#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjj n ARG 2 N 0.00 1.21 -3.66 1.61 0.63 -1.26 -5.18 116.66 110.01 2bjj n ARG 2 Ca 0.00 -0.87 -0.14 0.00 -0.92 0.00 0.00 57.85 55.92 2bjj n ARG 2 Cb 0.00 0.37 -0.08 0.00 0.45 0.00 0.00 32.46 33.20 2bjj n ARG 2 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2bjj s ARG 3 N -2.41 0.73 -0.30 -0.14 3.52 -1.26 -5.11 118.95 113.98 2bjj s ARG 3 Ca 0.03 0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 56.48 2bjj s ARG 3 Cb 0.00 0.35 0.11 0.00 -1.56 0.00 0.00 34.95 33.85 2bjj s ARG 3 CO 0.02 -0.09 0.16 0.50 -0.81 0.00 0.00 175.30 175.08 2bjj s ARG 4 N 0.38 0.26 0.11 5.12 6.06 -1.26 -5.06 118.95 124.56 2bjj s ARG 4 Ca -0.00 -0.61 -0.28 0.00 -2.50 0.00 0.00 55.73 52.34 2bjj s ARG 4 Cb -0.04 -1.12 -0.09 0.00 0.06 0.00 0.00 34.95 33.76 2bjj s ARG 4 CO 0.00 -1.05 1.46 -0.09 -2.50 0.00 0.00 175.30 173.12 2bjj h ARG 5 N 8.17 -0.29 0.00 5.12 9.65 -1.99 -3.47 114.38 131.58 2bjj h ARG 5 Ca -0.15 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2bjj h ARG 5 Cb 1.01 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2bjj h ARG 5 CO 0.40 -0.19 0.00 0.45 2.80 0.00 0.00 179.97 183.43 2bjj n SER 6 N -4.94 0.00 -4.63 -3.80 2.88 -1.26 -4.87 113.62 97.00 2bjj n SER 6 Ca -0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.16 2bjj n SER 6 Cb 0.28 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 2bjj n SER 6 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bjj s VAL 7 N -2.00 4.96 -0.54 2.46 1.01 -0.90 -4.95 120.40 120.44 2bjj s VAL 7 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 2bjj s VAL 7 Cb 0.00 -3.27 0.07 0.00 0.00 0.00 0.00 36.38 33.18 2bjj s VAL 7 CO 0.00 0.41 0.68 -1.10 0.00 0.00 0.00 175.10 175.09 2bjj s GLN 8 N 0.70 3.11 -0.03 2.72 -0.21 -1.26 -0.44 119.66 124.25 2bjj s GLN 8 Ca 0.05 -0.98 -0.20 0.00 0.02 0.00 0.00 55.36 54.25 2bjj s GLN 8 Cb -0.13 -4.15 -0.05 0.00 1.00 0.00 0.00 33.01 29.68 2bjj s GLN 8 CO 0.02 -1.36 0.58 -0.46 -2.12 0.00 0.00 175.29 171.95 2bjj s TRP 9 N 2.79 3.65 -0.31 0.91 -0.11 0.99 1.00 118.94 127.85 2bjj s TRP 9 Ca 0.15 1.15 -0.20 0.00 1.22 0.00 0.00 56.10 58.42 2bjj s TRP 9 Cb -0.20 -2.61 -0.01 0.00 -1.50 0.00 0.00 33.47 29.15 2bjj s TRP 9 CO 0.10 0.30 0.63 0.00 -4.62 0.00 0.00 176.95 173.37 2bjj s ALA 11 N 2.61 3.49 -0.46 0.00 0.00 -0.45 -4.76 121.76 122.19 2bjj s ALA 11 Ca 0.25 -0.34 0.12 0.00 0.00 0.00 0.00 51.96 52.00 2bjj s ALA 11 Cb -0.15 -2.50 0.35 0.00 0.00 0.00 0.00 23.12 20.82 2bjj s ALA 11 CO 0.12 0.21 1.28 1.33 0.00 0.00 0.00 175.76 178.70 2bjj n VAL 12 N -0.88 1.57 -3.81 0.00 0.24 -1.26 -1.55 118.33 112.65 2bjj n VAL 12 Ca 0.01 -1.45 0.02 0.00 -2.04 0.00 0.00 64.34 60.87 2bjj n VAL 12 Cb 0.54 0.14 0.01 0.00 -1.47 0.00 0.00 33.84 33.05 2bjj n VAL 12 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2bjj s SER 13 N -1.53 -0.02 -0.05 -1.34 1.04 -1.11 -4.14 113.70 106.55 2bjj s SER 13 Ca 0.28 -0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.29 2bjj s SER 13 Cb 0.20 0.15 -0.22 0.00 0.10 0.00 0.00 66.02 66.25 2bjj s SER 13 CO 0.10 -0.29 1.08 1.56 0.98 0.00 0.00 173.24 176.67 2bjj h GLN 14 N 2.00 0.08 0.00 4.02 1.08 -1.96 -2.12 115.11 118.21 2bjj h GLN 14 Ca -0.26 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 2bjj h GLN 14 Cb 1.19 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2bjj h GLN 14 CO 0.30 0.76 -0.02 -1.35 -0.95 0.00 0.00 178.83 177.57 2bjj h PRO 15 N -0.57 0.00 0.38 1.46 0.11 -1.99 0.82 132.00 132.21 2bjj h PRO 15 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2bjj h PRO 15 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2bjj h PRO 15 CO 0.02 0.02 -0.18 0.93 -0.21 0.00 0.00 178.00 178.58 2bjj h GLU 16 N 0.00 -0.49 -0.66 1.05 5.08 -1.94 -1.93 114.58 115.68 2bjj h GLU 16 Ca -0.00 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2bjj h GLU 16 Cb 0.05 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.32 2bjj h GLU 16 CO 0.00 -0.26 0.21 0.00 -1.00 0.00 0.00 179.01 177.96 2bjj h ALA 17 N -0.04 0.85 -0.20 3.43 0.00 -0.74 0.16 119.26 122.72 2bjj h ALA 17 Ca -0.05 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2bjj h ALA 17 Cb 0.46 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2bjj h ALA 17 CO 0.09 -0.25 -0.21 1.15 0.00 0.00 0.00 179.25 180.02 2bjj h THR 18 N 0.35 0.45 -0.44 0.00 2.02 -0.77 0.19 112.91 114.71 2bjj h THR 18 Ca 0.35 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.46 2bjj h THR 18 Cb 0.51 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2bjj h THR 18 CO -0.39 0.00 -0.01 0.50 0.37 0.00 0.00 175.52 175.99 2bjj h LYS 19 N -0.24 0.73 -0.08 6.66 3.64 -0.52 -2.29 116.57 124.47 2bjj h LYS 19 Ca 0.12 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2bjj h LYS 19 Cb 0.42 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2bjj h LYS 19 CO -0.34 0.75 -0.30 0.00 -2.27 0.00 0.00 179.45 177.28 2bjj h PHE 21 N 0.13 0.95 0.00 0.00 0.04 -0.29 -2.45 116.94 115.31 2bjj h PHE 21 Ca 0.02 -0.43 -0.06 0.00 2.80 0.00 0.00 57.97 60.30 2bjj h PHE 21 Cb 0.61 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2bjj h PHE 21 CO 0.01 1.24 -0.30 -0.56 -0.60 0.00 0.00 178.31 178.10 2bjj h GLN 22 N 0.47 0.00 -0.15 1.51 3.07 -1.11 -2.27 115.11 116.63 2bjj h GLN 22 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 2bjj h GLN 22 Cb 1.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.96 2bjj h GLN 22 CO 0.16 0.30 0.01 2.35 0.09 0.00 0.00 178.83 181.73 2bjj h TRP 23 N 0.00 0.29 -0.43 0.06 7.01 -1.03 -2.98 115.95 118.87 2bjj h TRP 23 Ca -0.00 -0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.04 2bjj h TRP 23 Cb 1.15 -0.08 -0.09 0.00 -2.10 0.00 0.00 29.16 28.04 2bjj h TRP 23 CO 0.00 0.47 -0.18 0.37 -2.79 0.00 0.00 178.44 176.31 2bjj h GLN 24 N 0.02 -0.09 -0.12 2.65 4.15 -0.92 -1.51 115.11 119.29 2bjj h GLN 24 Ca 0.04 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 2bjj h GLN 24 Cb 0.35 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2bjj h GLN 24 CO 0.01 -0.06 -0.55 0.07 -1.93 0.00 0.00 178.83 176.37 2bjj h ARG 25 N -0.09 0.34 0.00 1.69 0.11 -1.53 -2.60 114.38 112.30 2bjj h ARG 25 Ca 0.21 -0.21 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2bjj h ARG 25 Cb 0.42 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 2bjj h ARG 25 CO -0.50 0.80 -0.17 -0.91 0.10 0.00 0.00 179.97 179.29 2bjj h ASN 26 N 0.26 0.00 0.12 0.08 -0.26 -1.28 0.16 115.58 114.67 2bjj h ASN 26 Ca 0.00 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.45 2bjj h ASN 26 Cb 1.05 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.33 2bjj h ASN 26 CO 0.09 0.17 -1.23 0.24 -1.06 0.00 0.00 177.43 175.65 2bjj h MET 27 N 0.00 0.63 -0.23 0.81 2.86 -1.09 -2.31 114.93 115.61 2bjj h MET 27 Ca -0.00 -0.82 -0.03 0.00 -2.06 0.00 0.00 59.70 56.78 2bjj h MET 27 Cb 0.59 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2bjj h MET 27 CO 0.02 1.37 0.01 -0.09 1.06 0.00 0.00 176.91 179.29 2bjj h ARG 28 N 0.29 0.40 -0.11 1.72 2.43 -1.18 0.48 114.38 118.42 2bjj h ARG 28 Ca -0.18 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2bjj h ARG 28 Cb 1.90 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2bjj h ARG 28 CO 0.24 0.57 0.05 -0.09 -1.51 0.00 0.00 179.97 179.23 2bjj h ARG 29 N 0.19 0.16 0.00 0.20 1.12 -0.77 -0.87 114.38 114.41 2bjj h ARG 29 Ca 0.07 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2bjj h ARG 29 Cb 0.38 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2bjj h ARG 29 CO 0.01 0.23 0.00 0.28 -3.11 0.00 0.00 179.97 177.38 2bjj n VAL 30 N -4.93 0.00 -0.95 0.20 0.31 -0.87 -4.89 118.33 107.20 2bjj n VAL 30 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2bjj n VAL 30 Cb 0.09 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2bjj n VAL 30 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2bjj n ARG 31 N -0.96 -0.05 -0.52 5.55 3.00 -0.33 -5.02 116.66 118.32 2bjj n ARG 31 Ca 0.20 0.01 -0.18 0.00 -0.00 0.00 0.00 57.85 57.88 2bjj n ARG 31 Cb 0.09 -2.83 0.16 0.00 0.00 0.00 0.00 32.46 29.88 2bjj n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bjj n GLY 32 N -2.11 -2.93 3.75 5.14 0.00 0.16 -4.92 105.19 104.28 2bjj n GLY 32 Ca 0.00 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 2bjj n GLY 32 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bjj s PRO 33 N -4.47 3.28 0.15 1.61 0.02 -1.26 -4.53 135.00 129.80 2bjj s PRO 33 Ca 0.43 2.21 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 2bjj s PRO 33 Cb -0.05 -2.32 -0.07 0.00 0.02 0.00 0.00 34.50 32.08 2bjj s PRO 33 CO 0.34 -1.07 0.96 -1.25 -0.33 0.00 0.00 177.00 175.64 2bjj s PRO 34 N -2.82 4.74 -0.05 5.54 0.04 -1.26 -4.75 135.00 136.43 2bjj s PRO 34 Ca 0.69 1.48 0.03 0.00 0.04 0.00 0.00 61.00 63.24 2bjj s PRO 34 Cb -0.40 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2bjj s PRO 34 CO 0.47 0.30 -0.15 0.54 0.04 0.00 0.00 177.00 178.20 2bjj s VAL 35 N -0.37 1.33 0.25 -0.36 0.11 -1.26 -2.11 120.40 117.98 2bjj s VAL 35 Ca 0.45 -0.63 0.10 0.00 -2.93 0.00 0.00 61.98 58.97 2bjj s VAL 35 Cb -0.24 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2bjj s VAL 35 CO 0.31 0.39 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.45 2bjj s SER 36 N 0.30 4.22 -0.02 3.54 1.04 0.41 -4.54 113.70 118.66 2bjj s SER 36 Ca -0.09 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.66 2bjj s SER 36 Cb -0.13 -0.67 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 2bjj s SER 36 CO 0.03 0.04 -0.13 0.00 0.98 0.00 0.00 173.24 174.16 2bjj s ILE 38 N -0.83 2.11 -0.07 0.00 1.09 0.22 -4.90 121.20 118.81 2bjj s ILE 38 Ca 0.13 -2.05 0.03 0.00 -1.10 0.00 0.00 60.65 57.67 2bjj s ILE 38 Cb -0.11 -2.03 0.00 0.00 -1.06 0.00 0.00 42.46 39.27 2bjj s ILE 38 CO 0.03 -0.27 -0.18 -0.75 -0.10 0.00 0.00 174.94 173.67 2bjj s LYS 39 N -2.91 2.20 0.20 2.79 2.36 -1.26 -1.34 119.74 121.77 2bjj s LYS 39 Ca 0.20 -0.63 0.04 0.00 -2.55 0.00 0.00 55.97 53.03 2bjj s LYS 39 Cb -0.06 -1.77 -0.02 0.00 -1.05 0.00 0.00 37.83 34.94 2bjj s LYS 39 CO 0.09 0.14 0.15 0.54 1.55 0.00 0.00 175.35 177.82 2bjj n ARG 40 N 3.53 0.32 -0.00 4.03 5.12 -0.59 -4.96 116.66 124.11 2bjj n ARG 40 Ca -0.20 -1.91 0.05 0.00 -1.93 0.00 0.00 57.85 53.86 2bjj n ARG 40 Cb 0.52 1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 33.21 2bjj n ARG 40 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2bjj n ASP 41 N -2.16 2.55 -4.00 0.55 8.00 -1.26 -2.74 116.55 117.48 2bjj n ASP 41 Ca 0.03 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.45 2bjj n ASP 41 Cb 0.34 1.48 -0.09 0.00 -0.02 0.00 0.00 41.12 42.84 2bjj n ASP 41 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2bjj s SER 42 N -3.22 0.33 0.21 -2.24 1.04 -1.26 -4.76 113.70 103.82 2bjj s SER 42 Ca -0.04 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.48 2bjj s SER 42 Cb 0.07 0.24 0.31 0.00 0.10 0.00 0.00 66.02 66.75 2bjj s SER 42 CO 0.44 -0.62 1.72 -0.65 0.98 0.00 0.00 173.24 175.11 2bjj h PRO 43 N 3.12 0.32 -0.70 4.02 0.11 -1.92 -1.23 132.00 135.72 2bjj h PRO 43 Ca -0.34 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.82 2bjj h PRO 43 Cb 1.17 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 2bjj h PRO 43 CO 0.61 0.21 0.39 0.82 -0.21 0.00 0.00 178.00 179.82 2bjj h ILE 44 N 0.33 0.96 -0.84 4.15 1.08 -1.98 0.17 117.51 121.37 2bjj h ILE 44 Ca 0.33 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2bjj h ILE 44 Cb 0.47 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 2bjj h ILE 44 CO -0.38 0.13 0.40 1.56 -0.69 0.00 0.00 178.15 179.18 2bjj h GLN 45 N 0.71 1.22 -0.71 2.37 4.20 -1.81 0.74 115.11 121.83 2bjj h GLN 45 Ca 0.31 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2bjj h GLN 45 Cb 0.20 