 -3.06 103.07 100.80 2bjk h GLY 333 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2bjk h GLY 333 CO -0.50 0.00 -1.43 0.00 0.00 0.00 0.00 176.54 174.61 2bjk n ALA 334 N -2.09 3.84 0.02 3.60 0.00 -0.31 -4.68 120.51 120.89 2bjk n ALA 334 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 2bjk n ALA 334 Cb 0.28 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2bjk n ALA 334 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2bjk h TYR 335 N 0.00 -0.52 0.10 0.00 3.20 -1.10 -1.00 116.97 117.66 2bjk h TYR 335 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2bjk h TYR 335 Cb 0.73 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2bjk h TYR 335 CO 0.00 -0.19 -0.05 1.49 -1.64 0.00 0.00 178.16 177.77 2bjk h GLU 336 N -0.22 -0.14 -0.43 1.82 4.22 -1.85 -0.96 114.58 117.03 2bjk h GLU 336 Ca 0.00 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.51 2bjk h GLU 336 Cb 0.24 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2bjk h GLU 336 CO -0.12 -0.04 0.14 -1.35 -2.18 0.00 0.00 179.01 175.46 2bjk h PRO 337 N -0.20 0.29 -0.07 0.92 0.11 -1.83 -1.67 132.00 129.56 2bjk h PRO 337 Ca -0.01 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 2bjk h PRO 337 Cb 0.16 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.21 2bjk h PRO 337 CO 0.02 0.19 -0.43 0.28 -0.21 0.00 0.00 178.00 177.85 2bjk h VAL 338 N 0.30 1.41 -0.72 3.15 2.07 -1.18 -2.99 116.25 118.29 2bjk h VAL 338 Ca 0.20 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 2bjk h VAL 338 Cb 0.21 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 2bjk h VAL 338 CO -0.22 0.54 0.41 0.25 0.02 0.00 0.00 177.57 178.57 2bjk h LEU 339 N -0.05 0.88 -0.75 2.57 5.85 -1.12 0.82 115.31 123.51 2bjk h LEU 339 Ca -0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2bjk h LEU 339 Cb 1.10 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2bjk h LEU 339 CO 0.09 0.71 0.42 1.05 -0.34 0.00 0.00 178.44 180.37 2bjk h GLU 340 N 0.98 1.03 -0.42 1.25 -0.00 -1.38 -0.54 114.58 115.51 2bjk h GLU 340 Ca 0.25 -0.11 -0.13 0.00 -0.00 0.00 0.00 59.36 59.37 2bjk h GLU 340 Cb 0.01 -0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 28.54 2bjk h GLU 340 CO -0.04 0.76 -0.25 0.00 -0.00 0.00 0.00 179.01 179.47 2bjk h ARG 341 N 1.03 0.89 -0.46 1.06 3.08 -1.28 -1.93 114.38 116.77 2bjk h ARG 341 Ca 0.26 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2bjk h ARG 341 Cb 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2bjk h ARG 341 CO -0.05 1.04 0.10 0.28 -1.07 0.00 0.00 179.97 180.27 2bjk h VAL 342 N 0.76 1.24 -0.65 2.04 2.07 -0.49 -2.00 116.25 119.21 2bjk h VAL 342 Ca 0.09 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2bjk h VAL 342 Cb 0.81 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2bjk h VAL 342 CO 0.07 0.31 0.18 -0.07 0.02 0.00 0.00 177.57 178.08 2bjk h LEU 343 N 0.63 0.97 -0.66 2.57 3.38 -1.01 0.30 115.31 121.48 2bjk h LEU 343 Ca 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2bjk h LEU 343 Cb 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2bjk h LEU 343 CO 0.01 0.93 0.29 0.50 0.09 0.00 0.00 178.44 180.26 2bjk h LYS 344 N 0.96 0.97 -0.14 1.13 3.64 -1.22 -1.47 116.57 120.44 2bjk h LYS 344 Ca 0.21 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 2bjk h LYS 344 Cb 0.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2bjk h LYS 344 CO -0.00 0.79 -0.38 0.00 -2.27 0.00 0.00 179.45 177.58 2bjk h ARG 345 N 0.92 0.50 -0.47 1.90 3.08 -1.18 -3.28 114.38 115.84 2bjk h ARG 345 Ca 0.22 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2bjk h ARG 345 Cb 0.17 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2bjk h ARG 345 CO -0.02 0.98 0.14 0.00 -1.07 0.00 0.00 179.97 179.99 2bjk h ALA 346 N 0.53 1.35 0.00 0.04 0.00 -0.84 -2.39 119.26 117.95 2bjk h ALA 346 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bjk h ALA 346 Cb 1.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2bjk h ALA 346 CO 0.08 0.47 0.00 -0.85 0.00 0.00 0.00 179.25 178.95 2bjk n GLU 347 N -4.31 0.05 0.00 0.00 0.28 -0.56 -2.29 120.64 113.80 2bjk n GLU 347 Ca 0.03 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.43 2bjk n GLU 347 Cb 0.19 -1.59 0.21 0.00 1.43 0.00 0.00 31.44 31.69 2bjk n GLU 347 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2bjk n ARG 348 N -1.67 1.85 -2.24 3.44 1.74 -0.90 -4.95 116.66 113.93 2bjk n ARG 348 Ca 0.03 -1.41 -0.42 0.00 -0.77 0.00 0.00 57.85 55.29 2bjk n ARG 348 Cb 0.20 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 2bjk n ARG 348 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bjk s LEU 349 N -2.12 4.40 0.23 0.55 1.43 -0.97 -5.01 118.68 117.18 2bjk s LEU 349 Ca 0.29 2.32 -0.16 0.00 -1.03 0.00 0.00 54.13 55.54 2bjk s LEU 349 Cb 0.20 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 2bjk s LEU 349 CO 0.37 -0.55 0.67 -0.94 0.23 0.00 0.00 176.35 176.13 2bjk s SER 350 N 0.69 6.89 -0.05 2.29 1.04 -1.26 -4.97 113.70 118.32 2bjk s SER 350 Ca 0.59 1.25 0.01 0.00 0.48 0.00 0.00 55.95 58.29 2bjk s SER 350 Cb -0.35 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.43 2bjk s SER 350 CO 0.34 -0.02 -0.06 -0.69 0.98 0.00 0.00 173.24 173.79 2bjk s VAL 351 N -1.65 0.68 -0.32 5.02 1.01 -1.26 -1.02 120.40 122.87 2bjk s VAL 351 Ca 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2bjk s VAL 351 Cb -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2bjk s VAL 351 CO 0.20 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2bjk n GLY 352 N 4.07 -1.24 3.63 4.51 0.00 -0.68 -5.00 105.19 110.48 2bjk n GLY 352 Ca -0.23 -0.87 -0.49 0.00 0.00 0.00 0.00 46.02 44.43 2bjk n GLY 352 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bjk n PRO 353 N -0.01 1.61 -0.21 1.61 -0.02 -1.26 -4.19 135.00 132.52 2bjk n PRO 353 Ca 0.00 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.21 2bjk n PRO 353 Cb 0.00 -2.26 0.48 0.00 -0.02 0.00 0.00 33.50 31.70 2bjk n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bjk h ALA 354 N 4.94 2.07 0.00 3.55 0.00 -1.86 -0.80 119.26 127.16 2bjk h ALA 354 Ca -0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bjk h ALA 354 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bjk h ALA 354 CO 0.81 -0.30 -0.01 1.05 0.00 0.00 0.00 179.25 180.80 2bjk h GLU 355 N 0.48 0.00 -0.00 0.00 4.11 -1.86 -0.29 114.58 117.03 2bjk h GLU 355 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 2bjk h GLU 355 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2bjk h GLU 355 CO -0.15 0.01 -0.00 0.39 0.07 0.00 0.00 179.01 179.33 2bjk n GLU 356 N -3.65 0.99 -3.56 1.06 -0.58 -0.31 -4.93 120.64 109.66 2bjk n GLU 356 Ca -0.03 -0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.44 2bjk n GLU 356 Cb 0.10 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.52 2bjk n GLU 356 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2bjk n ASN 357 N -0.94 -2.25 -4.66 1.62 5.15 -0.12 -5.00 115.26 109.05 2bjk n ASN 357 Ca 0.23 -0.75 -0.29 0.00 -0.60 0.00 0.00 54.58 53.16 2bjk n ASN 357 Cb 0.14 -4.50 0.13 0.00 -0.53 0.00 0.00 39.78 35.02 2bjk n ASN 357 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2bjk s PRO 358 N -5.61 1.27 0.22 1.20 0.04 -1.26 -4.88 135.00 125.99 2bjk s PRO 358 Ca 0.07 0.07 -0.05 0.00 0.04 0.00 0.00 61.00 61.14 2bjk s PRO 358 Cb -0.02 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.86 2bjk s PRO 358 CO 0.78 -2.07 1.67 -0.44 0.04 0.00 0.00 177.00 176.98 2bjk h ASP 359 N -1.40 0.84 -3.61 6.66 3.32 -1.86 -3.43 116.42 116.94 2bjk h ASP 359 Ca -0.47 -0.26 -0.46 0.00 0.02 0.00 0.00 57.03 55.86 2bjk h ASP 359 Cb 1.31 -0.23 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 2bjk h ASP 359 CO 0.58 0.96 -0.79 -0.76 -1.72 0.00 0.00 179.24 177.51 2bjk s LEU 360 N -9.07 1.64 0.00 1.55 1.02 -0.19 -4.69 118.68 108.94 2bjk s LEU 360 Ca -0.10 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 53.84 2bjk s LEU 360 Cb 0.14 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.72 2bjk s LEU 360 CO 0.83 0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.84 2bjk n GLY 361 N 3.63 1.21 3.93 -3.19 0.00 -1.26 -1.68 105.19 107.83 2bjk n GLY 361 Ca -0.22 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 2bjk n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bjk s PRO 362 N 2.24 2.93 0.76 1.61 0.04 -1.26 -4.68 135.00 136.64 2bjk s PRO 362 Ca 0.00 -0.25 -0.11 0.00 0.04 0.00 0.00 61.00 60.68 2bjk s PRO 362 Cb 0.00 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.20 2bjk s PRO 362 CO 0.00 -0.56 1.09 0.14 0.04 0.00 0.00 177.00 177.71 2bjk s VAL 363 N -2.82 3.33 0.43 -0.36 -7.23 0.27 -4.80 120.40 109.22 2bjk s VAL 363 Ca 0.52 0.43 0.19 0.00 -1.81 0.00 0.00 61.98 61.31 2bjk s VAL 363 Cb -0.10 -3.22 0.22 0.00 0.56 0.00 0.00 36.38 33.84 2bjk s VAL 363 CO 0.42 -0.56 2.01 1.62 -0.31 0.00 0.00 175.10 178.28 2bjk h VAL 364 N -0.95 0.93 -3.26 1.32 3.04 -1.89 -3.42 116.25 112.02 2bjk h VAL 364 Ca -0.46 -0.64 0.01 0.00 -1.01 0.00 0.00 66.70 64.60 2bjk h VAL 364 Cb 1.25 1.36 -0.06 0.00 -2.01 0.00 0.00 31.29 31.84 2bjk h VAL 364 CO 0.60 0.17 0.10 -0.94 -1.01 0.00 0.00 177.57 176.48 2bjk s SER 365 N -6.67 -0.14 0.25 3.17 1.04 -1.26 -4.61 113.70 105.49 2bjk s SER 365 Ca -0.03 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 2bjk s SER 365 Cb 0.15 0.69 0.30 0.00 0.10 0.00 0.00 66.02 67.25 2bjk s SER 365 CO 0.66 -1.31 1.81 0.00 0.98 0.00 0.00 173.24 175.38 2bjk h ALA 366 N 2.09 1.15 -0.48 5.32 0.00 -1.98 -0.40 119.26 124.95 2bjk h ALA 366 Ca -0.23 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2bjk h ALA 366 Cb 1.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2bjk h ALA 366 CO 0.29 0.60 -0.23 1.49 0.00 0.00 0.00 179.25 181.41 2bjk h GLU 367 N 0.98 1.01 -0.63 0.00 4.57 -1.99 -0.70 114.58 117.81 2bjk h GLU 367 Ca 0.22 -0.44 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 2bjk h GLU 367 Cb 0.24 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2bjk h GLU 367 CO -0.01 1.12 0.07 1.96 -1.18 0.00 0.00 179.01 180.96 2bjk h GLN 368 N 0.86 1.07 -0.41 1.92 1.08 -1.87 -1.38 115.11 116.38 2bjk h GLN 368 Ca 0.11 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2bjk h GLN 368 Cb 0.81 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 2bjk h GLN 368 CO 0.07 1.00 0.26 1.49 -0.95 0.00 0.00 178.83 180.70 2bjk h GLU 369 N 0.99 0.54 -0.64 1.46 4.81 -0.82 -0.86 114.58 120.06 2bjk h GLU 369 Ca 0.19 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2bjk h GLU 369 Cb 0.47 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2bjk h GLU 369 CO 0.02 0.38 0.41 -0.09 -0.73 0.00 0.00 179.01 179.00 2bjk h ARG 370 N 0.54 0.85 -0.31 1.92 2.43 -0.83 -0.97 114.38 118.01 2bjk h ARG 370 Ca 0.15 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2bjk h ARG 370 Cb -0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2bjk h ARG 370 CO -0.03 0.57 0.09 0.87 -1.51 0.00 0.00 179.97 179.96 2bjk h LYS 371 N 0.87 0.49 -0.45 0.20 1.57 -0.90 -0.35 116.57 117.99 2bjk h LYS 371 Ca 0.23 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2bjk h LYS 371 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2bjk h LYS 371 CO -0.05 0.55 0.16 0.28 -0.57 0.00 0.00 179.45 179.82 2bjk h VAL 372 N 0.35 1.21 -0.31 0.50 2.07 -1.00 -1.16 116.25 117.91 2bjk h VAL 372 Ca 0.10 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2bjk h VAL 372 Cb 0.27 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2bjk h VAL 372 CO -0.00 0.25 -0.00 -0.07 0.02 0.00 0.00 177.57 177.77 2bjk h LEU 373 N 0.59 0.44 -0.51 2.57 3.38 -1.08 -1.22 115.31 119.48 2bjk h LEU 373 Ca 0.15 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2bjk h LEU 373 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2bjk h LEU 373 CO -0.01 0.51 0.01 -1.28 0.09 0.00 0.00 178.44 177.77 2bjk h SER 374 N 0.46 0.88 0.27 -0.43 0.87 -0.55 -2.12 113.55 112.93 2bjk h SER 374 Ca 0.10 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.29 2bjk h SER 374 Cb 0.31 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2bjk h SER 374 CO 0.01 0.96 -0.32 1.88 -0.53 0.00 0.00 176.83 178.83 2bjk h TYR 375 N 0.77 0.09 -0.54 2.24 0.05 -0.69 -1.79 116.97 117.10 2bjk h TYR 375 Ca 0.15 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 2bjk h TYR 375 Cb 0.51 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 2bjk h TYR 375 CO 0.04 0.40 -0.09 0.82 -1.05 0.00 0.00 178.16 178.28 2bjk h ILE 376 N 0.07 1.27 -0.51 -2.88 2.04 -0.85 0.12 117.51 116.77 2bjk h ILE 376 Ca 0.01 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 2bjk h ILE 376 Cb 0.61 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2bjk h ILE 376 CO 0.04 0.44 -0.02 -0.33 0.00 0.00 0.00 178.15 178.28 2bjk h GLU 377 N 0.90 0.87 -0.43 2.37 4.39 -0.89 -1.60 114.58 120.19 2bjk h GLU 377 Ca 0.14 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 2bjk h GLU 377 Cb 0.64 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2bjk h GLU 377 CO 0.04 0.88 0.01 0.82 -1.16 0.00 0.00 179.01 179.61 2bjk h ILE 378 N 0.80 1.26 -0.40 3.13 2.04 -1.06 -2.99 117.51 