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2bjj h GLN 45 CO -0.19 0.93 0.19 0.00 -0.67 0.00 0.00 178.83 179.09 2bjj h ILE 47 N 1.06 1.26 -0.03 0.00 2.04 -0.26 -1.55 117.51 120.04 2bjj h ILE 47 Ca 0.22 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2bjj h ILE 47 Cb 0.36 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2bjj h ILE 47 CO -0.00 0.27 0.00 1.56 0.00 0.00 0.00 178.15 179.98 2bjj h GLN 48 N 1.27 0.04 -0.49 2.37 4.20 -0.71 -2.55 115.11 119.24 2bjj h GLN 48 Ca 0.33 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.12 2bjj h GLN 48 Cb -0.04 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 2bjj h GLN 48 CO -0.06 0.32 -0.10 0.00 -0.67 0.00 0.00 178.83 178.32 2bjj h ALA 49 N 0.72 0.35 -0.77 3.87 0.00 -0.62 -2.48 119.26 120.33 2bjj h ALA 49 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2bjj h ALA 49 Cb 0.30 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2bjj h ALA 49 CO 0.00 -0.43 0.45 0.82 0.00 0.00 0.00 179.25 180.09 2bjj h ILE 50 N 0.02 1.22 0.00 0.00 2.04 -1.32 0.17 117.51 119.65 2bjj h ILE 50 Ca 0.24 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2bjj h ILE 50 Cb 0.37 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2bjj h ILE 50 CO -0.49 0.24 -0.08 0.00 0.00 0.00 0.00 178.15 177.82 2bjj h ALA 51 N 1.24 1.04 -0.80 1.87 0.00 -1.02 -2.83 119.26 118.76 2bjj h ALA 51 Ca 0.28 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.55 2bjj h ALA 51 Cb -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 17.42 2bjj h ALA 51 CO -0.05 0.10 -0.17 -0.85 0.00 0.00 0.00 179.25 178.28 2bjj n GLU 52 N -3.25 3.13 -2.48 0.00 0.28 -1.01 -4.97 120.64 112.34 2bjj n GLU 52 Ca -0.00 -3.78 -0.05 0.00 -0.16 0.00 0.00 57.16 53.17 2bjj n GLU 52 Cb 0.32 -2.24 -0.00 0.00 1.43 0.00 0.00 31.44 30.95 2bjj n GLU 52 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2bjj n ASN 53 N -0.82 -2.26 -0.77 -1.84 3.02 -1.07 -4.78 115.26 106.74 2bjj n ASN 53 Ca 0.50 0.37 0.12 0.00 -0.03 0.00 0.00 54.58 55.53 2bjj n ASN 53 Cb 0.87 -2.01 0.13 0.00 -0.61 0.00 0.00 39.78 38.16 2bjj n ASN 53 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2bjj n ARG 54 N -2.63 1.92 -3.54 3.52 1.74 0.03 -4.95 116.66 112.74 2bjj n ARG 54 Ca -0.06 -1.54 -0.11 0.00 -0.77 0.00 0.00 57.85 55.37 2bjj n ARG 54 Cb 0.55 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 2bjj n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bjj s ALA 55 N -2.14 -1.47 -0.23 7.54 0.00 -1.15 -4.86 121.76 119.45 2bjj s ALA 55 Ca 0.26 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2bjj s ALA 55 Cb 0.20 0.88 -0.14 0.00 0.00 0.00 0.00 23.12 24.05 2bjj s ALA 55 CO 0.38 -0.83 -0.21 -0.25 0.00 0.00 0.00 175.76 174.85 2bjj n ASP 56 N -0.40 2.21 -3.73 0.00 8.00 0.28 -4.14 116.55 118.78 2bjj n ASP 56 Ca -0.14 -0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.15 2bjj n ASP 56 Cb 0.63 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 2bjj n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjj s ALA 57 N -2.45 -0.78 -0.24 2.24 0.00 -0.96 -4.39 121.76 115.18 2bjj s ALA 57 Ca -0.31 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 2bjj s ALA 57 Cb 0.08 0.35 0.09 0.00 0.00 0.00 0.00 23.12 23.64 2bjj s ALA 57 CO 0.51 -0.44 0.80 0.54 0.00 0.00 0.00 175.76 177.18 2bjj s VAL 58 N -2.62 0.00 0.05 0.00 0.11 -1.23 -0.98 120.40 115.72 2bjj s VAL 58 Ca -0.04 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.78 2bjj s VAL 58 Cb -0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 2bjj s VAL 58 CO -0.04 0.00 0.68 -0.89 -3.33 0.00 0.00 175.10 171.53 2bjj s THR 59 N 0.10 4.74 0.00 5.04 2.01 -1.26 -1.27 115.64 125.00 2bjj s THR 59 Ca -0.01 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.47 2bjj s THR 59 Cb -0.04 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2bjj s THR 59 CO 0.00 0.43 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.52 2bjj s LEU 60 N -0.40 2.05 0.82 4.42 1.43 0.03 -4.96 118.68 122.07 2bjj s LEU 60 Ca 0.34 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2bjj s LEU 60 Cb -0.20 -0.39 0.09 0.00 0.03 0.00 0.00 46.19 45.72 2bjj s LEU 60 CO 0.21 0.06 1.20 -0.62 0.23 0.00 0.00 176.35 177.43 2bjj s ASP 61 N -0.39 3.52 0.31 2.29 2.15 -1.26 -1.77 116.67 121.52 2bjj s ASP 61 Ca 0.02 2.35 0.06 0.00 0.43 0.00 0.00 52.55 55.40 2bjj s ASP 61 Cb -0.04 -2.59 0.72 0.00 -0.30 0.00 0.00 42.92 40.71 2bjj s ASP 61 CO -0.00 -2.71 1.80 1.23 -0.17 0.00 0.00 175.17 175.31 2bjj h GLY 62 N -1.00 1.68 0.53 2.66 0.00 -1.85 -0.71 103.07 104.38 2bjj h GLY 62 Ca -0.46 -0.37 0.10 0.00 0.00 0.00 0.00 47.33 46.61 2bjj h GLY 62 CO 0.46 0.00 0.57 -1.33 0.00 0.00 0.00 176.54 176.24 2bjj h GLY 63 N 0.80 1.49 1.19 4.60 0.00 -1.90 -2.11 103.07 107.14 2bjj h GLY 63 Ca 0.55 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2bjj h GLY 63 CO -0.33 0.18 -0.74 0.74 0.00 0.00 0.00 176.54 176.39 2bjj h PHE 64 N 0.95 0.00 -0.62 5.60 -1.00 -1.37 -3.09 116.94 117.40 2bjj h PHE 64 Ca 0.45 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.23 2bjj h PHE 64 Cb 0.39 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 2bjj h PHE 64 CO -0.02 0.00 0.39 0.82 -1.61 0.00 0.00 178.31 177.88 2bjj h ILE 65 N 0.00 1.18 -0.02 -0.55 2.04 -0.89 0.16 117.51 119.43 2bjj h ILE 65 Ca 0.00 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.52 2bjj h ILE 65 Cb 0.91 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2bjj h ILE 65 CO 0.00 0.18 -0.16 0.22 0.00 0.00 0.00 178.15 178.39 2bjj h TYR 66 N 0.84 -0.40 -0.46 1.37 3.20 -1.37 -2.02 116.97 118.12 2bjj h TYR 66 Ca 0.22 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.12 2bjj h TYR 66 Cb -0.05 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2bjj h TYR 66 CO -0.02 -0.23 0.30 0.93 -1.64 0.00 0.00 178.16 177.50 2bjj h GLU 67 N -0.25 0.59 0.00 1.82 4.39 -1.42 -2.78 114.58 116.94 2bjj h GLU 67 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2bjj h GLU 67 Cb 0.33 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2bjj h GLU 67 CO -0.17 0.39 -0.06 0.00 -1.16 0.00 0.00 179.01 178.01 2bjj h ALA 68 N 1.18 1.38 0.00 3.43 0.00 -0.41 -2.18 119.26 122.65 2bjj h ALA 68 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bjj h ALA 68 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bjj h ALA 68 CO -0.05 0.08 -0.48 0.41 0.00 0.00 0.00 179.25 179.21 2bjj n GLY 69 N -0.98 -1.47 3.80 0.00 0.00 -0.78 -0.75 105.19 105.00 2bjj n GLY 69 Ca -0.02 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2bjj n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bjj s LEU 70 N -4.21 3.44 0.58 0.99 1.43 -0.82 -4.09 118.68 116.00 2bjj s LEU 70 Ca 0.08 1.83 -0.20 0.00 -1.03 0.00 0.00 54.13 54.81 2bjj s LEU 70 Cb 0.13 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2bjj s LEU 70 CO 0.69 -1.29 1.28 0.00 0.23 0.00 0.00 176.35 177.26 2bjj s ALA 71 N -2.49 2.64 -0.77 4.21 0.00 -1.26 -1.12 121.76 122.97 2bjj s ALA 71 Ca 0.64 1.17 0.27 0.00 0.00 0.00 0.00 51.96 54.03 2bjj s ALA 71 Cb -0.17 -3.51 0.88 0.00 0.00 0.00 0.00 23.12 20.32 2bjj s ALA 71 CO 0.40 -1.29 1.80 -0.35 0.00 0.00 0.00 175.76 176.31 2bjj n PRO 72 N -1.37 0.22 0.14 0.00 -0.04 -1.26 -4.87 135.00 127.82 2bjj n PRO 72 Ca 0.12 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 2bjj n PRO 72 Cb 0.47 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 2bjj n PRO 72 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2bjj h TYR 73 N 0.00 -0.27 -3.51 0.54 0.05 -1.64 -3.47 116.97 108.67 2bjj h TYR 73 Ca 0.00 -0.01 -0.37 0.00 0.05 0.00 0.00 58.73 58.40 2bjj h TYR 73 Cb 0.69 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2bjj h TYR 73 CO 0.00 -0.12 -0.50 1.63 -1.05 0.00 0.00 178.16 178.12 2bjj n LYS 74 N -5.19 -2.36 -1.52 4.88 4.01 -0.28 -4.84 118.16 112.87 2bjj n LYS 74 Ca -0.09 0.88 -0.32 0.00 -0.51 0.00 0.00 58.31 58.27 2bjj n LYS 74 Cb 0.16 -5.56 0.06 0.00 -0.51 0.00 0.00 35.03 29.18 2bjj n LYS 74 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2bjj s LEU 75 N -6.06 3.19 -0.02 -0.35 1.43 0.07 -3.82 118.68 113.12 2bjj s LEU 75 Ca 0.06 1.83 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2bjj s LEU 75 Cb -0.03 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 2bjj s LEU 75 CO 0.07 -1.74 -0.12 -0.60 0.23 0.00 0.00 176.35 174.19 2bjj s ARG 76 N -4.63 1.09 0.11 1.70 3.52 0.72 -4.14 118.95 117.31 2bjj s ARG 76 Ca 0.62 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 55.49 2bjj s ARG 76 Cb -0.17 -1.02 -0.08 0.00 -1.56 0.00 0.00 34.95 32.12 2bjj s ARG 76 CO 0.50 0.22 1.35 -1.25 -0.81 0.00 0.00 175.30 175.31 2bjj s PRO 77 N -0.12 4.35 -0.06 5.12 0.04 -1.26 -0.88 135.00 142.18 2bjj s PRO 77 Ca 0.02 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2bjj s PRO 77 Cb -0.07 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.10 2bjj s PRO 77 CO 0.00 -0.39 0.08 1.33 0.04 0.00 0.00 177.00 178.06 2bjj n VAL 78 N 3.84 0.41 -3.74 -0.36 0.24 -0.13 -4.77 118.33 113.81 2bjj n VAL 78 Ca 0.11 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.96 2bjj n VAL 78 Cb 0.43 -0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 32.19 2bjj n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bjj s ALA 79 N -2.32 -0.28 0.03 2.33 0.00 -1.19 -0.86 121.76 119.47 2bjj s ALA 79 Ca -0.04 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.48 2bjj s ALA 79 Cb 0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 2bjj s ALA 79 CO 0.35 -0.18 0.42 0.00 0.00 0.00 0.00 175.76 176.36 2bjj s ALA 80 N 1.24 3.69 0.33 0.00 0.00 0.86 -0.15 121.76 127.72 2bjj s ALA 80 Ca -0.09 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 2bjj s ALA 80 Cb -0.12 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 2bjj s ALA 80 CO -0.06 0.50 1.24 -1.21 0.00 0.00 0.00 175.76 176.23 2bjj s GLU 81 N -1.34 4.38 -0.15 0.00 2.02 -0.24 -0.61 118.70 122.76 2bjj s GLU 81 Ca 0.27 2.08 -0.03 0.00 0.02 0.00 0.00 54.97 57.32 2bjj s GLU 81 Cb -0.16 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 2bjj s GLU 81 CO 0.15 -0.11 -0.06 0.08 0.02 0.00 0.00 175.26 175.33 2bjj s VAL 82 N -1.17 3.66 0.21 2.63 1.01 -0.07 -4.57 120.40 122.09 2bjj s VAL 82 Ca 0.49 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2bjj s VAL 82 Cb -0.37 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2bjj s VAL 82 CO 0.49 0.51 0.01 -1.22 0.00 0.00 0.00 175.10 174.88 2bjj n TYR 83 N 3.48 0.40 -3.24 5.22 4.01 0.25 -0.24 117.16 127.04 2bjj n TYR 83 Ca -0.18 -1.03 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 2bjj n TYR 83 Cb 0.53 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 2bjj n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bjj n GLY 84 N 2.49 0.10 3.44 2.72 0.00 -1.26 -0.56 105.19 112.12 2bjj n GLY 84 Ca -0.08 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 2bjj n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bjj s THR 85 N 0.00 2.35 0.66 2.61 -4.23 -1.09 -4.82 115.64 111.11 2bjj s THR 85 Ca 0.00 -2.31 0.41 0.00 -1.18 0.00 0.00 61.69 58.60 2bjj s THR 85 Cb 0.00 -2.23 0.42 0.00 1.34 0.00 0.00 72.50 72.03 2bjj s THR 85 CO 0.00 -0.38 2.29 1.05 -0.54 0.00 0.00 174.62 177.04 2bjj h GLU 86 N 2.48 0.00 -0.01 3.99 9.09 -1.97 0.19 114.58 128.35 2bjj h GLU 86 Ca -0.41 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.97 2bjj h GLU 86 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2bjj h GLU 86 CO 0.58 0.00 -0.12 0.00 0.05 0.00 0.00 179.01 179.52 2bjj h ARG 87 N 0.00 0.10 -2.63 1.06 3.08 -2.00 -3.40 114.38 110.59 2bjj h ARG 87 Ca 0.00 -0.09 -0.61 0.00 0.07 0.00 0.00 59.98 59.36 2bjj h ARG 87 Cb 0.11 0.02 -0.41 0.00 0.08 0.00 0.00 29.97 29.77 2bjj h ARG 87 CO -0.00 0.81 -0.66 1.04 -1.07 0.00 0.00 179.97 180.09 2bjj n GLN 88 N -4.63 1.81 -2.61 0.04 6.02 -0.19 -5.10 117.38 112.71 2bjj n GLN 88 Ca -0.09 -4.32 -0.33 0.00 -0.01 0.00 0.00 57.00 52.26 2bjj n GLN 88 Cb 0.42 -2.13 -0.05 0.00 1.02 0.00 0.00 30.24 29.50 2bjj n GLN 88 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2bjj s PRO 89 N -1.62 4.09 -0.11 -1.09 0.04 -0.12 -2.66 135.00 133.53 2bjj s PRO 89 Ca 0.32 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 2bjj s PRO 89 Cb 0.05 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2bjj s PRO 89 CO -0.12 -0.15 0.41 -0.98 0.04 0.00 0.00 177.00 176.20 2bjj s ARG 90 N -3.62 0.58 -0.50 4.56 1.70 0.27 -4.97 118.95 116.97 2bjj s ARG 90 Ca 0.60 0.35 0.03 0.00 -0.47 0.00 0.00 55.73 56.24 2bjj s ARG 90 Cb -0.09 0.27 0.58 0.00 -0.57 0.00 0.00 34.95 35.14 2bjj s ARG 90 CO 0.22 -0.11 1.90 0.25 -1.08 0.00 0.00 175.30 176.48 2bjj n THR 91 N 2.28 3.28 -4.14 4.99 -2.24 -1.26 -0.59 114.28 116.60 2bjj n THR 91 Ca -0.16 -2.38 -0.11 0.00 -2.27 0.00 0.00 64.05 59.13 2bjj n THR 91 Cb 0.57 -0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 2bjj n THR 91 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2bjj s HIS 92 N -3.48 0.91 0.27 4.78 0.00 -1.26 -1.51 115.29 115.01 2bjj s HIS 92 Ca 0.58 -1.18 0.01 0.00 -3.00 0.00 0.00 55.06 51.47 2bjj s HIS 92 Cb 0.48 -0.33 -0.00 0.00 -4.00 0.00 0.00 32.58 28.73 2bjj s HIS 92 CO 0.06 -0.75 0.34 2.48 -1.00 0.00 0.00 174.74 175.88 2bjj n TYR 93 N -0.30 -1.08 -5.16 0.38 4.11 -0.30 -4.77 117.16 110.04 2bjj n TYR 93 Ca 0.01 -1.94 -0.31 0.00 -0.00 0.00 0.00 57.90 55.66 2bjj n TYR 93 Cb 0.65 0.38 -0.17 0.00 -0.00 0.00 0.00 39.34 40.20 2bjj n TYR 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2bjj s TYR 94 N -3.28 2.32 -0.28 -3.48 1.51 -1.26 -0.59 117.35 112.29 2bjj s TYR 94 Ca 0.25 -0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 55.31 2bjj s TYR 94 Cb -0.00 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.30 2bjj s TYR 94 CO 0.18 -0.27 0.77 0.00 -1.11 0.00 0.00 175.55 175.13 2bjj s ALA 95 N 0.04 3.57 0.27 3.71 0.00 0.10 -2.32 121.76 127.12 2bjj s ALA 95 Ca -0.08 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 51.64 2bjj s ALA 95 Cb -0.15 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2bjj s ALA 95 CO 0.05 -1.07 -0.17 0.14 0.00 0.00 0.00 175.76 174.71 2bjj s VAL 96 N 2.86 2.65 -0.37 0.00 -7.23 -0.37 -0.12 120.40 117.83 2bjj s VAL 96 Ca 0.32 -2.28 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 2bjj s VAL 96 Cb -0.15 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.47 2bjj s VAL 96 CO 0.11 -0.37 0.15 0.00 -0.31 0.00 0.00 175.10 174.68 2bjj s ALA 97 N -2.40 3.12 -0.09 1.32 0.00 -1.26 -2.08 121.76 120.36 2bjj s ALA 97 Ca 0.29 -1.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.22 2bjj s ALA 97 Cb -0.06 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2bjj s ALA 97 CO 0.15 -1.46 0.25 0.08 0.00 0.00 0.00 175.76 174.78 2bjj s VAL 98 N 1.38 5.32 0.18 0.00 1.01 0.07 -0.62 120.40 127.74 2bjj s VAL 98 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2bjj s VAL 98 Cb -0.21 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2bjj s VAL 98 CO 0.02 0.57 0.06 0.68 0.00 0.00 0.00 175.10 176.42 2bjj s VAL 99 N -0.76 0.36 0.31 2.92 -7.23 -0.26 -1.30 120.40 114.44 2bjj s VAL 99 Ca 0.18 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 2bjj s VAL 99 Cb -0.14 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 2bjj s VAL 99 CO 0.07 -0.32 0.90 -0.54 -0.31 0.00 0.00 175.10 174.89 2bjj s LYS 100 N -4.02 4.49 0.23 4.82 1.02 -1.26 -1.48 119.74 123.54 2bjj s LYS 100 Ca 0.28 1.22 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 2bjj s LYS 100 Cb 0.07 -2.78 -0.10 0.00 -0.52 0.00 0.00 37.83 34.51 2bjj s LYS 100 CO 0.06 0.28 1.45 0.21 -0.92 0.00 0.00 175.35 176.43 2bjj s LYS 101 N -2.11 4.27 0.00 1.68 2.20 0.80 -4.11 119.74 122.46 2bjj s LYS 101 Ca 0.49 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2bjj s LYS 101 Cb -0.18 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2bjj s LYS 101 CO 0.22 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 2bjj n GLY 102 N 2.48 0.99 3.75 5.54 0.00 -1.26 -4.98 105.19 111.72 2bjj n GLY 102 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2bjj n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bjj s GLY 103 N -1.01 1.98 -0.00 -0.02 0.00 -1.26 -5.06 107.32 101.95 2bjj s GLY 103 Ca 0.00 -1.84 0.13 0.00 0.00 0.00 0.00 44.72 43.01 2bjj s GLY 103 CO 0.00 -1.75 0.47 1.44 0.00 0.00 0.00 173.10 173.26 2bjj n SER 104 N -1.20 0.98 -4.74 1.64 7.64 -1.26 -5.04 113.62 111.64 2bjj n SER 104 Ca -0.02 -0.58 -0.36 0.00 1.01 0.00 0.00 58.87 58.92 2bjj n SER 104 Cb 0.61 1.16 0.05 0.00 -1.01 0.00 0.00 64.21 65.03 2bjj n SER 104 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2bjj s PHE 105 N -2.39 2.28 0.53 1.43 -0.12 -1.26 -5.04 117.98 113.42 2bjj s PHE 105 Ca 0.02 1.52 0.01 0.00 -0.05 0.00 0.00 56.93 58.44 2bjj s PHE 105 Cb 0.09 -3.51 0.01 0.00 -0.63 0.00 0.00 43.02 38.98 2bjj s PHE 105 CO 0.53 -2.40 0.10 -0.65 -0.05 0.00 0.00 175.22 172.75 2bjj s GLN 106 N -3.45 2.23 0.56 1.99 -1.52 -1.26 -4.99 119.66 113.22 2bjj s GLN 106 Ca 0.78 -2.35 0.25 0.00 -1.95 0.00 0.00 55.36 52.08 2bjj s GLN 106 Cb -0.31 -1.65 1.54 0.00 -0.22 0.00 0.00 33.01 32.36 2bjj s GLN 106 CO 0.36 -0.47 2.13 1.25 -0.25 0.00 0.00 175.29 178.31 2bjj h LEU 107 N 1.14 0.00 -0.72 2.90 5.85 -1.88 -1.34 115.31 121.26 2bjj h LEU 107 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2bjj h LEU 107 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2bjj h LEU 107 CO 0.69 0.00 -0.13 -0.46 -0.34 0.00 0.00 178.44 178.21 2bjj n ASN 108 N -4.12 1.25 -2.11 1.25 6.94 -1.26 -4.15 115.26 113.06 2bjj n ASN 108 Ca 0.01 -1.19 -0.27 0.00 -0.02 0.00 0.00 54.58 53.11 2bjj n ASN 108 Cb 0.25 0.06 0.04 0.00 -2.36 0.00 0.00 39.78 37.78 2bjj n ASN 108 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2bjj n GLU 109 N -0.25 3.26 0.00 -3.83 1.02 -0.51 -4.72 120.64 115.62 2bjj n GLU 109 Ca 0.16 -3.84 0.11 0.00 -0.02 0.00 0.00 57.16 53.56 2bjj n GLU 109 Cb 0.35 -2.27 0.10 0.00 -0.02 0.00 0.00 31.44 29.60 2bjj n GLU 109 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2bjj n LEU 110 N -0.79 0.90 -4.77 -4.62 4.77 -1.26 -4.67 117.00 106.56 2bjj n LEU 110 Ca 0.50 -0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2bjj n LEU 110 Cb 0.86 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 2bjj n LEU 110 CO 0.53 0.21 1.13 -1.58 -1.33 0.00 0.00 177.39 176.35 2bjj s GLN 111 N -2.89 4.16 0.00 3.23 0.74 -1.26 -1.82 119.66 121.82 2bjj s GLN 111 Ca 0.12 2.50 0.00 0.00 0.05 0.00 0.00 55.36 58.03 2bjj s GLN 111 Cb 0.17 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.28 2bjj s GLN 111 CO 0.73 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 2bjj n GLY 112 N 0.99 1.46 3.92 2.59 0.00 0.90 -4.96 105.19 110.08 2bjj n GLY 112 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2bjj n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bjj s LEU 113 N 0.00 2.62 -0.04 0.99 1.02 -0.75 -3.59 118.68 118.93 2bjj s LEU 113 Ca 0.00 0.50 0.01 0.00 0.02 0.00 0.00 54.13 54.66 2bjj s LEU 113 Cb 0.00 -2.76 -0.03 0.00 0.02 0.00 0.00 46.19 43.42 2bjj s LEU 113 CO 0.00 -2.33 -0.03 -0.54 0.02 0.00 0.00 176.35 173.47 2bjj s LYS 114 N -5.73 2.79 0.03 1.70 1.02 -1.26 -1.57 119.74 116.72 2bjj s LYS 114 Ca 0.68 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 56.17 2bjj s LYS 114 Cb -0.07 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 2bjj s LYS 114 CO 0.51 0.65 -0.16 -1.54 -0.92 0.00 0.00 175.35 173.89 2bjj s SER 115 N -1.17 1.95 -0.23 2.83 1.04 -0.75 -0.15 113.70 117.23 2bjj s SER 115 Ca 0.16 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 2bjj s SER 115 Cb -0.11 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 2bjj s SER 115 CO 0.05 0.11 -0.04 0.00 0.98 0.00 0.00 173.24 174.35 2bjj s HIS 117 N 1.46 2.52 0.28 0.00 3.76 -0.69 -0.97 115.29 121.64 2bjj s HIS 117 Ca 0.05 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2bjj s HIS 117 Cb -0.15 -1.30 0.39 0.00 1.11 0.00 0.00 32.58 32.63 2bjj s HIS 117 CO -0.03 0.42 1.78 1.79 -0.85 0.00 0.00 174.74 177.85 2bjj h THR 118 N 3.36 1.23 0.00 1.30 1.35 -1.75 -3.41 112.91 114.99 2bjj h THR 118 Ca -0.49 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2bjj h THR 118 Cb 1.18 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2bjj h THR 118 CO 0.48 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 2bjj n GLY 119 N -0.67 2.83 3.76 5.82 0.00 -1.26 -1.27 105.19 114.39 2bjj n GLY 119 Ca 0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2bjj n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bjj s LEU 120 N 0.00 4.35 0.00 0.99 2.96 -0.07 -2.76 118.68 124.15 2bjj s LEU 120 Ca 0.00 2.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.81 2bjj s LEU 120 Cb 0.00 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2bjj s LEU 120 CO 0.00 -0.84 0.00 0.54 -1.32 0.00 0.00 176.35 174.73 2bjj n ARG 121 N 1.83 -0.12 -2.57 1.98 1.74 -1.26 -4.99 116.66 113.27 2bjj n ARG 121 Ca 0.06 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.86 2bjj n ARG 121 Cb 0.39 -3.41 -0.03 0.00 -1.02 0.00 0.00 32.46 28.39 2bjj n ARG 121 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bjj s ARG 122 N -0.48 3.86 0.02 5.56 0.52 -1.11 -4.10 118.95 123.21 2bjj s ARG 122 Ca 0.00 0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 55.86 2bjj s ARG 122 Cb 0.00 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 2bjj s ARG 122 CO 0.00 -0.18 1.12 1.15 0.02 0.00 0.00 175.30 177.41 2bjj h THR 123 N 0.93 0.00 0.00 0.02 2.02 -1.93 0.63 112.91 114.58 2bjj h THR 123 Ca -0.47 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.51 2bjj h THR 123 Cb 1.19 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2bjj h THR 123 CO 0.62 0.00 -0.97 0.00 0.37 0.00 0.00 175.52 175.55 2bjj h ALA 124 N -1.71 0.41 0.00 6.16 0.00 -1.90 -1.88 119.26 120.34 2bjj h ALA 124 Ca -0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 2bjj h ALA 124 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bjj h ALA 124 CO 0.01 1.19 -0.52 0.78 0.00 0.00 0.00 179.25 180.71 2bjj h GLY 125 N 2.82 0.00 0.00 0.00 0.00 -1.66 -3.37 103.07 100.86 2bjj h GLY 125 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2bjj h GLY 125 CO 0.13 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.54 2bjj n TRP 126 N -3.33 -1.86 0.03 5.60 -0.00 -0.07 -4.32 117.44 113.49 2bjj n TRP 126 Ca 0.01 0.33 -0.11 0.00 -0.00 0.00 0.00 57.50 57.73 2bjj n TRP 126 Cb 0.69 0.49 -0.06 0.00 -0.00 0.00 0.00 31.31 32.43 2bjj n TRP 126 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2bjj h ASN 127 N 0.00 -0.14 0.36 5.87 2.35 -0.84 -0.56 115.58 122.63 2bjj h ASN 127 Ca 0.00 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2bjj h ASN 127 Cb 0.00 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2bjj h ASN 127 CO 0.00 -0.07 -0.17 0.58 -1.65 0.00 0.00 177.43 176.12 2bjj h VAL 128 N -0.07 0.61 -0.46 2.81 2.07 -1.59 -1.60 116.25 118.03 2bjj h VAL 128 Ca 0.03 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2bjj h VAL 128 Cb 0.11 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2bjj h VAL 128 CO -0.07 0.09 0.26 -0.65 0.02 0.00 0.00 177.57 177.22 2bjj h PRO 129 N -0.80 0.51 -0.26 1.57 0.11 -1.77 0.34 132.00 131.70 2bjj h PRO 129 Ca -0.05 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 2bjj h PRO 129 Cb 0.52 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2bjj h PRO 129 CO 0.08 0.34 -0.29 0.82 -0.21 0.00 0.00 178.00 178.73 2bjj h ILE 130 N 0.52 1.28 -0.17 4.15 1.08 -1.16 -0.36 117.51 122.85 2bjj