120.29 2bjk h ILE 378 Ca 0.15 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2bjk h ILE 378 Cb 0.51 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2bjk h ILE 378 CO 0.03 0.34 0.25 1.23 0.00 0.00 0.00 178.15 180.00 2bjk h GLY 379 N 0.58 0.57 2.00 5.37 0.00 -0.30 -1.95 103.07 109.34 2bjk h GLY 379 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2bjk h GLY 379 CO 0.02 0.22 -0.02 0.50 0.00 0.00 0.00 176.54 177.25 2bjk h LYS 380 N 0.55 0.00 -0.40 4.80 1.57 -1.15 0.10 116.57 122.05 2bjk h LYS 380 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2bjk h LYS 380 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2bjk h LYS 380 CO -0.03 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2bjk n ASN 381 N -3.49 3.36 -0.01 0.86 5.03 -0.74 -4.50 115.26 115.76 2bjk n ASN 381 Ca -0.03 -1.95 -0.02 0.00 0.87 0.00 0.00 54.58 53.45 2bjk n ASN 381 Cb 0.12 -0.26 -0.01 0.00 -1.02 0.00 0.00 39.78 38.62 2bjk n ASN 381 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bjk n GLU 382 N 1.34 0.06 -1.34 3.52 1.02 -0.41 -5.11 120.64 119.72 2bjk n GLU 382 Ca 0.18 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2bjk n GLU 382 Cb 0.56 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 2bjk n GLU 382 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bjk n GLY 383 N 3.24 5.01 3.35 0.62 0.00 0.22 -4.48 105.19 113.15 2bjk n GLY 383 Ca -0.04 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 2bjk n GLY 383 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bjk s GLN 384 N -1.01 3.16 -0.08 1.61 0.74 -0.39 -4.61 119.66 119.08 2bjk s GLN 384 Ca 0.00 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 2bjk s GLN 384 Cb 0.00 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 2bjk s GLN 384 CO 0.00 -0.41 1.42 -1.17 -0.55 0.00 0.00 175.29 174.58 2bjk s LEU 385 N 1.51 4.26 0.00 3.68 2.96 -1.26 -0.54 118.68 129.29 2bjk s LEU 385 Ca 0.03 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2bjk s LEU 385 Cb -0.17 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2bjk s LEU 385 CO 0.02 -0.79 0.32 1.33 -1.32 0.00 0.00 176.35 175.91 2bjk n VAL 386 N 5.19 0.00 -3.63 1.68 0.24 -0.28 -4.96 118.33 116.56 2bjk n VAL 386 Ca 0.15 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 2bjk n VAL 386 Cb 0.44 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 2bjk n VAL 386 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2bjk s LEU 387 N -0.58 -0.72 0.00 1.34 2.96 -1.16 -4.94 118.68 115.59 2bjk s LEU 387 Ca 0.00 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2bjk s LEU 387 Cb 0.00 2.28 0.00 0.00 0.50 0.00 0.00 46.19 48.97 2bjk s LEU 387 CO 0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 2bjk n GLY 388 N 3.03 3.16 1.55 7.98 0.00 -1.23 -1.42 105.19 118.25 2bjk n GLY 388 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2bjk n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjk n GLY 389 N 0.00 0.62 3.15 -0.02 0.00 -1.26 -4.96 105.19 102.73 2bjk n GLY 389 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2bjk n GLY 389 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjk s LYS 390 N -2.37 0.68 0.26 1.61 1.02 -1.26 -4.99 119.74 114.69 2bjk s LYS 390 Ca 0.00 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 54.96 2bjk s LYS 390 Cb 0.00 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.49 2bjk s LYS 390 CO 0.00 -0.19 0.83 0.50 -0.92 0.00 0.00 175.35 175.57 2bjk s ARG 391 N -3.01 4.42 0.55 1.68 3.52 -1.26 -2.04 118.95 122.80 2bjk s ARG 391 Ca -0.02 1.09 -0.00 0.00 -0.13 0.00 0.00 55.73 56.67 2bjk s ARG 391 Cb 0.01 -2.87 0.03 0.00 -1.56 0.00 0.00 34.95 30.55 2bjk s ARG 391 CO -0.06 0.36 0.79 -0.51 -0.81 0.00 0.00 175.30 175.06 2bjk s LEU 392 N -1.95 3.31 0.46 -0.88 1.43 0.48 -4.90 118.68 116.62 2bjk s LEU 392 Ca 0.46 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.50 2bjk s LEU 392 Cb -0.18 -3.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 2bjk s LEU 392 CO 0.23 -1.08 1.17 -1.61 0.23 0.00 0.00 176.35 175.29 2bjk s GLU 393 N -4.78 3.76 0.00 1.70 2.02 -1.26 -4.73 118.70 115.40 2bjk s GLU 393 Ca 0.55 1.78 0.00 0.00 0.02 0.00 0.00 54.97 57.32 2bjk s GLU 393 Cb -0.10 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2bjk s GLU 393 CO 0.40 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2bjk n GLY 394 N 0.45 3.63 0.20 -1.39 0.00 -1.26 -4.89 105.19 101.94 2bjk n GLY 394 Ca 0.07 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 2bjk n GLY 394 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bjk h GLU 395 N 0.00 0.27 -7.28 1.61 4.81 -1.92 -3.45 114.58 108.63 2bjk h GLU 395 Ca 0.00 -0.13 -0.52 0.00 -0.13 0.00 0.00 59.36 58.59 2bjk h GLU 395 Cb 0.00 -0.00 0.18 0.00 0.63 0.00 0.00 28.75 29.56 2bjk h GLU 395 CO 0.00 0.63 0.24 0.20 -0.73 0.00 0.00 179.01 179.35 2bjk s GLY 396 N -4.19 1.68 -1.44 1.92 0.00 -1.25 -4.62 107.32 99.42 2bjk s GLY 396 Ca -0.05 0.48 -0.09 0.00 0.00 0.00 0.00 44.72 45.07 2bjk s GLY 396 CO 0.77 0.89 2.48 -1.72 0.00 0.00 0.00 173.10 175.52 2bjk n TYR 397 N -4.07 2.73 -3.04 1.90 4.02 -0.83 -4.95 117.16 112.94 2bjk n TYR 397 Ca 0.11 -2.94 -0.40 0.00 -0.01 0.00 0.00 57.90 54.66 2bjk n TYR 397 Cb 0.52 -2.19 -0.05 0.00 -0.02 0.00 0.00 39.34 37.60 2bjk n TYR 397 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2bjk s PHE 398 N 0.91 3.40 -0.05 -0.72 0.08 -1.26 -0.56 117.98 119.78 2bjk s PHE 398 Ca 0.56 1.06 0.05 0.00 0.12 0.00 0.00 56.93 58.72 2bjk s PHE 398 Cb 0.16 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 2bjk s PHE 398 CO -0.07 -0.18 -0.20 0.42 -0.10 0.00 0.00 175.22 175.10 2bjk s ILE 399 N 1.91 1.67 0.41 0.64 1.01 -1.26 -0.39 121.20 125.18 2bjk s ILE 399 Ca 0.33 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 2bjk s ILE 399 Cb -0.16 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 2bjk s ILE 399 CO 0.11 0.47 1.02 0.00 0.00 0.00 0.00 174.94 176.54 2bjk s ALA 400 N -0.04 3.06 0.11 9.38 0.00 -0.86 -4.92 121.76 128.49 2bjk s ALA 400 Ca -0.04 0.62 -0.34 0.00 0.00 0.00 0.00 51.96 52.20 2bjk s ALA 400 Cb -0.12 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2bjk s ALA 400 CO 0.03 -0.12 1.60 -2.30 0.00 0.00 0.00 175.76 174.97 2bjk n PRO 401 N -0.20 2.03 -5.08 0.00 -0.02 -1.26 -4.29 135.00 126.18 2bjk n PRO 401 Ca 0.06 0.74 -0.31 0.00 -2.02 0.00 0.00 63.50 61.96 2bjk n PRO 401 Cb 0.51 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 2bjk n PRO 401 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2bjk s THR 402 N 1.39 2.16 -0.04 3.45 2.01 0.28 -3.48 115.64 121.42 2bjk s THR 402 Ca 0.82 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2bjk s THR 402 Cb -0.72 -1.80 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2bjk s THR 402 CO 0.41 0.47 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.10 2bjk s VAL 403 N -0.72 0.41 -0.04 3.82 1.01 -0.51 -1.01 120.40 123.37 2bjk s VAL 403 Ca 0.11 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2bjk s VAL 403 Cb -0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2bjk s VAL 403 CO 0.01 0.19 -0.19 -0.36 0.00 0.00 0.00 175.10 174.75 2bjk s PHE 404 N 0.92 2.55 0.38 5.22 0.40 -0.11 -1.13 117.98 126.21 2bjk s PHE 404 Ca -0.11 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 2bjk s PHE 404 Cb -0.14 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 2bjk s PHE 404 CO -0.00 0.10 0.06 -0.08 0.70 0.00 0.00 175.22 175.99 2bjk s THR 405 N -0.68 1.18 -1.46 0.64 -1.32 0.30 -0.15 115.64 114.13 2bjk s THR 405 Ca 0.11 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.48 2bjk s THR 405 Cb -0.10 -2.64 0.07 0.00 -1.51 0.00 0.00 72.50 68.31 2bjk s THR 405 CO -0.00 0.00 0.79 -0.62 -2.21 0.00 0.00 174.62 172.58 2bjk n GLU 406 N -0.86 -4.93 -2.77 7.08 -0.58 -0.97 -1.26 120.64 116.34 2bjk n GLU 406 Ca -0.06 0.63 -0.42 0.00 -0.42 0.00 0.00 57.16 56.89 2bjk n GLU 406 Cb 0.66 -5.47 -0.03 0.00 -0.57 0.00 0.00 31.44 26.03 2bjk n GLU 406 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2bjk s VAL 407 N -3.17 4.89 0.28 2.62 1.01 -0.78 -4.63 120.40 120.62 2bjk s VAL 407 Ca 0.53 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 64.14 2bjk s VAL 407 Cb -0.26 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 2bjk s VAL 407 CO 0.65 0.15 1.35 -2.84 0.00 0.00 0.00 175.10 174.41 2bjk s PRO 408 N 1.14 4.34 0.46 2.72 0.02 -1.26 -4.60 135.00 137.82 2bjk s PRO 408 Ca 0.48 2.21 0.21 0.00 0.02 0.00 0.00 61.00 63.93 2bjk s PRO 408 Cb -0.20 -3.11 1.21 0.00 0.02 0.00 0.00 34.50 32.42 2bjk s PRO 408 CO 0.24 -0.27 1.89 -1.35 -0.33 0.00 0.00 177.00 177.19 2bjk h PRO 409 N 4.25 0.26 -0.37 5.54 0.11 -1.95 -1.11 132.00 138.72 2bjk h PRO 409 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bjk h PRO 409 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bjk h PRO 409 CO 0.71 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.30 2bjk n LYS 410 N -4.43 2.15 -1.63 1.05 4.76 -1.26 -4.53 118.16 114.26 2bjk n LYS 410 Ca 0.17 -1.76 -0.34 0.00 -2.87 0.00 0.00 58.31 53.51 2bjk n LYS 410 Cb 0.71 -1.44 0.07 0.00 -1.84 0.00 0.00 35.03 32.53 2bjk n LYS 410 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bjk s ALA 411 N -1.52 2.29 0.25 7.82 0.00 -0.42 -4.84 121.76 125.35 2bjk s ALA 411 Ca 0.35 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 2bjk s ALA 411 Cb 0.19 -3.42 0.37 0.00 0.00 0.00 0.00 23.12 20.26 2bjk s ALA 411 CO 0.27 -1.57 1.87 0.00 0.00 0.00 0.00 175.76 176.33 2bjk h ARG 412 N 0.02 1.07 0.00 0.00 3.08 -1.92 -0.38 114.38 116.25 2bjk h ARG 412 Ca -0.48 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2bjk h ARG 412 Cb 1.28 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2bjk h ARG 412 CO 0.52 0.71 0.00 0.44 -1.07 0.00 0.00 179.97 180.57 2bjk n ILE 413 N -4.54 0.59 0.64 2.04 -5.35 -1.26 -0.59 119.36 110.89 2bjk n ILE 413 Ca 0.14 0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.85 2bjk n ILE 413 Cb 0.17 -0.84 0.08 0.00 -1.74 0.00 0.00 39.64 37.31 2bjk n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bjk n ALA 414 N -1.38 2.46 0.00 -1.28 0.00 -0.20 -4.64 120.51 115.47 2bjk n ALA 414 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2bjk n ALA 414 Cb 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2bjk n ALA 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bjk n GLN 415 N 0.96 1.78 -3.79 0.00 1.13 -0.82 -4.89 117.38 111.76 2bjk n GLN 415 Ca 0.10 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.80 2bjk n GLN 415 Cb 0.43 -0.85 -0.06 0.00 0.11 0.00 0.00 30.24 29.87 2bjk n GLN 415 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2bjk s GLU 416 N -1.70 3.56 -0.29 -1.09 2.02 0.24 -4.79 118.70 116.66 2bjk s GLU 416 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 2bjk s GLU 416 Cb 0.00 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 2bjk s GLU 416 CO 0.00 0.74 1.41 -2.00 0.02 0.00 0.00 175.26 175.43 2bjk s GLU 417 N -1.19 3.84 -0.02 1.61 2.12 -1.26 -4.81 118.70 118.99 2bjk s GLU 417 Ca 0.19 1.35 0.01 0.00 0.36 0.00 0.00 54.97 56.88 2bjk s GLU 417 Cb -0.13 -3.94 -0.26 0.00 0.26 0.00 0.00 34.13 30.06 2bjk s GLU 417 CO 0.08 -1.23 0.75 0.82 -0.54 0.00 0.00 175.26 175.14 2bjk h ILE 418 N 6.08 1.02 -5.88 -3.70 2.04 -1.94 -3.49 117.51 111.64 2bjk h ILE 418 Ca -0.29 -2.73 -0.39 0.00 1.00 0.00 0.00 64.86 62.45 2bjk h ILE 418 Cb 1.12 2.63 0.12 0.00 -0.74 0.00 0.00 36.82 39.95 2bjk h ILE 418 CO 1.03 0.76 -0.73 0.33 0.00 0.00 0.00 178.15 179.54 2bjk n PHE 419 N -3.35 -2.56 -4.06 1.37 -0.00 -1.26 -4.70 117.46 102.89 2bjk n PHE 419 Ca -0.18 0.97 -0.14 0.00 -0.00 0.00 0.00 57.45 58.09 2bjk n PHE 419 Cb 1.04 -4.87 -0.04 0.00 -0.00 0.00 0.00 39.48 35.61 2bjk n PHE 419 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2bjk n GLY 420 N -1.71 2.29 2.46 7.13 0.00 -1.23 -4.36 105.19 109.77 2bjk n GLY 420 Ca -0.09 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2bjk n GLY 420 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bjk n PRO 421 N -0.55 3.32 -3.88 1.61 -0.04 -0.32 -4.33 135.00 130.81 2bjk n PRO 421 Ca 0.02 -2.24 -0.28 0.00 -0.04 0.00 0.00 63.50 60.95 2bjk n PRO 421 Cb 0.55 -2.90 -0.16 0.00 -0.04 0.00 0.00 33.50 30.95 2bjk n PRO 421 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bjk s VAL 422 N 2.59 1.11 -0.15 0.52 1.01 -1.26 -0.55 120.40 123.66 2bjk s VAL 422 Ca 0.62 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2bjk s VAL 422 Cb 0.16 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2bjk s VAL 422 CO -0.06 0.07 0.00 -0.22 0.00 0.00 0.00 175.10 174.89 2bjk s LEU 423 N 1.62 3.49 -0.23 3.92 2.96 -0.18 -4.74 118.68 125.52 2bjk s LEU 423 Ca -0.00 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 2bjk s LEU 423 Cb -0.16 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2bjk s LEU 423 CO -0.07 0.20 0.03 -0.44 -1.32 0.00 0.00 176.35 174.75 2bjk s SER 424 N 0.18 4.88 -0.23 3.68 0.01 -0.33 -0.93 113.70 120.96 2bjk s SER 424 Ca 0.01 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 2bjk s SER 424 Cb -0.13 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 