h ILE 130 Ca 0.19 -1.37 -0.17 0.00 -0.39 0.00 0.00 64.86 63.13 2bjj h ILE 130 Cb 0.03 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 2bjj h ILE 130 CO -0.10 0.43 -0.58 1.23 -0.69 0.00 0.00 178.15 178.45 2bjj h GLY 131 N 1.03 0.60 1.42 5.37 0.00 -0.91 -1.91 103.07 108.67 2bjj h GLY 131 Ca 0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 2bjj h GLY 131 CO 0.06 0.64 -0.16 -0.84 0.00 0.00 0.00 176.54 176.24 2bjj h THR 132 N 0.41 1.26 -0.01 4.70 2.02 -0.65 -3.18 112.91 117.47 2bjj h THR 132 Ca 0.00 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2bjj h THR 132 Cb 1.13 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2bjj h THR 132 CO 0.11 0.40 -0.30 0.18 0.37 0.00 0.00 175.52 176.28 2bjj n LEU 133 N -4.15 0.95 -0.33 2.58 4.77 -0.17 -4.51 117.00 116.14 2bjj n LEU 133 Ca 0.01 -0.23 0.07 0.00 -0.03 0.00 0.00 56.01 55.84 2bjj n LEU 133 Cb 0.38 -0.14 0.17 0.00 -2.33 0.00 0.00 43.42 41.50 2bjj n LEU 133 CO 0.43 0.18 0.72 -0.09 -1.33 0.00 0.00 177.39 177.30 2bjj h ARG 134 N 1.02 0.01 0.00 3.23 2.43 -1.33 -1.23 114.38 118.51 2bjj h ARG 134 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bjj h ARG 134 Cb 0.51 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2bjj h ARG 134 CO 0.00 0.01 0.00 -0.35 -1.51 0.00 0.00 179.97 178.12 2bjj n PRO 135 N -5.55 0.08 0.00 0.20 -0.04 -1.26 -1.82 135.00 126.61 2bjj n PRO 135 Ca 0.17 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.20 2bjj n PRO 135 Cb 0.55 -1.70 0.22 0.00 -0.04 0.00 0.00 33.50 32.53 2bjj n PRO 135 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bjj n PHE 136 N -1.86 0.00 0.46 0.54 3.72 -0.46 -4.47 117.46 115.39 2bjj n PHE 136 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2bjj n PHE 136 Cb 0.10 -0.12 0.14 0.00 -0.94 0.00 0.00 39.48 38.66 2bjj n PHE 136 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2bjj h LEU 137 N 0.96 0.00 -1.35 4.37 3.38 -1.43 -3.48 115.31 117.77 2bjj h LEU 137 Ca 0.00 -0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.30 2bjj h LEU 137 Cb 0.55 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 2bjj h LEU 137 CO 0.00 0.08 -0.83 0.59 0.09 0.00 0.00 178.44 178.37 2bjj n ASN 138 N -2.27 -2.69 -4.72 -0.43 3.02 -1.26 -4.90 115.26 102.02 2bjj n ASN 138 Ca 0.03 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 2bjj n ASN 138 Cb 0.47 -3.25 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 2bjj n ASN 138 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2bjj s TRP 139 N -3.51 3.64 0.07 3.10 -0.00 -1.26 -4.95 118.94 116.02 2bjj s TRP 139 Ca 0.45 1.47 0.21 0.00 -0.00 0.00 0.00 56.10 58.24 2bjj s TRP 139 Cb -0.24 -2.94 0.68 0.00 -0.00 0.00 0.00 33.47 30.97 2bjj s TRP 139 CO 0.88 0.07 1.72 1.15 -0.00 0.00 0.00 176.95 180.78 2bjj h THR 140 N 4.69 0.67 0.00 5.86 2.02 -1.92 -3.47 112.91 120.76 2bjj h THR 140 Ca -0.41 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.35 2bjj h THR 140 Cb 1.21 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 2bjj h THR 140 CO 0.75 0.30 0.00 0.61 0.37 0.00 0.00 175.52 177.55 2bjj n GLY 141 N 0.41 1.37 3.41 2.16 0.00 -1.26 -4.86 105.19 106.41 2bjj n GLY 141 Ca 0.01 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2bjj n GLY 141 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bjj n PRO 142 N 1.35 -0.01 0.00 1.61 -0.04 -1.26 -3.17 135.00 133.48 2bjj n PRO 142 Ca 0.00 0.04 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 2bjj n PRO 142 Cb 0.00 -1.78 0.74 0.00 -0.04 0.00 0.00 33.50 32.43 2bjj n PRO 142 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2bjj n PRO 143 N -0.95 0.46 -2.49 0.54 -0.04 -1.26 -4.98 135.00 126.27 2bjj n PRO 143 Ca 0.08 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 2bjj n PRO 143 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2bjj n PRO 143 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2bjj s GLU 144 N -2.56 4.29 0.62 0.54 -1.05 -1.19 -4.99 118.70 114.37 2bjj s GLU 144 Ca 0.29 1.61 -0.18 0.00 -0.15 0.00 0.00 54.97 56.53 2bjj s GLU 144 Cb 0.20 -3.65 -0.02 0.00 -0.44 0.00 0.00 34.13 30.22 2bjj s GLU 144 CO 0.46 -0.57 1.27 -1.25 0.95 0.00 0.00 175.26 176.12 2bjj s PRO 145 N 2.87 2.72 0.59 -4.83 0.04 -1.26 -4.65 135.00 130.49 2bjj s PRO 145 Ca 0.53 1.99 0.36 0.00 0.04 0.00 0.00 61.00 63.92 2bjj s PRO 145 Cb -0.22 -1.89 1.88 0.00 0.04 0.00 0.00 34.50 34.31 2bjj s PRO 145 CO 0.17 -1.44 2.20 0.97 0.04 0.00 0.00 177.00 178.93 2bjj h ILE 146 N 0.70 0.24 -0.65 0.56 2.10 -1.94 -2.45 117.51 116.06 2bjj h ILE 146 Ca -0.51 -0.25 0.11 0.00 1.08 0.00 0.00 64.86 65.29 2bjj h ILE 146 Cb 1.32 1.19 -0.08 0.00 -1.09 0.00 0.00 36.82 38.17 2bjj h ILE 146 CO 0.54 0.03 0.25 -0.33 -1.08 0.00 0.00 178.15 177.56 2bjj h GLU 147 N 0.00 0.41 -0.67 2.19 3.07 -1.97 -1.75 114.58 115.86 2bjj h GLU 147 Ca -0.00 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.87 2bjj h GLU 147 Cb 0.19 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 2bjj h GLU 147 CO 0.00 0.27 0.41 0.00 -1.40 0.00 0.00 179.01 178.30 2bjj h ALA 148 N 1.45 0.88 -0.76 3.43 0.00 -1.80 0.48 119.26 122.95 2bjj h ALA 148 Ca 0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2bjj h ALA 148 Cb 0.44 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2bjj h ALA 148 CO -0.33 0.17 0.47 0.00 0.00 0.00 0.00 179.25 179.55 2bjj h ALA 149 N 1.30 1.01 0.00 0.00 0.00 -1.45 -2.69 119.26 117.43 2bjj h ALA 149 Ca 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2bjj h ALA 149 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2bjj h ALA 149 CO -0.12 0.22 -0.45 -0.24 0.00 0.00 0.00 179.25 178.66 2bjj h VAL 150 N 0.88 0.86 -0.38 0.00 3.04 -0.76 -2.73 116.25 117.16 2bjj h VAL 150 Ca 0.32 -1.96 -0.04 0.00 -1.01 0.00 0.00 66.70 64.01 2bjj h VAL 150 Cb 0.09 2.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 2bjj h VAL 150 CO -0.14 0.44 0.08 0.00 -1.01 0.00 0.00 177.57 176.94 2bjj h ALA 151 N 1.55 1.42 0.00 3.17 0.00 -0.62 -1.94 119.26 122.84 2bjj h ALA 151 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bjj h ALA 151 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2bjj h ALA 151 CO 0.06 0.42 -0.31 0.00 0.00 0.00 0.00 179.25 179.41 2bjj h ARG 152 N 0.56 0.00 0.00 0.00 3.08 -1.35 -3.40 114.38 113.27 2bjj h ARG 152 Ca 0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2bjj h ARG 152 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2bjj h ARG 152 CO -0.00 0.00 -0.53 0.35 -1.07 0.00 0.00 179.97 178.72 2bjj h PHE 153 N 0.00 0.00 -3.40 3.04 3.57 -1.06 -3.46 116.94 115.64 2bjj h PHE 153 Ca 0.00 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 2bjj h PHE 153 Cb 0.78 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2bjj h PHE 153 CO 0.00 0.88 -0.04 -0.06 -2.23 0.00 0.00 178.31 176.86 2bjj s PHE 154 N -2.17 3.60 0.27 0.41 0.08 -0.96 -0.07 117.98 119.14 2bjj s PHE 154 Ca -0.19 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.00 2bjj s PHE 154 Cb 0.01 -2.42 0.38 0.00 -0.57 0.00 0.00 43.02 40.42 2bjj s PHE 154 CO 0.48 0.39 1.71 0.66 -0.10 0.00 0.00 175.22 178.36 2bjj h SER 155 N 3.42 0.54 -4.83 1.36 4.64 -1.34 -3.45 113.55 113.88 2bjj h SER 155 Ca -0.48 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 60.58 2bjj h SER 155 Cb 1.19 -0.15 -0.20 0.00 -0.31 0.00 0.00 62.40 62.94 2bjj h SER 155 CO 0.66 0.77 0.02 0.00 -0.87 0.00 0.00 176.83 177.41 2bjj s ALA 156 N -4.54 -1.44 0.04 5.18 0.00 -1.26 -5.00 121.76 114.75 2bjj s ALA 156 Ca -0.07 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 2bjj s ALA 156 Cb 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2bjj s ALA 156 CO 0.80 -0.32 0.23 -1.12 0.00 0.00 0.00 175.76 175.35 2bjj s SER 157 N -1.00 -0.02 -0.29 0.00 0.01 -0.83 -1.81 113.70 109.75 2bjj s SER 157 Ca -0.10 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 2bjj s SER 157 Cb -0.02 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.54 2bjj s SER 157 CO 0.07 -0.58 0.05 0.00 0.41 0.00 0.00 173.24 173.19 2bjj s VAL 159 N 1.43 1.98 0.12 0.00 1.01 0.10 -1.71 120.40 123.34 2bjj s VAL 159 Ca 0.01 -3.61 -0.35 0.00 0.00 0.00 0.00 61.98 58.03 2bjj s VAL 159 Cb -0.18 -2.32 -0.16 0.00 0.00 0.00 0.00 36.38 33.72 2bjj s VAL 159 CO 0.01 -1.06 1.23 -2.65 0.00 0.00 0.00 175.10 172.62 2bjj n PRO 160 N 2.41 1.07 -0.26 2.72 -0.02 -1.26 -1.34 135.00 138.32 2bjj n PRO 160 Ca 0.21 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2bjj n PRO 160 Cb 0.39 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2bjj n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjj n GLY 161 N 2.22 0.81 3.81 -1.23 0.00 -0.53 -0.90 105.19 109.36 2bjj n GLY 161 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2bjj n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjj s ALA 162 N -2.62 2.52 -0.61 4.61 0.00 -0.45 -4.89 121.76 120.32 2bjj s ALA 162 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 2bjj s ALA 162 Cb 0.00 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2bjj s ALA 162 CO 0.00 -1.42 1.09 0.34 0.00 0.00 0.00 175.76 175.77 2bjj s ASP 163 N -3.72 6.32 0.53 0.00 -1.08 -1.26 -4.88 116.67 112.58 2bjj s ASP 163 Ca 0.59 -0.29 0.23 0.00 -0.52 0.00 0.00 52.55 52.55 2bjj s ASP 163 Cb -0.15 -2.49 1.38 0.00 -1.46 0.00 0.00 42.92 40.20 2bjj s ASP 163 CO 0.55 -1.45 2.05 0.50 0.52 0.00 0.00 175.17 177.35 2bjj h LYS 164 N 9.55 0.00 0.10 4.34 3.64 -1.93 0.34 116.57 132.61 2bjj h LYS 164 Ca -0.26 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.91 2bjj h LYS 164 Cb 1.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2bjj h LYS 164 CO 1.17 0.00 -0.99 0.78 -2.27 0.00 0.00 179.45 178.14 2bjj h GLY 165 N 0.00 0.25 1.57 5.01 0.00 -1.96 -2.77 103.07 105.18 2bjj h GLY 165 Ca 0.16 -0.64 -0.21 0.00 0.00 0.00 0.00 47.33 46.63 2bjj h GLY 165 CO -0.00 0.56 -0.88 1.46 0.00 0.00 0.00 176.54 177.68 2bjj h GLN 166 N -0.47 0.39 -2.04 4.80 4.20 -1.93 -3.40 115.11 116.67 2bjj h GLN 166 Ca -0.20 -0.39 -0.52 0.00 0.06 0.00 0.00 58.65 57.59 2bjj h GLN 166 Cb 1.59 0.11 -0.41 0.00 0.30 0.00 0.00 27.48 29.07 2bjj h GLN 166 CO 0.07 1.06 -0.97 1.19 -0.67 0.00 0.00 178.83 179.51 2bjj n PHE 167 N -3.76 1.86 0.11 2.96 3.72 0.12 -4.95 117.46 117.52 2bjj n PHE 167 Ca -0.06 -3.80 0.16 0.00 -0.05 0.00 0.00 57.45 53.70 2bjj n PHE 167 Cb 0.80 -0.43 0.69 0.00 -0.94 0.00 0.00 39.48 39.60 2bjj n PHE 167 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bjj h PRO 168 N 2.97 0.00 -0.43 -1.08 0.13 -1.63 -0.06 132.00 131.90 2bjj h PRO 168 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2bjj h PRO 168 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 2bjj h PRO 168 CO 0.64 0.00 0.25 -0.97 -0.23 0.00 0.00 178.00 177.69 2bjj h ASN 169 N 0.00 0.52 0.74 1.44 -1.24 -1.92 -2.26 115.58 112.85 2bjj h ASN 169 Ca 0.15 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2bjj h ASN 169 Cb 0.61 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2bjj h ASN 169 CO -0.00 0.41 0.00 0.18 -1.29 0.00 0.00 177.43 176.73 2bjj n LEU 170 N -4.43 0.09 -0.21 0.34 4.77 -0.04 -1.97 117.00 115.55 2bjj n LEU 170 Ca 0.03 0.52 0.03 0.00 -0.03 0.00 0.00 56.01 56.56 2bjj n LEU 170 Cb 0.09 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.71 2bjj n LEU 170 CO 0.36 -0.18 0.36 0.00 -1.33 0.00 0.00 177.39 176.59 2bjj h ARG 172 N 0.99 1.13 -0.00 0.00 2.43 -1.03 -2.41 114.38 115.50 2bjj h ARG 172 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2bjj h ARG 172 Cb 0.