2bjk s SER 424 CO 0.02 -0.01 0.14 -0.69 0.41 0.00 0.00 173.24 173.11 2bjk s VAL 425 N 1.45 5.24 -0.13 3.43 1.01 0.78 -0.70 120.40 131.48 2bjk s VAL 425 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2bjk s VAL 425 Cb -0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2bjk s VAL 425 CO 0.02 0.38 -0.18 -0.63 0.00 0.00 0.00 175.10 174.68 2bjk s ILE 426 N 0.88 2.49 -0.23 2.22 1.01 0.22 -1.87 121.20 125.93 2bjk s ILE 426 Ca 0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 2bjk s ILE 426 Cb -0.13 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 2bjk s ILE 426 CO 0.03 0.53 0.26 -0.60 0.00 0.00 0.00 174.94 175.16 2bjk s ARG 427 N 0.61 4.10 0.30 2.79 3.52 -1.26 -1.13 118.95 127.86 2bjk s ARG 427 Ca -0.10 -0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.49 2bjk s ARG 427 Cb -0.16 -3.55 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 2bjk s ARG 427 CO 0.03 -0.01 -0.07 0.14 -0.81 0.00 0.00 175.30 174.58 2bjk s VAL 428 N 1.25 1.81 -0.03 7.11 -7.23 -0.19 -4.97 120.40 118.14 2bjk s VAL 428 Ca 0.12 -2.15 -0.19 0.00 -1.81 0.00 0.00 61.98 57.95 2bjk s VAL 428 Cb -0.14 -2.50 -0.12 0.00 0.56 0.00 0.00 36.38 34.18 2bjk s VAL 428 CO 0.06 -0.28 0.80 0.11 -0.31 0.00 0.00 175.10 175.49 2bjk h LYS 429 N 2.21 -0.42 0.00 4.82 1.57 -1.94 0.01 116.57 122.82 2bjk h LYS 429 Ca -0.40 0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.12 2bjk h LYS 429 Cb 1.24 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.57 2bjk h LYS 429 CO 0.68 -0.13 -0.27 -0.40 -0.57 0.00 0.00 179.45 178.76 2bjk n ASP 430 N -5.07 -0.22 -0.19 0.86 5.68 -1.26 -3.20 116.55 113.14 2bjk n ASP 430 Ca -0.08 -2.27 -0.02 0.00 -0.50 0.00 0.00 54.79 51.92 2bjk n ASP 430 Cb 0.24 0.93 0.18 0.00 -1.14 0.00 0.00 41.12 41.33 2bjk n ASP 430 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2bjk h PHE 431 N 1.59 0.97 -0.54 2.11 3.57 -1.98 -0.67 116.94 121.99 2bjk h PHE 431 Ca -0.14 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 2bjk h PHE 431 Cb 0.70 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2bjk h PHE 431 CO 0.00 0.73 0.31 0.00 -2.23 0.00 0.00 178.31 177.12 2bjk h ALA 432 N 1.36 0.70 -0.16 2.41 0.00 -2.00 -0.78 119.26 120.79 2bjk h ALA 432 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2bjk h ALA 432 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2bjk h ALA 432 CO -0.02 0.20 -0.36 1.49 0.00 0.00 0.00 179.25 180.55 2bjk h GLU 433 N 0.73 0.33 -0.50 0.00 4.81 -1.87 -1.92 114.58 116.17 2bjk h GLU 433 Ca 0.19 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2bjk h GLU 433 Cb 0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2bjk h GLU 433 CO -0.03 0.65 0.29 0.00 -0.73 0.00 0.00 179.01 179.19 2bjk h ALA 434 N 1.34 0.64 -0.55 2.92 0.00 -0.33 -0.61 119.26 122.67 2bjk h ALA 434 Ca 0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2bjk h ALA 434 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2bjk h ALA 434 CO 0.06 0.13 -0.04 -0.07 0.00 0.00 0.00 179.25 179.33 2bjk h LEU 435 N 0.67 0.95 -0.16 0.00 3.38 -0.92 0.66 115.31 119.89 2bjk h LEU 435 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2bjk h LEU 435 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2bjk h LEU 435 CO -0.03 1.03 0.10 -0.33 0.09 0.00 0.00 178.44 179.30 2bjk h GLU 436 N 0.88 0.21 -0.55 1.13 5.08 -0.97 -0.31 114.58 120.05 2bjk h GLU 436 Ca 0.15 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2bjk h GLU 436 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2bjk h GLU 436 CO 0.03 0.17 0.07 0.28 -1.00 0.00 0.00 179.01 178.56 2bjk h VAL 437 N 0.20 1.26 -0.80 3.13 2.07 -0.98 -1.46 116.25 119.67 2bjk h VAL 437 Ca 0.06 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.60 2bjk h VAL 437 Cb 0.00 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2bjk h VAL 437 CO -0.01 0.36 0.52 0.00 0.02 0.00 0.00 177.57 178.46 2bjk h ALA 438 N 0.99 1.04 0.00 1.67 0.00 -0.55 -2.70 119.26 119.71 2bjk h ALA 438 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2bjk h ALA 438 Cb 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bjk h ALA 438 CO 0.02 0.37 -0.04 -0.91 0.00 0.00 0.00 179.25 178.69 2bjk h ASN 439 N 1.04 0.00 -0.28 0.00 2.35 -0.88 -3.40 115.58 114.41 2bjk h ASN 439 Ca 0.31 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.35 2bjk h ASN 439 Cb -0.05 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2bjk h ASN 439 CO -0.09 0.04 3.17 -0.67 -1.65 0.00 0.00 177.43 178.22 2bjk n ASP 440 N -3.11 5.98 -3.94 5.81 2.03 -0.57 -4.81 116.55 117.94 2bjk n ASP 440 Ca 0.03 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.43 2bjk n ASP 440 Cb 0.51 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.27 2bjk n ASP 440 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2bjk s THR 441 N 2.12 0.06 -1.11 5.18 -4.23 -1.26 -4.97 115.64 111.43 2bjk s THR 441 Ca 0.54 -1.33 0.24 0.00 -1.18 0.00 0.00 61.69 59.96 2bjk s THR 441 Cb 0.15 -1.82 0.26 0.00 1.34 0.00 0.00 72.50 72.43 2bjk s THR 441 CO -0.07 -0.27 1.78 -2.65 -0.54 0.00 0.00 174.62 172.86 2bjk n PRO 442 N -0.23 0.09 -2.99 3.99 -0.02 -1.26 -4.86 135.00 129.71 2bjk n PRO 442 Ca -0.08 0.08 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 2bjk n PRO 442 Cb 0.63 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.66 2bjk n PRO 442 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2bjk s TYR 443 N -2.89 1.78 -0.34 6.00 1.51 -1.26 -0.84 117.35 121.30 2bjk s TYR 443 Ca 0.15 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2bjk s TYR 443 Cb 0.16 -2.31 0.20 0.00 -0.11 0.00 0.00 41.96 39.89 2bjk s TYR 443 CO 0.42 -1.01 1.19 0.41 -1.11 0.00 0.00 175.55 175.44 2bjk n GLY 444 N -2.19 -0.37 0.00 0.71 0.00 -1.18 -4.78 105.19 97.38 2bjk n GLY 444 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2bjk n GLY 444 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bjk n LEU 445 N -0.27 0.68 -4.50 0.99 7.94 -1.26 -0.54 117.00 120.04 2bjk n LEU 445 Ca -0.16 0.08 -0.25 0.00 -1.11 0.00 0.00 56.01 54.57 2bjk n LEU 445 Cb 0.71 -0.20 -0.10 0.00 0.53 0.00 0.00 43.42 44.36 2bjk n LEU 445 CO -0.09 -0.20 -0.44 0.42 -1.11 0.00 0.00 177.39 175.96 2bjk s THR 446 N -0.41 2.40 0.08 1.96 -4.23 -1.26 -1.16 115.64 113.01 2bjk s THR 446 Ca 0.00 -2.32 -0.26 0.00 -1.18 0.00 0.00 61.69 57.93 2bjk s THR 446 Cb 0.00 -2.45 0.09 0.00 1.34 0.00 0.00 72.50 71.47 2bjk s THR 446 CO 0.00 -0.32 0.74 -0.83 -0.54 0.00 0.00 174.62 173.68 2bjk s GLY 447 N -3.55 -0.54 0.08 3.99 0.00 -0.62 -3.96 107.32 