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2bjj h ARG 172 CO 0.00 0.99 -0.01 1.28 -1.51 0.00 0.00 179.97 180.72 2bjj n LEU 173 N -4.23 0.03 -4.73 3.80 4.77 -0.59 -4.88 117.00 111.16 2bjj n LEU 173 Ca 0.05 0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.99 2bjj n LEU 173 Cb 0.25 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2bjj n LEU 173 CO 0.42 0.01 1.15 0.00 -1.33 0.00 0.00 177.39 177.64 2bjj n ALA 175 N 3.46 2.69 -1.77 0.00 0.00 -1.26 -4.75 120.51 118.88 2bjj n ALA 175 Ca 0.11 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.28 2bjj n ALA 175 Cb 0.40 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 2bjj n ALA 175 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bjj s GLY 176 N -0.85 2.81 -0.36 0.00 0.00 -1.26 -4.68 107.32 102.98 2bjj s GLY 176 Ca 0.31 1.00 -0.13 0.00 0.00 0.00 0.00 44.72 45.89 2bjj s GLY 176 CO 0.18 1.48 0.26 -1.08 0.00 0.00 0.00 173.10 173.93 2bjj s THR 177 N -1.49 5.27 0.00 0.90 -1.32 -1.26 -3.91 115.64 113.84 2bjj s THR 177 Ca 0.63 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2bjj s THR 177 Cb -0.31 -3.77 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 2bjj s THR 177 CO 0.37 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 2bjj n GLY 178 N 5.11 1.02 0.00 6.08 0.00 -1.26 -3.40 105.19 112.74 2bjj n GLY 178 Ca -0.12 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.17 2bjj n GLY 178 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bjj n GLU 179 N 7.52 0.04 0.18 1.61 1.02 -1.26 -3.37 120.64 126.38 2bjj n GLU 179 Ca 0.00 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2bjj n GLU 179 Cb 0.00 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.32 2bjj n GLU 179 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2bjj h ASN 180 N 0.01 0.00 -2.33 1.62 2.35 -1.89 -3.45 115.58 111.89 2bjj h ASN 180 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 2bjj h ASN 180 Cb 0.48 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.89 2bjj h ASN 180 CO 0.00 0.00 1.02 1.17 -1.65 0.00 0.00 177.43 177.97 2bjj n LYS 181 N -2.67 2.48 -2.18 0.81 4.81 -1.22 -2.40 118.16 117.79 2bjj n LYS 181 Ca 0.04 0.90 -0.15 0.00 -0.87 0.00 0.00 58.31 58.23 2bjj n LYS 181 Cb 0.40 -2.75 -0.01 0.00 0.02 0.00 0.00 35.03 32.69 2bjj n LYS 181 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bjj s ALA 183 N -2.71 3.52 -1.56 0.00 0.00 -1.01 -1.46 121.76 118.55 2bjj s ALA 183 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 2bjj s ALA 183 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2bjj s ALA 183 CO 0.00 0.46 2.80 0.34 0.00 0.00 0.00 175.76 179.36 2bjj n PHE 184 N 0.02 2.55 -3.82 0.00 -0.00 -1.26 -4.34 117.46 110.60 2bjj n PHE 184 Ca -0.00 -3.04 -0.03 0.00 -0.00 0.00 0.00 57.45 54.38 2bjj n PHE 184 Cb 0.52 -2.38 0.01 0.00 -0.00 0.00 0.00 39.48 37.62 2bjj n PHE 184 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2bjj s SER 185 N 1.93 -0.07 0.00 -2.13 1.04 -1.26 -4.96 113.70 108.26 2bjj s SER 185 Ca 0.65 -0.56 0.24 0.00 0.48 0.00 0.00 55.95 56.76 2bjj s SER 185 Cb 0.18 0.49 1.33 0.00 0.10 0.00 0.00 66.02 68.11 2bjj s SER 185 CO -0.07 -0.95 1.82 -1.54 0.98 0.00 0.00 173.24 173.48 2bjj n SER 186 N -0.91 0.00 -0.10 7.02 3.41 -1.26 -1.99 113.62 119.79 2bjj n SER 186 Ca -0.05 -0.36 0.02 0.00 -0.26 0.00 0.00 58.87 58.23 2bjj n SER 186 Cb 0.60 -0.17 0.33 0.00 -0.26 0.00 0.00 64.21 64.71 2bjj n SER 186 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2bjj h GLN 187 N 0.00 0.74 -6.01 4.33 1.08 -1.91 -3.38 115.11 109.97 2bjj h GLN 187 Ca 0.00 -0.06 -0.60 0.00 -1.45 0.00 0.00 58.65 56.55 2bjj h GLN 187 Cb 0.13 -0.16 -0.10 0.00 -0.05 0.00 0.00 27.48 27.30 2bjj h GLN 187 CO 0.00 0.51 0.55 -2.00 -0.95 0.00 0.00 178.83 176.94 2bjj s GLU 188 N -5.59 3.83 0.52 1.46 2.56 -0.84 -4.74 118.70 115.90 2bjj s GLU 188 Ca -0.09 0.53 0.17 0.00 0.00 0.00 0.00 54.97 55.58 2bjj s GLU 188 Cb 0.17 -3.80 1.29 0.00 2.00 0.00 0.00 34.13 33.80 2bjj s GLU 188 CO 0.76 -0.91 2.14 -1.35 -0.56 0.00 0.00 175.26 175.34 2bjj h PRO 189 N 8.45 0.00 -0.66 4.30 0.11 -1.84 -2.57 132.00 139.79 2bjj h PRO 189 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2bjj h PRO 189 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2bjj h PRO 189 CO 0.96 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 2bjj n TYR 190 N -4.43 0.98 -2.86 0.65 4.01 -1.26 -4.25 117.16 110.00 2bjj n TYR 190 Ca -0.03 -0.37 -0.40 0.00 -0.16 0.00 0.00 57.90 56.95 2bjj n TYR 190 Cb 0.11 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 38.85 2bjj n TYR 190 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2bjj s PHE 191 N -1.82 3.92 0.03 -0.72 5.36 -0.97 -2.25 117.98 121.52 2bjj s PHE 191 Ca 0.30 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 58.02 2bjj s PHE 191 Cb 0.21 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 2bjj s PHE 191 CO 0.12 0.44 0.00 0.45 -1.46 0.00 0.00 175.22 174.77 2bjj n SER 192 N 1.77 -2.20 0.02 6.13 2.88 -0.40 -2.57 113.62 119.25 2bjj n SER 192 Ca -0.03 0.12 -0.10 0.00 -1.33 0.00 0.00 58.87 57.53 2bjj n SER 192 Cb 0.48 -0.34 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 2bjj n SER 192 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2bjj h TYR 193 N -0.10 -0.32 -0.32 0.66 0.05 -1.92 0.79 116.97 115.80 2bjj h TYR 193 Ca 0.00 0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.63 2bjj h TYR 193 Cb 0.10 0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 2bjj h TYR 193 CO 0.00 -0.19 -0.46 0.77 -1.05 0.00 0.00 178.16 177.23 2bjj h SER 194 N -0.18 0.91 -0.12 3.88 0.02 -1.96 -2.25 113.55 113.85 2bjj h SER 194 Ca 0.07 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2bjj h SER 194 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2bjj h SER 194 CO -0.18 1.22 -0.02 1.23 -1.14 0.00 0.00 176.83 177.95 2bjj h GLY 195 N 0.81 0.10 1.30 -3.77 0.00 -1.30 0.23 103.07 100.44 2bjj h GLY 195 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.40 2bjj h GLY 195 CO 0.10 -0.03 0.47 0.00 0.00 0.00 0.00 176.54 177.08 2bjj h ALA 196 N 1.11 1.49 -0.48 3.60 0.00 -0.39 -0.75 119.26 123.85 2bjj h ALA 196 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2bjj h ALA 196 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2bjj h ALA 196 CO -0.11 0.47 -0.11 0.35 0.00 0.00 0.00 179.25 179.86 2bjj h PHE 197 N 0.97 1.03 -0.77 0.00 3.57 -1.05 -2.77 116.94 117.91 2bjj h PHE 197 Ca 0.26 -0.22 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2bjj h PHE 197 Cb -0.11 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.34 2bjj h PHE 197 CO 0.00 1.00 0.28 -0.22 -2.23 0.00 0.00 178.31 177.14 2bjj h LYS 198 N 0.77 1.17 -0.74 1.11 3.64 -0.59 0.15 116.57 122.07 2bjj h LYS 198 Ca 0.12 -0.22 0.13 0.00 -1.27 0.00 0.00 60.65 59.41 2bjj h LYS 198 Cb 0.66 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2bjj h LYS 198 CO 0.05 0.96 0.49 0.00 -2.27 0.00 0.00 179.45 178.68 2bjj h LEU 200 N 0.49 0.64 -0.28 0.00 5.85 -0.95 -2.19 115.31 118.87 2bjj h LEU 200 Ca 0.36 -0.92 0.01 0.00 0.84 0.00 0.00 57.88 58.17 2bjj h LEU 200 Cb 0.71 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2bjj h LEU 200 CO -0.12 1.51 0.16 0.03 -0.34 0.00 0.00 178.44 179.68 2bjj h ARG 201 N -0.13 0.32 0.00 1.25 3.08 -0.04 -1.22 114.38 117.65 2bjj h ARG 201 Ca -0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2bjj h ARG 201 Cb 1.82 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.80 2bjj h ARG 201 CO 0.20 0.21 0.00 -0.25 -1.07 0.00 0.00 179.97 179.06 2bjj n ASP 202 N -4.93 0.21 0.00 7.04 8.00 0.01 -4.82 116.55 122.06 2bjj n ASP 202 Ca -0.01 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2bjj n ASP 202 Cb 0.05 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2bjj n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bjj n GLY 203 N -1.19 0.73 0.28 0.44 0.00 -0.46 -4.91 105.19 100.09 2bjj n GLY 203 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2bjj n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjj h ALA 204 N 0.00 1.47 -2.07 4.61 0.00 -1.63 -3.44 119.26 118.21 2bjj h ALA 204 Ca 0.00 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 2bjj h ALA 204 Cb 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.49 2bjj h ALA 204 CO 0.00 0.39 -0.68 0.20 0.00 0.00 0.00 179.25 179.16 2bjj s GLY 205 N -3.79 1.86 0.08 0.00 0.00 -0.95 -4.88 107.32 99.64 2bjj s GLY 205 Ca -0.08 -1.92 0.21 0.00 0.00 0.00 0.00 44.72 42.94 2bjj s GLY 205 CO 0.75 -1.86 0.77 1.22 0.00 0.00 0.00 173.10 173.98 2bjj n ASP 206 N -0.60 0.53 -3.84 1.64 8.00 0.79 -4.67 116.55 118.40 2bjj n ASP 206 Ca -0.05 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.54 2bjj n ASP 206 Cb 0.63 0.92 -0.13 0.00 -0.02 0.00 0.00 41.12 42.52 2bjj n ASP 206 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bjj s VAL 207 N -3.29 -0.00 -0.08 2.53 0.11 -0.79 -4.46 120.40 114.42 2bjj s VAL 207 Ca -0.04 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2bjj s VAL 207 Cb 0.11 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.82 2bjj s VAL 207 CO 0.83 0.00 -0.22 0.00 -3.33 0.00 0.00 175.10 172.39 2bjj s ALA 208 N 0.09 2.29 -0.50 1.54 0.00 -0.42 0.51 121.76 125.28 2bjj s ALA 208 Ca -0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 2bjj s ALA 208 Cb -0.01 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.40 2bjj s ALA 208 CO -0.00 0.38 0.42 -0.06 0.00 0.00 0.00 175.76 176.49 2bjj s PHE 209 N -0.02 3.30 0.00 0.00 0.08 -0.14 -0.75 117.98 120.45 2bjj s PHE 209 Ca -0.07 -1.38 0.00 0.00 0.12 0.00 0.00 56.93 55.61 2bjj s PHE 209 Cb -0.15 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 2bjj s PHE 209 CO 0.05 -0.95 0.00 0.44 -0.10 0.00 0.00 175.22 174.66 2bjj n ILE 210 N 5.13 0.00 -2.93 0.64 -5.35 -0.89 -3.79 119.36 112.18 2bjj n ILE 210 Ca -0.12 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.17 2bjj n ILE 210 Cb 0.41 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.35 2bjj n ILE 210 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bjj s ARG 211 N -1.98 2.53 0.46 6.28 1.70 -1.26 -1.23 118.95 125.44 2bjj s ARG 211 Ca 0.00 -1.28 0.30 0.00 -0.47 0.00 0.00 55.73 54.28 2bjj s ARG 211 Cb 0.00 -2.65 1.19 0.00 -0.57 0.00 0.00 34.95 32.92 2bjj s ARG 211 CO 0.00 -0.62 1.89 1.05 -1.08 0.00 0.00 175.30 176.54 2bjj h GLU 212 N 0.31 0.00 0.00 3.89 9.09 -1.85 -3.24 114.58 122.79 2bjj h GLU 212 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.04 2bjj h GLU 212 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2bjj h GLU 212 CO 0.44 0.00 -1.33 -1.13 0.05 0.00 0.00 179.01 177.04 2bjj n SER 213 N -2.85 0.50 -0.08 3.06 3.41 -1.26 -4.50 113.62 111.90 2bjj n SER 213 Ca 0.01 -0.24 -0.07 0.00 -0.26 0.00 0.00 58.87 58.32 2bjj n SER 213 Cb 0.30 1.19 -0.00 0.00 -0.26 0.00 0.00 64.21 65.44 2bjj n SER 213 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2bjj h THR 214 N 0.00 0.47 -0.60 6.66 2.02 -1.96 0.17 112.91 119.67 2bjj h THR 214 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2bjj h THR 214 Cb 0.80 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2bjj h THR 214 CO 0.00 0.00 0.40 1.62 0.37 0.00 0.00 175.52 177.91 2bjj h VAL 215 N -0.14 0.91 0.08 3.16 3.04 -1.83 -1.07 116.25 120.40 2bjj h VAL 215 Ca 0.17 -0.15 -0.25 0.00 -1.01 0.00 0.00 66.70 65.45 2bjj h VAL 215 Cb 0.40 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2bjj h VAL 215 CO -0.41 0.08 -1.18 -0.26 -1.01 0.00 0.00 177.57 174.79 2bjj h PHE 216 N 0.43 0.31 -0.46 3.17 -1.00 -1.43 -2.31 116.94 115.65 2bjj h PHE 216 Ca 0.28 -0.23 -0.11 0.00 2.81 0.00 0.00 57.97 60.72 2bjj h PHE 216 Cb 0.52 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2bjj h PHE 216 CO -0.00 1.18 -0.16 0.93 -1.61 0.00 0.00 178.31 178.65 2bjj h GLU 217 N 0.05 0.92 0.00 1.51 5.08 0.05 -3.36 114.58 118.82 2bjj h GLU 217 Ca -0.10 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2bjj h GLU 217 Cb 1.90 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 2bjj h GLU 217 