102.71 2bjk s GLY 447 Ca 0.31 0.76 -0.07 0.00 0.00 0.00 0.00 44.72 45.72 2bjk s GLY 447 CO 0.16 0.26 0.14 -0.32 0.00 0.00 0.00 173.10 173.33 2bjk s GLY 448 N -2.60 0.17 -0.03 0.20 0.00 -0.30 -1.24 107.32 103.51 2bjk s GLY 448 Ca 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 2bjk s GLY 448 CO -0.11 -0.88 0.06 0.14 0.00 0.00 0.00 173.10 172.31 2bjk s VAL 449 N -3.74 -0.09 -0.28 1.40 1.01 -0.55 -0.59 120.40 117.56 2bjk s VAL 449 Ca 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 2bjk s VAL 449 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 2bjk s VAL 449 CO -0.10 0.12 0.07 -0.31 0.00 0.00 0.00 175.10 174.89 2bjk s TYR 450 N 1.53 3.12 -0.14 5.22 1.51 0.16 -0.92 117.35 127.82 2bjk s TYR 450 Ca -0.04 -0.76 -0.30 0.00 -1.01 0.00 0.00 57.07 54.96 2bjk s TYR 450 Cb -0.12 -2.25 0.12 0.00 -0.11 0.00 0.00 41.96 39.60 2bjk s TYR 450 CO -0.03 -0.50 0.95 0.45 -1.11 0.00 0.00 175.55 175.31 2bjk s SER 451 N 1.55 -0.41 0.00 2.29 0.15 -1.26 -2.49 113.70 113.53 2bjk s SER 451 Ca 0.04 0.44 0.18 0.00 0.70 0.00 0.00 55.95 57.31 2bjk s SER 451 Cb -0.16 0.34 -0.16 0.00 -1.71 0.00 0.00 66.02 64.32 2bjk s SER 451 CO 0.03 -0.38 0.79 0.54 1.20 0.00 0.00 173.24 175.41 2bjk n ARG 452 N 0.75 1.24 -2.58 5.44 1.74 -1.24 -4.85 116.66 117.15 2bjk n ARG 452 Ca -0.11 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.37 2bjk n ARG 452 Cb 0.58 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.66 2bjk n ARG 452 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2bjk s LYS 453 N -2.57 3.78 0.25 5.56 2.20 -1.26 -4.91 119.74 122.79 2bjk s LYS 453 Ca 0.08 0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 2bjk s LYS 453 Cb 0.14 -3.89 0.46 0.00 -1.51 0.00 0.00 37.83 33.03 2bjk s LYS 453 CO 0.68 -1.31 1.75 0.00 -0.36 0.00 0.00 175.35 176.11 2bjk h ARG 454 N 9.14 0.53 -0.23 4.03 2.47 -2.00 -1.17 114.38 127.15 2bjk h ARG 454 Ca -0.23 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.44 2bjk h ARG 454 Cb 1.06 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 2bjk h ARG 454 CO 1.11 0.35 0.06 0.93 0.56 0.00 0.00 179.97 182.98 2bjk h GLU 455 N 0.54 0.32 -0.13 0.04 3.07 -1.99 -0.78 114.58 115.65 2bjk h GLU 455 Ca 0.42 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 59.04 2bjk h GLU 455 Cb 0.59 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2bjk h GLU 455 CO -0.36 0.29 -0.70 0.45 -1.40 0.00 0.00 179.01 177.29 2bjk h HIS 456 N 0.32 0.95 -0.19 4.33 3.86 -1.63 -1.69 115.15 121.09 2bjk h HIS 456 Ca 0.08 -0.43 -0.02 0.00 -1.16 0.00 0.00 60.37 58.85 2bjk h HIS 456 Cb 0.11 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2bjk h HIS 456 CO 0.00 1.24 0.06 -0.07 0.86 0.00 0.00 177.93 180.03 2bjk h LEU 457 N 0.39 0.28 -1.20 2.43 3.38 -0.99 -0.79 115.31 118.81 2bjk h LEU 457 Ca -0.05 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2bjk h LEU 457 Cb 1.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2bjk h LEU 457 CO 0.14 0.41 -0.39 -0.33 0.09 0.00 0.00 178.44 178.37 2bjk h GLU 458 N 0.13 0.00 -0.03 1.13 4.39 -1.21 -0.11 114.58 118.88 2bjk h GLU 458 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2bjk h GLU 458 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2bjk h GLU 458 CO -0.00 0.39 0.01 2.35 -1.16 0.00 0.00 179.01 180.59 2bjk h TRP 459 N 0.00 0.05 -0.54 4.33 2.91 -1.08 -2.88 115.95 118.74 2bjk h TRP 459 Ca -0.00 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 2bjk h TRP 459 Cb 0.73 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.33 2bjk h TRP 459 CO 0.00 0.26 0.20 0.00 -1.03 0.00 0.00 178.44 177.87 2bjk h ALA 460 N 0.79 1.34 -0.72 2.65 0.00 -0.71 0.89 119.26 123.49 2bjk h ALA 460 Ca 0.01 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.88 2bjk h ALA 460 Cb 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2bjk h ALA 460 CO 0.00 0.49 0.48 -0.09 0.00 0.00 0.00 179.25 180.13 2bjk h ARG 461 N 0.78 0.51 0.10 0.00 2.43 -0.82 0.02 114.38 117.41 2bjk h ARG 461 Ca 0.18 -0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 58.97 2bjk h ARG 461 Cb 0.18 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2bjk h ARG 461 CO -0.02 0.34 -1.97 0.54 -1.51 0.00 0.00 179.97 177.35 2bjk n ARG 462 N -4.49 0.74 -0.00 0.20 1.74 -0.78 -4.70 116.66 109.37 2bjk n ARG 462 Ca 0.13 0.26 0.07 0.00 -0.77 0.00 0.00 57.85 57.54 2bjk n ARG 462 Cb 0.41 -1.72 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 2bjk n ARG 462 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bjk n GLU 463 N -3.41 1.65 -2.63 5.56 -0.58 0.24 -4.84 120.64 116.62 2bjk n GLU 463 Ca -0.30 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 55.97 2bjk n GLU 463 Cb 1.05 -1.23 -0.03 0.00 -0.57 0.00 0.00 31.44 30.65 2bjk n GLU 463 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2bjk s PHE 464 N -2.58 2.54 -1.35 -0.32 2.19 -0.03 -4.93 117.98 113.50 2bjk s PHE 464 Ca 0.02 0.12 -0.16 0.00 0.33 0.00 0.00 56.93 57.24 2bjk s PHE 464 Cb 0.10 -4.46 0.07 0.00 -1.31 0.00 0.00 43.02 37.42 2bjk s PHE 464 CO 0.59 -1.71 1.90 1.58 1.83 0.00 0.00 175.22 179.41 2bjk n HIS 465 N 8.53 4.18 -4.10 10.12 -0.00 -1.26 -4.90 115.22 127.79 2bjk n HIS 465 Ca 0.05 -2.93 -0.13 0.00 -0.00 0.00 0.00 57.72 54.71 2bjk n HIS 465 Cb 0.48 -2.53 -0.11 0.00 -0.00 0.00 0.00 29.99 27.83 2bjk n HIS 465 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2bjk s VAL 466 N 3.39 0.65 0.18 3.57 -7.23 -1.26 -4.61 120.40 115.09 2bjk s VAL 466 Ca 0.50 -1.30 0.18 0.00 -1.81 0.00 0.00 61.98 59.54 2bjk s VAL 466 Cb 0.07 -0.90 0.11 0.00 0.56 0.00 0.00 36.38 36.22 2bjk s VAL 466 CO 0.01 -0.47 1.72 1.23 -0.31 0.00 0.00 175.10 177.27 2bjk h GLY 467 N 4.12 0.00 -7.28 2.32 0.00 -0.65 -3.41 103.07 98.18 2bjk h GLY 467 Ca -0.36 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.42 2bjk h GLY 467 CO 0.46 0.00 -0.77 -1.31 0.00 0.00 0.00 176.54 174.92 2bjk s ASN 468 N -6.50 3.29 -0.07 0.19 -0.87 -0.31 -4.78 114.94 105.89 2bjk s ASN 468 Ca -0.00 -1.06 0.02 0.00 -1.57 0.00 0.00 52.86 50.25 2bjk s ASN 468 Cb 0.11 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.25 40.60 2bjk s ASN 468 CO 0.70 -0.33 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.56 2bjk s LEU 469 N 1.76 2.81 -0.03 0.60 2.96 -1.26 -1.59 118.68 123.93 2bjk s LEU 469 Ca 0.01 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2bjk s LEU 469 Cb -0.17 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2bjk s LEU 469 CO -0.12 0.30 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.78 2bjk s TYR 470 N -0.46 