CO 0.17 1.03 -1.68 -0.25 -1.00 0.00 0.00 179.01 177.28 2bjj n ASP 218 N -4.20 0.31 -4.13 1.42 8.00 -0.48 -4.77 116.55 112.71 2bjj n ASP 218 Ca -0.00 0.12 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 2bjj n ASP 218 Cb 0.42 1.35 -0.14 0.00 -0.02 0.00 0.00 41.12 42.73 2bjj n ASP 218 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bjj s LEU 219 N -4.91 3.95 0.01 0.64 1.43 -0.87 -4.99 118.68 113.94 2bjj s LEU 219 Ca -0.06 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 51.44 2bjj s LEU 219 Cb 0.12 -1.67 -0.30 0.00 0.03 0.00 0.00 46.19 44.37 2bjj s LEU 219 CO 0.86 -0.27 1.03 0.77 0.23 0.00 0.00 176.35 178.97 2bjj h SER 220 N 7.91 0.70 -3.05 2.29 4.64 -1.86 -3.43 113.55 120.76 2bjj h SER 220 Ca -0.19 -0.87 -0.57 0.00 -0.47 0.00 0.00 61.79 59.70 2bjj h SER 220 Cb 1.05 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.87 2bjj h SER 220 CO 0.53 1.50 0.94 -0.62 -0.87 0.00 0.00 176.83 178.31 2bjj s ASP 221 N -7.21 6.79 0.10 4.97 2.15 -1.26 -4.88 116.67 117.33 2bjj s ASP 221 Ca -0.11 1.39 0.14 0.00 0.43 0.00 0.00 52.55 54.40 2bjj s ASP 221 Cb 0.04 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.75 2bjj s ASP 221 CO 0.89 -0.94 1.45 -1.84 -0.17 0.00 0.00 175.17 174.55 2bjj n GLU 222 N 7.01 0.06 0.07 4.34 0.00 -1.26 -1.24 120.64 129.62 2bjj n GLU 222 Ca 0.14 0.39 -0.06 0.00 0.00 0.00 0.00 57.16 57.63 2bjj n GLU 222 Cb 0.46 -1.64 -0.08 0.00 0.00 0.00 0.00 31.44 30.18 2bjj n GLU 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bjj h ALA 223 N 2.29 0.43 0.00 -1.84 0.00 -1.97 -3.24 119.26 114.92 2bjj h ALA 223 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2bjj h ALA 223 Cb 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bjj h ALA 223 CO 0.00 1.15 -0.08 1.05 0.00 0.00 0.00 179.25 181.37 2bjj h GLU 224 N 0.00 0.00 0.00 0.00 4.11 -1.57 -3.12 114.58 114.00 2bjj h GLU 224 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2bjj h GLU 224 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2bjj h GLU 224 CO 0.12 0.08 -0.23 0.00 0.07 0.00 0.00 179.01 179.05 2bjj h ARG 225 N 0.00 0.00 0.00 1.06 3.08 -1.57 -2.96 114.38 113.99 2bjj h ARG 225 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bjj h ARG 225 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2bjj h ARG 225 CO 0.01 0.23 0.00 -0.25 -1.07 0.00 0.00 179.97 178.89 2bjj n ASP 226 N -3.47 0.46 -0.10 7.04 8.00 -1.18 -2.68 116.55 124.62 2bjj n ASP 226 Ca -0.00 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.25 2bjj n ASP 226 Cb 0.40 -0.72 0.71 0.00 -0.02 0.00 0.00 41.12 41.49 2bjj n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bjj n GLU 227 N -2.02 1.14 -4.41 -1.24 1.02 -1.12 -4.83 120.64 109.18 2bjj n GLU 227 Ca 0.02 -0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 56.70 2bjj n GLU 227 Cb 0.19 -1.41 -0.13 0.00 -0.02 0.00 0.00 31.44 30.07 2bjj n GLU 227 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2bjj s TYR 228 N -1.98 1.88 0.16 -0.32 2.02 -1.09 -0.14 117.35 117.88 2bjj s TYR 228 Ca 0.38 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 2bjj s TYR 228 Cb 0.18 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 2bjj s TYR 228 CO 0.30 0.19 0.02 -1.21 -1.57 0.00 0.00 175.55 173.28 2bjj s GLU 229 N -1.72 1.05 -0.05 -0.62 2.02 -0.55 -4.23 118.70 114.60 2bjj s GLU 229 Ca 0.08 -1.50 -0.04 0.00 0.02 0.00 0.00 54.97 53.53 2bjj s GLU 229 Cb -0.10 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 33.98 2bjj s GLU 229 CO 0.04 -0.17 0.15 -0.51 0.02 0.00 0.00 175.26 174.79 2bjj s LEU 230 N -3.13 4.28 -0.25 1.80 1.43 0.06 -1.10 118.68 121.78 2bjj s LEU 230 Ca 0.24 0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 2bjj s LEU 230 Cb 0.07 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2bjj s LEU 230 CO 0.03 0.32 0.79 -0.76 0.23 0.00 0.00 176.35 176.96 2bjj s LEU 231 N -1.56 4.08 0.26 1.79 1.43 0.21 -2.36 118.68 122.52 2bjj s LEU 231 Ca 0.22 0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 2bjj s LEU 231 Cb -0.12 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 2bjj s LEU 231 CO 0.12 -0.49 0.49 0.00 0.23 0.00 0.00 176.35 176.70 2bjj h PRO 233 N 1.79 0.00 -0.88 0.00 0.11 -1.87 -2.52 132.00 128.63 2bjj h PRO 233 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2bjj h PRO 233 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2bjj h PRO 233 CO 0.67 0.00 0.07 -0.40 -0.21 0.00 0.00 178.00 178.13 2bjj n ASP 234 N -2.93 3.02 -3.28 -2.05 5.68 -1.26 -4.87 116.55 110.85 2bjj n ASP 234 Ca -0.01 -2.45 -0.24 0.00 -0.50 0.00 0.00 54.79 51.60 2bjj n ASP 234 Cb 0.17 -0.59 0.02 0.00 -1.14 0.00 0.00 41.12 39.58 2bjj n ASP 234 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2bjj n ASN 235 N 0.14 -4.94 -4.75 -1.12 3.02 -0.95 -5.01 115.26 101.65 2bjj n ASN 235 Ca 0.15 -0.39 -0.28 0.00 -0.03 0.00 0.00 54.58 54.03 2bjj n ASN 235 Cb 0.73 -4.02 -0.07 0.00 -0.61 0.00 0.00 39.78 35.81 2bjj n ASN 235 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bjj s THR 236 N -3.08 1.85 0.01 3.41 -4.23 -1.25 -4.83 115.64 107.52 2bjj s THR 236 Ca 0.39 -1.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.17 2bjj s THR 236 Cb -0.19 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 2bjj s THR 236 CO 0.48 0.00 -0.18 -0.13 -0.54 0.00 0.00 174.62 174.26 2bjj s ARG 237 N -3.92 2.20 0.05 3.99 0.52 -1.26 -1.14 118.95 119.38 2bjj s ARG 237 Ca 0.30 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2bjj s ARG 237 Cb 0.03 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 2bjj s ARG 237 CO 0.16 0.57 0.06 0.15 0.02 0.00 0.00 175.30 176.26 2bjj s LYS 238 N -1.16 0.64 0.80 3.54 1.02 -1.00 -4.97 119.74 118.62 2bjj s LYS 238 Ca 0.13 -0.98 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 2bjj s LYS 238 Cb -0.10 0.24 0.08 0.00 -0.52 0.00 0.00 37.83 37.53 2bjj s LYS 238 CO 0.03 -0.16 1.15 -1.25 -0.92 0.00 0.00 175.35 174.20 2bjj s PRO 239 N -3.36 1.84 0.59 -1.68 0.04 -1.26 -0.76 135.00 130.41 2bjj s PRO 239 Ca 0.02 1.50 0.32 0.00 0.04 0.00 0.00 61.00 62.88 2bjj s PRO 239 Cb 0.03 -1.82 1.85 0.00 0.04 0.00 0.00 34.50 34.60 2bjj s PRO 239 CO -0.08 -2.01 2.23 -0.39 0.04 0.00 0.00 177.00 176.79 2bjj h VAL 240 N -1.03 0.42 -0.00 -0.36 -1.51 -1.88 -1.15 116.25 110.73 2bjj h VAL 240 Ca -0.45 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2bjj h VAL 240 Cb 1.26 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2bjj h VAL 240 CO 0.48 0.03 -0.10 -0.90 -1.23 0.00 0.00 177.57 175.84 2bjj n ASP 241 N -3.63 0.10 -1.57 4.19 5.68 -1.26 -3.63 116.55 116.42 2bjj n ASP 241 Ca -0.03 0.33 -0.08 0.00 -0.50 0.00 0.00 54.79 54.52 2bjj n ASP 241 Cb 0.12 -0.35 0.15 0.00 -1.14 0.00 0.00 41.12 39.90 2bjj n ASP 241 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2bjj n LYS 242 N -1.49 2.26 -0.18 0.11 4.76 -0.44 -4.63 118.16 118.55 2bjj n LYS 242 Ca 0.07 -1.77 0.17 0.00 -2.87 0.00 0.00 58.31 53.91 2bjj n LYS 242 Cb 0.34 -1.77 0.52 0.00 -1.84 0.00 0.00 35.03 32.28 2bjj n LYS 242 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2bjj h PHE 243 N 1.18 0.46 -0.14 2.13 -5.15 -1.75 -1.63 116.94 112.04 2bjj h PHE 243 Ca 0.24 0.01 0.04 0.00 -0.20 0.00 0.00 57.97 58.06 2bjj h PHE 243 Cb 1.83 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 37.85 2bjj h PHE 243 CO 0.82 0.16 0.12 0.87 -2.00 0.00 0.00 178.31 178.28 2bjj h LYS 244 N 0.38 0.00 0.00 6.09 1.57 -1.93 -1.94 116.57 120.74 2bjj h LYS 244 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2bjj h LYS 244 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2bjj h LYS 244 CO -0.13 0.00 -0.86 -0.25 -0.57 0.00 0.00 179.45 177.65 2bjj n ASP 245 N -4.20 0.84 -3.36 0.86 8.00 -0.66 -4.80 116.55 113.23 2bjj n ASP 245 Ca 0.00 -0.90 -0.26 0.00 0.71 0.00 0.00 54.79 54.35 2bjj n ASP 245 Cb 0.24 1.01 -0.10 0.00 -0.02 0.00 0.00 41.12 42.26 2bjj n ASP 245 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjj s HIS 247 N 0.30 0.05 -0.20 0.00 -3.43 -1.21 -4.50 115.29 106.29 2bjj s HIS 247 Ca 0.30 -0.38 0.19 0.00 -0.80 0.00 0.00 55.06 54.37 2bjj s HIS 247 Cb -0.01 0.01 -0.00 0.00 -1.43 0.00 0.00 32.58 31.15 2bjj s HIS 247 CO -0.15 -0.54 1.10 -0.07 -2.00 0.00 0.00 174.74 173.08 2bjj h LEU 248 N 2.90 0.00 -7.00 5.38 3.38 -0.83 -3.41 115.31 115.73 2bjj h LEU 248 Ca -0.33 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.77 2bjj h LEU 248 Cb 1.21 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 2bjj h LEU 248 CO 0.52 0.31 0.65 0.00 0.09 0.00 0.00 178.44 180.01 2bjj s ALA 249 N -3.11 -1.98 -0.19 1.53 0.00 -1.21 -4.99 121.76 111.82 2bjj s ALA 249 Ca 0.00 1.61 -0.07 0.00 0.00 0.00 0.00 51.96 53.51 2bjj s ALA 249 Cb 0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2bjj s ALA 249 CO 0.78 -0.34 0.05 0.50 0.00 0.00 0.00 175.76 176.74 2bjj s ARG 250 N -1.34 3.89 0.08 0.00 3.52 -1.26 -0.72 118.95 123.12 2bjj s ARG 250 Ca 0.02 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 2bjj s ARG 250 Cb -0.01 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2bjj s ARG 250 CO -0.02 0.21 -0.09 0.14 -0.81 0.00 0.00 175.30 174.74 2bjj s VAL 251 N 0.53 0.77 0.34 7.11 -7.23 0.24 -4.96 120.40 117.19 2bjj s VAL 251 Ca 0.02 -1.49 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 2bjj s VAL 251 Cb -0.13 -1.16 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 2bjj s VAL 251 CO 0.01 -0.54 1.26 -2.16 -0.31 0.00 0.00 175.10 173.36 2bjj s PRO 252 N -2.54 4.34 1.01 4.82 0.04 -1.26 -1.15 135.00 140.26 2bjj s PRO 252 Ca 0.01 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 2bjj s PRO 252 Cb -0.04 -3.03 0.20 0.00 0.04 0.00 0.00 34.50 31.67 2bjj s PRO 252 CO -0.01 -0.16 1.11 -1.54 0.04 0.00 0.00 177.00 176.44 2bjj s SER 253 N -0.62 2.14 0.76 6.66 1.04 -0.57 -4.68 113.70 118.43 2bjj s SER 253 Ca 0.50 1.99 -0.14 0.00 0.48 0.00 0.00 55.95 58.77 2bjj s SER 253 Cb -0.38 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.30 2bjj s SER 253 CO 0.50 -3.56 1.20 -1.00 0.98 0.00 0.00 173.24 171.36 2bjj s HIS 254 N -2.56 1.99 0.02 5.02 3.76 -1.26 -4.74 115.29 117.51 2bjj s HIS 254 Ca 0.68 1.62 -0.01 0.00 -0.15 0.00 0.00 55.06 57.20 2bjj s HIS 254 Cb -0.24 -3.46 -0.02 0.00 1.11 0.00 0.00 32.58 29.97 2bjj s HIS 254 CO 0.60 -2.66 -0.00 0.00 -0.85 0.00 0.00 174.74 171.83 2bjj s ALA 255 N -2.07 0.07 0.01 -1.40 0.00 -0.73 -1.08 121.76 116.56 2bjj s ALA 255 Ca 0.73 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 2bjj s ALA 255 Cb -0.29 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2bjj s ALA 255 CO 0.47 -0.18 0.95 0.08 0.00 0.00 0.00 175.76 177.08 2bjj s VAL 256 N -1.61 4.84 0.28 0.00 1.01 0.79 -0.79 120.40 124.92 2bjj s VAL 256 Ca -0.14 2.01 0.08 0.00 0.00 0.00 0.00 61.98 63.93 2bjj s VAL 256 Cb -0.08 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2bjj s VAL 256 CO -0.01 0.19 0.11 0.68 0.00 0.00 0.00 175.10 176.06 2bjj s VAL 257 N 0.87 3.71 0.13 2.92 -7.23 -0.39 -0.96 120.40 119.45 2bjj s VAL 257 Ca 0.50 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 2bjj s VAL 257 Cb -0.21 -3.08 0.05 0.00 0.56 0.00 0.00 36.38 33.71 2bjj s VAL 257 CO 0.27 -0.32 0.50 0.00 -0.31 0.00 0.00 175.10 175.24 2bjj s ALA 258 N -2.28 -1.25 0.34 1.32 0.00 -0.06 -3.57 121.76 116.27 2bjj s ALA 258 Ca 0.34 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 2bjj s ALA 258 Cb -0.06 0.73 -0.13 0.00 0.00 0.00 0.00 23.12 23.66 2bjj s ALA 258 CO 0.22 -0.68 0.85 0.54 0.00 0.00 0.00 175.76 176.69 2bjj n ARG 259 N -0.21 1.02 0.16 0.00 1.74 -1.26 -0.20 116.66 117.91 2bjj n ARG 259 Ca -0.17 0.36 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 2bjj n ARG 259 Cb 0.64 -1.72 0.08 0.00 -1.02 0.00 0.00 32.46 30.44 2bjj n ARG 259 