1.24 -0.17 5.38 1.51 -0.38 -4.98 117.35 119.50 2bjk s TYR 470 Ca 0.06 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2bjk s TYR 470 Cb -0.12 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2bjk s TYR 470 CO 0.02 -0.14 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.20 2bjk s PHE 471 N 0.19 2.94 -1.44 2.71 0.08 -1.26 -1.49 117.98 119.71 2bjk s PHE 471 Ca -0.04 -0.58 -0.10 0.00 0.12 0.00 0.00 56.93 56.32 2bjk s PHE 471 Cb -0.10 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2bjk s PHE 471 CO 0.01 -0.24 1.03 0.09 -0.10 0.00 0.00 175.22 176.01 2bjk n ASN 472 N 3.91 -5.73 -3.73 1.36 3.02 -0.10 -4.97 115.26 109.02 2bjk n ASN 472 Ca -0.18 -0.59 -0.05 0.00 -0.03 0.00 0.00 54.58 53.73 2bjk n ASN 472 Cb 0.52 -4.54 -0.02 0.00 -0.61 0.00 0.00 39.78 35.13 2bjk n ASN 472 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bjk s ARG 473 N -6.35 1.29 0.75 3.52 1.70 -1.26 -5.04 118.95 113.55 2bjk s ARG 473 Ca 0.58 -0.68 -0.15 0.00 -0.47 0.00 0.00 55.73 55.01 2bjk s ARG 473 Cb -0.27 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.60 2bjk s ARG 473 CO 0.72 -0.59 1.09 0.36 -1.08 0.00 0.00 175.30 175.80 2bjk n LYS 474 N -0.44 0.46 -0.21 3.89 2.85 -1.26 -4.86 118.16 118.58 2bjk n LYS 474 Ca -0.07 0.22 0.11 0.00 -1.05 0.00 0.00 58.31 57.53 2bjk n LYS 474 Cb 0.61 -2.34 0.22 0.00 -0.65 0.00 0.00 35.03 32.87 2bjk n LYS 474 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2bjk n ILE 475 N -2.75 0.60 -3.66 0.58 -5.35 -1.26 -4.89 119.36 102.63 2bjk n ILE 475 Ca 0.13 -0.80 -0.22 0.00 -0.27 0.00 0.00 62.75 61.60 2bjk n ILE 475 Cb 0.50 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.25 2bjk n ILE 475 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bjk s THR 476 N -1.34 2.51 -0.09 7.28 -4.23 -1.26 -4.81 115.64 113.70 2bjk s THR 476 Ca 0.38 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2bjk s THR 476 Cb 0.22 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2bjk s THR 476 CO 0.30 0.00 0.02 0.61 -0.54 0.00 0.00 174.62 175.01 2bjk n GLY 477 N -1.53 0.51 3.64 3.99 0.00 -1.26 -4.99 105.19 105.56 2bjk n GLY 477 Ca 0.03 -0.77 -0.47 0.00 0.00 0.00 0.00 46.02 44.81 2bjk n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjk n ALA 478 N -1.61 0.58 -2.69 4.61 0.00 -1.26 -4.94 120.51 115.20 2bjk n ALA 478 Ca -0.01 0.46 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 2bjk n ALA 478 Cb 0.51 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.65 2bjk n ALA 478 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bjk s LEU 479 N 0.60 4.32 0.23 0.00 1.43 -1.26 -4.97 118.68 119.03 2bjk s LEU 479 Ca 0.77 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 54.19 2bjk s LEU 479 Cb -0.75 -2.41 -0.14 0.00 0.03 0.00 0.00 46.19 42.92 2bjk s LEU 479 CO 0.44 0.18 1.32 0.52 0.23 0.00 0.00 176.35 179.04 2bjk n VAL 480 N 2.97 1.03 0.00 -1.59 0.31 -1.26 -1.24 118.33 118.55 2bjk n VAL 480 Ca -0.13 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2bjk n VAL 480 Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2bjk n VAL 480 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bjk n GLY 481 N 2.01 1.41 0.09 2.92 0.00 -0.16 -4.66 105.19 106.80 2bjk n GLY 481 Ca 0.12 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2bjk n GLY 481 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bjk h VAL 482 N 0.00 1.66 -3.13 1.61 2.07 -1.67 -3.42 116.25 113.37 2bjk h VAL 482 Ca 0.00 -2.24 -0.62 0.00 0.82 0.00 0.00 66.70 64.65 2bjk h VAL 482 Cb 0.00 3.15 -0.41 0.00 -1.52 0.00 0.00 31.29 32.51 2bjk h VAL 482 CO 0.00 0.60 -0.69 -1.10 0.02 0.00 0.00 177.57 176.41 2bjk s GLN 483 N -2.58 1.67 -0.07 1.57 1.11 -0.37 -5.00 119.66 116.00 2bjk s GLN 483 Ca -0.17 -2.40 -0.39 0.00 0.01 0.00 0.00 55.36 52.41 2bjk s GLN 483 Cb -0.01 -2.80 -0.17 0.00 -1.01 0.00 0.00 33.01 29.02 2bjk s GLN 483 CO 0.73 -1.16 1.41 -2.30 0.01 0.00 0.00 175.29 173.98 2bjk n PRO 484 N 3.17 0.84 -4.06 2.91 -0.02 -1.26 -4.53 135.00 132.06 2bjk n PRO 484 Ca 0.09 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 2bjk n PRO 484 Cb 0.34 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.78 2bjk n PRO 484 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2bjk s PHE 485 N 1.35 3.10 0.00 6.00 5.36 -0.68 -4.86 117.98 128.26 2bjk s PHE 485 Ca 0.91 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2bjk s PHE 485 Cb -1.09 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2bjk s PHE 485 CO 0.56 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.62 2bjk n GLY 486 N 4.05 3.21 0.00 13.12 0.00 -1.26 -1.00 105.19 123.31 2bjk n GLY 486 Ca -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2bjk n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjk n GLY 487 N -0.83 2.89 3.71 -0.02 0.00 -1.26 -4.19 105.19 105.49 2bjk n GLY 487 Ca 0.00 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.59 2bjk n GLY 487 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bjk s PHE 488 N 0.48 2.28 0.00 1.61 2.99 0.30 -3.29 117.98 122.36 2bjk s PHE 488 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 56.93 56.19 2bjk s PHE 488 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 43.02 41.23 2bjk s PHE 488 CO 0.00 0.24 0.00 1.63 -0.00 0.00 0.00 175.22 177.09 2bjk n LYS 489 N -1.19 0.00 0.00 0.44 5.02 -1.26 -1.48 118.16 119.69 2bjk n LYS 489 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2bjk n LYS 489 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 2bjk n LYS 489 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bjk n LEU 490 N 0.00 0.51 -0.39 -0.35 4.77 -0.02 -2.52 117.00 119.01 2bjk n LEU 490 Ca 0.00 -0.26 0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2bjk n LEU 490 Cb 0.00 -0.26 0.52 0.00 -2.33 0.00 0.00 43.42 41.36 2bjk n LEU 490 CO 0.00 0.13 0.84 -1.20 -1.33 0.00 0.00 177.39 175.83 2bjk n SER 491 N -0.23 1.27 0.00 -1.43 7.64 -0.55 -4.65 113.62 115.67 2bjk n SER 491 Ca 0.00 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.58 2bjk n SER 491 Cb 0.13 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2bjk n SER 491 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bjk n GLY 492 N 1.20 0.83 0.68 0.23 0.00 -1.05 -1.25 105.19 105.84 2bjk n GLY 492 Ca 0.18 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 44.29 2bjk n GLY 492 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bjk n THR 493 N 6.98 0.38 -3.05 2.61 -2.24 -0.37 -4.44 114.28 114.15 2bjk n THR 493 Ca 0.00 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.14 2bjk n THR 493 Cb 0.00 0.37 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 2bjk n THR 493 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bjk n ASN 494 N 0.57 -5.21 -4.55 3.42 4.05 -1.21 -4.94 115.26 107.40 2bjk n ASN 494 Ca 0.15 -0.30 -0.42 0.00 0.45 0.00 0.00 54.58 54.46 2bjk n ASN 494 Cb 0.35 -3.95 -0.03 0.00 1.23 0.00 0.00 39.78 37.39 2bjk n ASN 494 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2bjk s ALA 495 N -3.12 2.87 -0.52 5.20 0.00 -1.26 -4.92 121.76 120.00 2bjk s ALA 495 Ca 0.33 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 2bjk s ALA 495 Cb -0.14 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2bjk s ALA 495 CO 0.40 -3.02 1.52 0.15 0.00 0.00 0.00 175.76 174.81 2bjk s LYS 496 N 5.33 3.24 0.55 0.00 -0.14 -1.26 -4.58 119.74 122.89 2bjk s LYS 496 Ca 0.37 0.64 -0.17 0.00 -1.36 0.00 0.00 55.97 55.45 2bjk s LYS 496 Cb -0.08 -4.16 -0.06 0.00 -1.68 0.00 0.00 37.83 31.85 2bjk s LYS 496 CO 0.18 -1.99 1.03 0.95 -0.76 0.00 0.00 175.35 174.76 2bjk s THR 497 N 6.49 4.04 -1.21 2.17 -4.23 -0.17 -3.63 115.64 119.10 2bjk s THR 497 Ca 0.58 1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 62.09 2bjk s THR 497 Cb -0.13 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2bjk s THR 497 CO 0.26 -0.53 0.16 0.61 -0.54 0.00 0.00 174.62 174.59 2bjk n GLY 498 N -1.08 -0.22 3.05 3.99 0.00 -1.26 -1.69 105.19 107.98 2bjk n GLY 498 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2bjk n GLY 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjk s ALA 499 N -2.84 0.12 0.29 4.61 0.00 -1.24 -0.99 121.76 121.72 2bjk s ALA 499 Ca 0.08 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2bjk s ALA 499 Cb -0.04 0.20 0.59 0.00 0.00 0.00 0.00 23.12 23.87 2bjk s ALA 499 CO 0.10 -0.25 1.85 -0.07 0.00 0.00 0.00 175.76 177.39 2bjk h LEU 500 N 4.06 0.89 -2.40 0.00 3.38 -1.95 -1.73 115.31 117.56 2bjk h LEU 500 Ca -0.32 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2bjk h LEU 500 Cb 1.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bjk h LEU 500 CO 0.49 0.48 -0.01 0.44 0.09 0.00 0.00 178.44 179.93 2bjk h ASP 501 N 0.96 0.00 -0.58 -0.43 5.19 -1.97 -3.06 116.42 116.54 2bjk h ASP 501 Ca 0.48 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.96 2bjk h ASP 501 Cb 0.49 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 2bjk h ASP 501 CO -0.24 0.01 0.27 0.22 -3.12 0.00 0.00 179.24 176.38 2bjk h TYR 502 N 0.00 0.50 0.00 4.55 3.20 -1.41 -2.62 116.97 121.19 2bjk h TYR 502 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2bjk h TYR 502 Cb 0.03 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2bjk h TYR 502 CO 0.00 0.21 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.39 2bjk h LEU 503 N 0.51 0.00 -2.23 2.82 3.38 -1.72 -2.47 115.31 115.61 2bjk h LEU 503 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2bjk h LEU 503 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bjk h LEU 503 CO -0.21 0.27 -0.01 -0.09 0.09 0.00 0.00 178.44 178.49 2bjk h ARG 504 N 0.00 0.00 0.00 1.13 9.65 -1.63 -1.42 114.38 122.11 2bjk h ARG 504 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2bjk h ARG 504 Cb 0.53 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2bjk h ARG 504 CO 0.04 0.01 -0.05 -0.07 2.80 0.00 0.00 179.97 182.70 2bjk h LEU 505 N 0.00 0.00 -3.45 3.80 3.38 -1.52 -2.73 115.31 114.80 2bjk h LEU 505 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2bjk h LEU 505 Cb 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 2bjk h LEU 505 CO 0.00 0.05 0.08 0.49 0.09 0.00 0.00 178.44 179.14 2bjk n PHE 506 N -3.33 1.46 -4.10 1.13 0.99 -0.54 -4.97 117.46 108.11 2bjk n PHE 506 Ca -0.02 -1.35 -0.11 0.00 -0.00 0.00 0.00 57.45 55.97 2bjk n PHE 506 Cb 0.20 -0.52 -0.11 0.00 -1.00 0.00 0.00 39.48 38.05 2bjk n PHE 506 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2bjk s LEU 507 N -3.09 2.36 0.21 4.37 1.43 -1.03 -3.49 118.68 119.45 2bjk s LEU 507 Ca 0.47 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2bjk s LEU 507 Cb 0.40 -0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.49 2bjk s LEU 507 CO 0.06 -0.33 -0.15 -1.83 0.23 0.00 0.00 176.35 174.32 2bjk s GLU 508 N -2.54 1.38 -0.07 1.70 -1.05 -0.18 -4.94 118.70 113.00 2bjk s GLU 508 Ca -0.02 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.20 2bjk s GLU 508 Cb -0.03 -1.23 -0.03 0.00 -0.44 0.00 0.00 34.13 32.40 2bjk s GLU 508 CO -0.02 0.21 -0.07 1.41 0.95 0.00 0.00 175.26 177.73 2bjk s MET 509 N -3.60 2.73 -0.04 -4.83 -2.45 -1.26 -0.95 119.30 108.91 2bjk s MET 509 Ca 0.23 -0.56 0.07 0.00 -1.25 0.00 0.00 55.69 54.19 2bjk s MET 509 Cb -0.02 -2.58 -0.02 0.00 1.25 0.00 0.00 34.83 33.47 2bjk s MET 509 CO 0.08 0.66 -0.25 0.21 1.05 0.00 0.00 175.02 176.77 2bjk s LYS 510 N -0.80 2.29 -0.18 4.11 2.20 -0.05 -4.98 119.74 122.34 2bjk s LYS 510 Ca 0.12 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2bjk s LYS 510 Cb -0.11 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.12 2bjk s LYS 510 CO 0.01 0.50 -0.20 0.00 -0.36 0.00 0.00 175.35 175.30 2bjk s ALA 511 N -0.46 2.33 -0.13 3.13 0.00 -1.26 -1.06 121.76 124.31 2bjk s ALA 511 Ca 0.05 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2bjk s ALA 511 Cb -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2bjk s ALA 511 CO 0.01 -0.31 -0.19 0.08 0.00 0.00 0.00 175.76 175.35 2bjk s VAL 512 N 1.23 1.83 -0.06 0.00 1.01 0.44 -4.98 120.40 119.86 2bjk s VAL 512 Ca 0.03 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2bjk s VAL 512 Cb -0.13 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2bjk s VAL 512 CO -0.11 0.51 -0.18 0.00 0.00 0.00 0.00 175.10 175.31 2bjk s ALA 513 N 0.92 2.46 -0.13 5.51 0.00 -1.26 -0.99 121.76 128.27 2bjk s ALA 513 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2bjk s ALA 513 Cb -0.15 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2bjk s ALA 513 CO -0.02 0.47 -0.14 -2.00 0.00 0.00 0.00 175.76 174.06 2bjk s GLU 514 N -0.39 2.19 -0.30 0.00 2.12 -0.12 -4.97 118.70 117.24 2bjk s GLU 514 Ca 0.04 -0.53 -0.18 0.00 0.36 0.00 0.00 54.97 54.66 2bjk s GLU 514 Cb -0.12 -1.97 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2bjk s GLU 514 CO 0.02 -0.17 0.53 0.50 -0.54 0.00 0.00 175.26 175.60 2bjk s ARG 515 N 1.31 3.91 0.00 4.30 6.06 -1.26 -1.23 118.95 132.03 2bjk s ARG 515 Ca 0.00 0.16 0.26 0.00 -2.50 0.00 0.00 55.73 53.66 2bjk s ARG 515 Cb -0.14 -3.71 1.57 0.00 0.06 0.00 0.00 34.95 32.73 2bjk s ARG 515 CO -0.07 -0.47 1.92 1.19 -2.50 0.00 0.00 175.30 175.37