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2bjj h SER 260 N 1.49 0.00 0.00 0.55 0.02 -1.89 -3.33 113.55 110.39 2bjj h SER 260 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2bjj h SER 260 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2bjj h SER 260 CO 0.57 0.42 0.00 0.55 -1.14 0.00 0.00 176.83 177.23 2bjj n VAL 261 N -3.23 0.00 -2.94 2.27 3.14 -1.26 -4.59 118.33 111.71 2bjj n VAL 261 Ca 0.02 0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.98 2bjj n VAL 261 Cb 0.68 -0.12 0.01 0.00 -1.06 0.00 0.00 33.84 33.35 2bjj n VAL 261 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2bjj n ASN 262 N 0.00 6.36 0.21 6.55 4.13 -1.26 -4.86 115.26 126.39 2bjj n ASN 262 Ca 0.00 -3.40 0.10 0.00 1.68 0.00 0.00 54.58 52.96 2bjj n ASN 262 Cb 0.00 -1.28 0.32 0.00 -1.54 0.00 0.00 39.78 37.27 2bjj n ASN 262 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2bjj h GLY 263 N 5.59 0.00 -3.17 7.41 0.00 -1.81 -3.47 103.07 107.61 2bjj h GLY 263 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.25 2bjj h GLY 263 CO 1.36 0.00 -0.43 0.28 0.00 0.00 0.00 176.54 177.75 2bjj n LYS 264 N -3.23 -3.18 -0.27 4.80 5.02 -1.26 -4.51 118.16 115.53 2bjj n LYS 264 Ca 0.02 0.68 -0.03 0.00 -2.02 0.00 0.00 58.31 56.96 2bjj n LYS 264 Cb 0.51 -5.03 0.03 0.00 -0.02 0.00 0.00 35.03 30.52 2bjj n LYS 264 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2bjj h GLU 265 N -0.84 -0.08 -0.99 1.97 3.07 -1.91 -1.98 114.58 113.81 2bjj h GLU 265 Ca -0.38 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.50 2bjj h GLU 265 Cb 1.27 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 2bjj h GLU 265 CO 0.42 -0.06 0.65 -0.44 -1.40 0.00 0.00 179.01 178.19 2bjj h ASP 266 N -0.09 1.12 -0.28 1.42 3.32 -1.99 0.09 116.42 120.01 2bjj h ASP 266 Ca 0.29 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 2bjj h ASP 266 Cb 0.57 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2bjj h ASP 266 CO -0.80 0.80 -0.12 0.00 -1.72 0.00 0.00 179.24 177.39 2bjj h ALA 267 N 1.38 0.40 0.01 3.45 0.00 -1.84 0.60 119.26 123.26 2bjj h ALA 267 Ca 0.37 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2bjj h ALA 267 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2bjj h ALA 267 CO -0.09 0.26 -0.05 0.82 0.00 0.00 0.00 179.25 180.19 2bjj h ILE 268 N 0.33 0.88 -0.55 0.00 2.04 -0.98 0.33 117.51 119.57 2bjj h ILE 268 Ca 0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 2bjj h ILE 268 Cb 0.63 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2bjj h ILE 268 CO 0.04 0.00 0.16 -0.25 0.00 0.00 0.00 178.15 178.09 2bjj h TRP 269 N -0.09 0.90 -0.12 1.37 2.91 -1.00 0.25 115.95 120.18 2bjj h TRP 269 Ca 0.02 -0.10 0.05 0.00 1.13 0.00 0.00 58.89 59.98 2bjj h TRP 269 Cb 0.11 -0.26 -0.06 0.00 -0.51 0.00 0.00 29.16 28.44 2bjj h TRP 269 CO -0.11 0.77 -0.25 -0.97 -1.03 0.00 0.00 178.44 176.85 2bjj h ASN 270 N 0.77 -0.77 -0.48 2.65 -1.24 -0.59 0.23 115.58 116.15 2bjj h ASN 270 Ca 0.18 0.12 0.07 0.00 0.71 0.00 0.00 56.30 57.38 2bjj h ASN 270 Cb 0.31 0.34 -0.06 0.00 0.73 0.00 0.00 38.32 39.64 2bjj h ASN 270 CO -0.00 -0.30 0.15 0.25 -1.29 0.00 0.00 177.43 176.24 2bjj h LEU 271 N -0.32 0.13 -0.32 0.34 5.85 -0.14 -2.48 115.31 118.36 2bjj h LEU 271 Ca 0.10 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.70 2bjj h LEU 271 Cb 0.47 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2bjj h LEU 271 CO -0.31 0.10 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.26 2bjj h LEU 272 N 0.32 0.92 -0.48 2.25 3.38 -0.47 0.13 115.31 121.35 2bjj h LEU 272 Ca 0.23 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2bjj h LEU 272 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2bjj h LEU 272 CO -0.26 1.29 0.29 -0.09 0.09 0.00 0.00 178.44 179.77 2bjj h ARG 273 N 0.62 0.57 0.05 1.13 2.43 -0.56 -1.72 114.38 116.90 2bjj h ARG 273 Ca 0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2bjj h ARG 273 Cb 1.17 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2bjj h ARG 273 CO 0.12 0.38 -0.02 1.96 -1.51 0.00 0.00 179.97 180.90 2bjj h GLN 274 N 0.59 -0.06 -1.01 0.20 1.08 -1.31 -2.74 115.11 111.86 2bjj h GLN 274 Ca 0.19 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.51 2bjj h GLN 274 Cb -0.00 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.36 2bjj h GLN 274 CO -0.08 0.39 0.63 0.00 -0.95 0.00 0.00 178.83 178.83 2bjj h ALA 275 N 0.38 1.51 -0.30 3.87 0.00 -0.74 -2.18 119.26 121.79 2bjj h ALA 275 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2bjj h ALA 275 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2bjj h ALA 275 CO 0.01 0.25 -0.12 0.37 0.00 0.00 0.00 179.25 179.75 2bjj h GLN 276 N 1.01 0.61 -0.55 0.00 4.15 -1.31 0.13 115.11 119.15 2bjj h GLN 276 Ca 0.49 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 2bjj h GLN 276 Cb 0.46 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2bjj h GLN 276 CO -0.26 0.83 0.18 1.49 -1.93 0.00 0.00 178.83 179.14 2bjj h GLU 277 N 0.37 0.85 0.09 1.69 4.81 -1.20 -0.47 114.58 120.72 2bjj h GLU 277 Ca 0.07 -0.18 -0.29 0.00 -0.13 0.00 0.00 59.36 58.83 2bjj h GLU 277 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2bjj h GLU 277 CO 0.04 0.77 -1.49 0.87 -0.73 0.00 0.00 179.01 178.47 2bjj h LYS 278 N 0.76 0.19 0.00 1.92 1.57 -1.37 -3.39 116.57 116.26 2bjj h LYS 278 Ca 0.18 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2bjj h LYS 278 Cb 0.27 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2bjj h LYS 278 CO -0.01 1.04 -0.08 1.19 -0.57 0.00 0.00 179.45 181.02 2bjj n PHE 279 N -3.40 0.00 -0.36 -1.35 3.72 0.44 -4.10 117.46 112.41 2bjj n PHE 279 Ca -0.15 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 2bjj n PHE 279 Cb 1.03 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 2bjj n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bjj n GLY 280 N -0.95 -2.09 2.82 1.37 0.00 -0.18 -1.36 105.19 104.80 2bjj n GLY 280 Ca 0.09 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 2bjj n GLY 280 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bjj n LYS 281 N -0.87 0.00 -3.67 1.61 0.00 -1.26 -2.26 118.16 111.71 2bjj n LYS 281 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.00 2bjj n LYS 281 Cb 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 35.03 33.88 2bjj n LYS 281 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2bjj n ASP 282 N 8.05 -5.14 -0.01 3.14 2.03 -1.26 -4.94 116.55 118.42 2bjj n ASP 282 Ca 0.53 -0.62 -0.01 0.00 0.52 0.00 0.00 54.79 55.21 2bjj n ASP 282 Cb 0.03 -1.69 -0.01 0.00 -0.72 0.00 0.00 41.12 38.74 2bjj n ASP 282 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bjj n LYS 283 N -1.60 1.78 -3.73 -0.67 4.76 -0.96 -5.05 118.16 112.69 2bjj n LYS 283 Ca -0.22 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.09 2bjj n LYS 283 Cb 0.69 -1.03 -0.14 0.00 -1.84 0.00 0.00 35.03 32.71 2bjj n LYS 283 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bjj s SER 284 N -3.69 -0.12 0.27 4.39 0.15 -1.26 -4.94 113.70 108.51 2bjj s SER 284 Ca -0.01 0.40 0.25 0.00 0.70 0.00 0.00 55.95 57.29 2bjj s SER 284 Cb 0.00 0.30 0.96 0.00 -1.71 0.00 0.00 66.02 65.57 2bjj s SER 284 CO 0.04 -0.16 1.75 -0.65 1.20 0.00 0.00 173.24 175.42 2bjj h PRO 285 N 7.32 0.00 -0.57 5.44 0.11 -1.96 -3.18 132.00 139.16 2bjj h PRO 285 Ca -0.40 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 2bjj h PRO 285 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2bjj h PRO 285 CO 0.38 0.00 0.37 0.87 -0.21 0.00 0.00 178.00 179.41 2bjj h LYS 286 N 0.00 0.74 -2.02 1.05 1.57 -1.99 -3.46 116.57 112.46 2bjj h LYS 286 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2bjj h LYS 286 Cb 0.48 -0.17 -0.21 0.00 0.08 0.00 0.00 32.23 32.42 2bjj h LYS 286 CO 0.00 0.49 0.08 0.12 -0.57 0.00 0.00 179.45 179.57 2bjj s PHE 287 N -6.15 -0.88 -0.28 -1.35 5.36 -1.20 -5.12 117.98 108.36 2bjj s PHE 287 Ca -0.13 1.98 -0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2bjj s PHE 287 Cb 0.13 0.39 0.05 0.00 -0.34 0.00 0.00 43.02 43.25 2bjj s PHE 287 CO 0.75 -0.43 -0.05 -0.65 -1.46 0.00 0.00 175.22 173.39 2bjj s GLN 288 N 0.81 2.41 0.31 10.12 1.11 -1.26 -4.38 119.66 128.78 2bjj s GLN 288 Ca -0.03 -1.26 0.04 0.00 0.01 0.00 0.00 55.36 54.11 2bjj s GLN 288 Cb -0.05 -3.06 0.63 0.00 -1.01 0.00 0.00 33.01 29.53 2bjj s GLN 288 CO -0.06 -0.58 1.87 1.25 0.01 0.00 0.00 175.29 177.78 2bjj h LEU 289 N 7.92 0.83 -3.55 2.90 5.85 -1.51 -2.87 115.31 124.90 2bjj h LEU 289 Ca -0.22 0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.21 2bjj h LEU 289 Cb 1.06 -0.14 -0.20 0.00 0.37 0.00 0.00 40.66 41.76 2bjj h LEU 289 CO 0.51 0.47 -0.02 0.49 -0.34 0.00 0.00 178.44 179.55 2bjj n PHE 290 N -4.56 1.77 -4.29 1.25 3.72 -1.26 -4.71 117.46 109.37 2bjj n PHE 290 Ca 0.17 -1.90 -0.20 0.00 -0.05 0.00 0.00 57.45 55.47 2bjj n PHE 290 Cb 0.34 -0.62 -0.11 0.00 -0.94 0.00 0.00 39.48 38.15 2bjj n PHE 290 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2bjj s GLY 291 N -2.52 1.25 -0.06 1.37 0.00 -1.08 -0.90 107.32 105.37 2bjj s GLY 291 Ca 0.49 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.84 2bjj s GLY 291 CO 0.01 -1.44 -0.11 -0.56 0.00 0.00 0.00 173.10 171.00 2bjj s SER 292 N -2.53 1.66 0.12 1.64 0.01 -1.26 -4.79 113.70 108.55 2bjj s SER 292 Ca 0.12 -0.27 -0.33 0.00 1.31 0.00 0.00 55.95 56.78 2bjj s SER 292 Cb -0.06 -0.73 -0.18 0.00 0.21 0.00 0.00 66.02 65.26 2bjj s SER 292 CO 0.05 0.03 0.76 -2.65 0.41 0.00 0.00 173.24 171.84 2bjj n PRO 293 N 3.75 0.04 0.20 12.44 -0.01 -1.26 -4.67 135.00 145.50 2bjj n PRO 293 Ca -0.23 0.01 0.06 0.00 -0.01 0.00 0.00 63.50 63.34 2bjj n PRO 293 Cb 0.52 -1.23 0.30 0.00 -0.01 0.00 0.00 33.50 33.08 2bjj n PRO 293 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 175.50 176.52 2bjj h SER 294 N 1.86 0.00 -0.86 2.55 0.87 -2.05 1.11 113.55 117.03 2bjj h SER 294 Ca -0.38 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.23 2bjj h SER 294 Cb 1.43 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.34 2bjj h SER 294 CO 0.61 0.00 0.55 1.23 -0.53 0.00 0.00 176.83 178.68 2bjj h GLY 295 N 0.00 1.26 -1.14 5.77 0.00 -2.07 -3.48 103.07 103.41 2bjj h GLY 295 Ca 0.00 -0.41 -0.58 0.00 0.00 0.00 0.00 47.33 46.34 2bjj h GLY 295 CO 0.00 0.33 -0.53 1.20 0.00 0.00 0.00 176.54 177.53 2bjj s GLN 296 N -6.09 1.96 -0.01 4.80 -1.52 0.38 -5.17 119.66 114.02 2bjj s GLN 296 Ca -0.13 -2.20 -0.01 0.00 -1.95 0.00 0.00 55.36 51.08 2bjj s GLN 296 Cb 0.18 -0.96 0.00 0.00 -0.22 0.00 0.00 33.01 32.01 2bjj s GLN 296 CO 0.79 -0.38 0.03 0.15 -0.25 0.00 0.00 175.29 175.63 2bjj s LYS 297 N -3.78 0.06 -1.24 2.91 -0.14 -1.26 -4.63 119.74 111.65 2bjj s LYS 297 Ca 0.21 -0.01 -0.01 0.00 -1.36 0.00 0.00 55.97 54.80 2bjj s LYS 297 Cb 0.04 0.03 0.00 0.00 -1.68 0.00 0.00 37.83 36.21 2bjj s LYS 297 CO 0.12 -0.01 0.93 -0.25 -0.76 0.00 0.00 175.35 175.38 2bjj n ASP 298 N 2.94 -2.13 -4.66 2.83 8.00 -1.26 -4.94 116.55 117.33 2bjj n ASP 298 Ca -0.13 -0.67 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 2bjj n ASP 298 Cb 0.59 -4.83 -0.02 0.00 -0.02 0.00 0.00 41.12 36.85 2bjj n ASP 298 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bjj s LEU 299 N -6.52 4.11 0.00 0.64 1.02 -1.26 -4.27 118.68 112.40 2bjj s LEU 299 Ca 0.05 1.39 0.00 0.00 0.02 0.00 0.00 54.13 55.59 2bjj s LEU 299 Cb -0.02 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.65 2bjj s LEU 299 CO 0.75 -0.66 0.00 0.18 0.02 0.00 0.00 176.35 176.64 2bjj n LEU 300 N 6.28 0.00 -4.26 1.79 4.77 -1.26 -4.76 117.00 119.56 2bjj n LEU 300 Ca 0.12 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 2bjj n LEU 300 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2bjj n LEU 300 CO 0.52 0.00 -0.29 -0.36 -1.33 0.00 0.00 177.39 175.93 2bjj s PHE 301 N 0.00 1.30 0.17 -1.77 0.08 -1.26 -4.39 117.98 112.11 2bjj s PHE 301 Ca 0.00 -1.13 -0.31 0.00 0.12 0.00 0.00 56.93 55.62 2bjj s PHE 301 Cb 0.00 -0.74 -0.09 0.00 -0.57 0.00 0.00 43.02 41.62 2bjj s PHE 301 CO 0.00 -0.32 1.38 0.21 -0.10 0.00 0.00 175.22 176.39 2bjj s LYS 302 N -3.99 4.33 0.26 0.44 2.36 -1.26 -4.41 119.74 117.47 2bjj s LYS 302 Ca 0.30 2.13 -0.30 0.00 -2.55 0.00 0.00 55.97 55.55 2bjj s LYS 302 Cb 0.07 -3.20 -0.10 0.00 -1.05 0.00 0.00 37.83 33.55 2bjj s LYS 302 CO 0.08 -0.38 1.47 -0.51 1.55 0.00 0.00 175.35 177.56 2bjj s ASP 303 N 0.69 6.60 0.00 1.43 1.01 -1.26 -2.59 116.67 122.56 2bjj s ASP 303 Ca 0.61 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.59 2bjj s ASP 303 Cb -0.38 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 40.92 2bjj s ASP 303 CO 0.35 -0.74 0.00 -1.20 0.21 0.00 0.00 175.17 173.79 2bjj n SER 304 N 2.33 -3.43 -4.74 0.27 7.64 -0.08 -5.01 113.62 110.60 2bjj n SER 304 Ca 0.07 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.58 2bjj n SER 304 Cb 0.40 -1.48 0.05 0.00 -1.01 0.00 0.00 64.21 62.17 2bjj n SER 304 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bjj s ALA 305 N -1.84 2.52 -1.75 -0.43 0.00 -1.07 -4.84 121.76 114.35 2bjj s ALA 305 Ca 0.00 1.20 0.15 0.00 0.00 0.00 0.00 51.96 53.31 2bjj s ALA 305 Cb 0.00 -3.54 0.21 0.00 0.00 0.00 0.00 23.12 19.79 2bjj s ALA 305 CO 0.00 -1.45 1.09 0.44 0.00 0.00 0.00 175.76 175.84 2bjj n ILE 306 N -1.62 0.29 -3.71 0.00 -5.35 0.66 -4.75 119.36 104.87 2bjj n ILE 306 Ca 0.14 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2bjj n ILE 306 Cb 0.48 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 2bjj n ILE 306 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bjj n GLY 307 N 0.88 -1.06 3.33 3.28 0.00 -1.23 -4.70 105.19 105.69 2bjj n GLY 307 Ca 0.11 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 2bjj n GLY 307 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bjj s PHE 308 N -2.94 1.83 -0.05 1.61 0.08 -1.26 -0.90 117.98 116.35 2bjj s PHE 308 Ca 0.00 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.61 2bjj s PHE 308 Cb 0.00 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2bjj s PHE 308 CO 0.00 0.32 -0.07 0.45 -0.10 0.00 0.00 175.22 175.81 2bjj s SER 309 N -2.54 1.25 0.17 1.36 0.15 0.21 -4.89 113.70 109.41 2bjj s SER 309 Ca 0.14 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 2bjj s SER 309 Cb -0.06 -0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 63.57 2bjj s SER 309 CO 0.06 -0.02 1.27 -0.60 1.20 0.00 0.00 173.24 175.16 2bjj s ARG 310 N 0.80 4.42 -0.29 5.44 3.52 -1.26 -0.10 118.95 131.48 2bjj s ARG 310 Ca -0.13 1.97 -0.17 0.00 -0.13 0.00 0.00 55.73 57.27 2bjj s ARG 310 Cb -0.15 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2bjj s ARG 310 CO 0.02 -0.22 0.49 0.08 -0.81 0.00 0.00 175.30 174.85 2bjj s VAL 311 N 0.25 5.07 0.31 7.11 1.01 -0.04 -4.88 120.40 129.24 2bjj s VAL 311 Ca 0.56 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.96 2bjj s VAL 311 Cb -0.35 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 2bjj s VAL 311 CO 0.36 0.02 0.84 -2.65 0.00 0.00 0.00 175.10 173.67 2bjj n PRO 312 N 5.56 0.99 -0.04 2.72 -0.02 -1.26 -4.84 135.00 138.10 2bjj n PRO 312 Ca -0.05 0.35 0.23 0.00 -2.02 0.00 0.00 63.50 62.01 2bjj n PRO 312 Cb 0.50 -1.66 0.71 0.00 -0.02 0.00 0.00 33.50 33.03 2bjj n PRO 312 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bjj h PRO 313 N 1.56 0.00 0.00 0.52 0.11 -1.95 -2.63 132.00 129.61 2bjj h PRO 313 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2bjj h PRO 313 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2bjj h PRO 313 CO 0.58 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.24 2bjj n ARG 314 N -4.25 0.15 -2.83 1.05 3.00 -1.26 -4.79 116.66 107.73 2bjj n ARG 314 Ca 0.12 0.27 -0.42 0.00 -0.00 0.00 0.00 57.85 57.82 2bjj n ARG 314 Cb 0.72 -1.73 -0.04 0.00 0.00 0.00 0.00 32.46 31.42 2bjj n ARG 314 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2bjj s ILE 315 N -3.15 4.81 0.35 5.15 1.01 -0.99 -5.03 121.20 123.36 2bjj s ILE 315 Ca 0.08 1.72 0.06 0.00 0.00 0.00 0.00 60.65 62.51 2bjj s ILE 315 Cb 0.12 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.47 2bjj s ILE 315 CO 0.45 -0.06 0.46 -0.90 0.00 0.00 0.00 174.94 174.90 2bjj n ASP 316 N 5.76 1.36 -0.28 3.58 5.75 -1.26 -4.69 116.55 126.77 2bjj n ASP 316 Ca 0.07 -1.96 -0.04 0.00 -0.01 0.00 0.00 54.79 52.85 2bjj n ASP 316 Cb 0.48 -0.24 0.07 0.00 -1.03 0.00 0.00 41.12 40.40 2bjj n ASP 316 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2bjj h SER 317 N 0.09 0.88 -0.40 -1.12 4.64 -1.91 -0.42 113.55 115.32 2bjj h SER 317 Ca -0.17 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 2bjj h SER 317 Cb 0.76 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2bjj h SER 317 CO 0.25 0.64 0.13 1.23 -0.87 0.00 0.00 176.83 178.21 2bjj h GLY 318 N 1.04 0.66 1.17 -0.77 0.00 -1.96 0.45 103.07 103.65 2bjj h GLY 318 Ca 0.28 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2bjj h GLY 318 CO -0.06 0.36 0.11 1.41 0.00 0.00 0.00 176.54 178.36 2bjj h LEU 319 N 0.50 0.97 -0.57 3.11 3.38 -1.87 -2.69 115.31 118.14 2bjj h LEU 319 Ca 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2bjj h LEU 319 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2bjj h LEU 319 CO -0.01 0.97 0.33 0.22 0.09 0.00 0.00 178.44 180.04 2bjj h TYR 320 N 0.96 0.76 0.00 1.13 5.03 -0.67 -2.86 116.97 121.32 2bjj h TYR 320 Ca 0.19 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.45 2bjj h TYR 320 Cb 0.41 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 2bjj h TYR 320 CO 0.03 0.53 -0.24 -0.07 -1.32 0.00 0.00 178.16 177.09 2bjj h LEU 321 N 0.77 0.00 0.00 2.82 3.38 -0.76 -3.46 115.31 118.05 2bjj h LEU 321 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2bjj h LEU 321 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bjj h LEU 321 CO -0.04 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2bjj n GLY 322 N 0.12 -1.29 0.28 0.83 0.00 -1.03 -4.22 105.19 99.88 2bjj n GLY 322 Ca -0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 2bjj n GLY 322 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bjj h SER 323 N 0.00 0.87 0.05 1.61 4.64 -1.81 -0.26 113.55 118.65 2bjj h SER 323 Ca 0.00 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2bjj h SER 323 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2bjj h SER 323 CO 0.00 0.80 -0.27 1.23 -0.87 0.00 0.00 176.83 177.72 2bjj h GLY 324 N 0.89 -1.21 1.10 -0.77 0.00 -1.88 -1.62 103.07 99.58 2bjj h GLY 324 Ca 0.21 0.60 -0.19 0.00 0.00 0.00 0.00 47.33 47.95 2bjj h GLY 324 CO -0.02 -0.37 -0.59 -1.82 0.00 0.00 0.00 176.54 173.74 2bjj h TYR 325 N -0.37 1.01 -0.39 5.60 3.20 -1.71 -0.93 116.97 123.38 2bjj h TYR 325 Ca -0.00 -0.40 0.04 0.00 3.14 0.00 0.00 58.73 61.51 2bjj h TYR 325 Cb 0.38 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2bjj h TYR 325 CO -0.39 1.21 0.17 0.35 -1.64 0.00 0.00 178.16 177.87 2bjj h PHE 326 N 0.52 0.31 -0.03 -3.82 3.57 -1.11 0.57 116.94 116.95 2bjj h PHE 326 Ca -0.01 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 2bjj h PHE 326 Cb 1.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2bjj h PHE 326 CO 0.08 0.15 -0.81 1.79 -2.23 0.00 0.00 178.31 177.29 2bjj h THR 327 N 0.35 1.43 -0.61 4.41 1.35 -1.19 -2.89 112.91 115.77 2bjj h THR 327 Ca 0.17 -2.36 0.02 0.00 -0.55 0.00 0.00 66.41 63.69 2bjj h THR 327 Cb 0.11 2.29 -0.04 0.00 -1.73 0.00 0.00 68.15 68.79 2bjj h THR 327 CO -0.15 0.70 0.38 0.00 -0.25 0.00 0.00 175.52 176.20 2bjj h ALA 328 N 0.95 0.78 -0.10 6.62 0.00 -0.78 0.60 119.26 127.34 2bjj h ALA 328 Ca -0.04 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2bjj h ALA 328 Cb 1.41 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2bjj h ALA 328 CO 0.13 0.14 -0.12 0.82 0.00 0.00 0.00 179.25 180.21 2bjj h ILE 329 N 0.76 0.67 -0.75 0.00 2.04 -0.86 -2.65 117.51 116.72 2bjj h ILE 329 Ca 0.24 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.13 2bjj h ILE 329 Cb -0.01 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2bjj h ILE 329 CO -0.09 0.00 0.50 1.56 0.00 0.00 0.00 178.15 180.12 2bjj h GLN 330 N -0.16 0.89 0.00 2.37 4.20 -1.26 -2.38 115.11 118.77 2bjj h GLN 330 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2bjj h GLN 330 Cb 0.27 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2bjj h GLN 330 CO -0.19 0.59 0.00 -0.91 -0.67 0.00 0.00 178.83 177.65 2bjj h ASN 331 N 0.92 0.00 0.77 1.46 -0.26 -0.52 -2.52 115.58 115.42 2bjj h ASN 331 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2bjj h ASN 331 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2bjj h ASN 331 CO -0.09 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.46 2bjj n LEU 332 N -2.49 0.36 -0.94 1.61 4.77 -0.90 -2.42 117.00 117.00 2bjj n LEU 332 Ca -0.00 0.57 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 2bjj n LEU 332 Cb 0.13 -0.51 0.23 0.00 -2.33 0.00 0.00 43.42 40.94 2bjj n LEU 332 CO 0.16 -0.34 0.70 0.54 -1.33 0.00 0.00 177.39 177.13 2bjj n ARG 333 N -1.89 2.40 -4.16 3.23 1.74 -0.95 -4.73 116.66 112.30 2bjj n ARG 333 Ca 0.04 -2.95 -0.16 0.00 -0.77 0.00 0.00 57.85 54.01 2bjj n ARG 333 Cb 0.24 -1.81 -0.13 0.00 -1.02 0.00 0.00 32.46 29.75 2bjj n ARG 333 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2bjj s LYS 334 N -2.99 0.62 0.71 5.56 1.02 -1.02 -4.82 119.74 118.82 2bjj s LYS 334 Ca 0.42 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 2bjj s LYS 334 Cb 0.36 -0.51 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 2bjj s LYS 334 CO 0.05 0.12 1.09 -1.54 -0.92 0.00 0.00 175.35 174.15 2bjj s SER 335 N -1.15 4.95 0.63 2.83 1.04 -1.26 -4.81 113.70 115.93 2bjj s SER 335 Ca -0.04 1.85 0.38 0.00 0.48 0.00 0.00 55.95 58.62 2bjj s SER 335 Cb -0.08 -2.53 2.13 0.00 0.10 0.00 0.00 66.02 65.64 2bjj s SER 335 CO 0.01 -1.74 2.30 -0.33 0.98 0.00 0.00 173.24 174.46 2bjj h GLU 336 N -0.55 0.00 -0.03 4.02 5.08 -1.90 -1.39 114.58 119.81 2bjj h GLU 336 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 2bjj h GLU 336 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2bjj h GLU 336 CO 0.54 0.01 -0.33 0.93 -1.00 0.00 0.00 179.01 179.16 2bjj h GLU 337 N 0.00 0.27 -0.33 2.33 3.07 -1.97 -1.82 114.58 116.14 2bjj h GLU 337 Ca -0.00 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 2bjj h GLU 337 Cb 0.04 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2bjj h GLU 337 CO 0.00 0.94 0.15 1.49 -1.40 0.00 0.00 179.01 180.19 2bjj h GLU 338 N -0.31 0.47 -0.72 2.33 4.81 -1.87 -0.61 114.58 118.68 2bjj h GLU 338 Ca -0.03 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2bjj h GLU 338 Cb 1.03 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 2bjj h GLU 338 CO 0.07 0.44 0.44 0.28 -0.73 0.00 0.00 179.01 179.51 2bjj h VAL 339 N 0.39 1.06 0.00 0.32 2.07 -1.33 -1.81 116.25 116.96 2bjj h VAL 339 Ca 0.11 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2bjj h VAL 339 Cb 0.13 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2bjj h VAL 339 CO -0.01 0.16 -0.04 0.00 0.02 0.00 0.00 177.57 177.69 2bjj h ALA 340 N 1.33 0.98 0.04 1.67 0.00 -1.09 -2.50 119.26 119.69 2bjj h ALA 340 Ca 0.30 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 2bjj h ALA 340 Cb 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2bjj h ALA 340 CO -0.13 0.05 -1.07 0.00 0.00 0.00 0.00 179.25 178.10 2bjj h ALA 341 N 1.96 0.07 -0.86 0.00 0.00 -0.71 -2.76 119.26 116.95 2bjj h ALA 341 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2bjj h ALA 341 Cb 0.90 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2bjj h ALA 341 CO 0.01 0.65 0.52 -0.09 0.00 0.00 0.00 179.25 180.33 2bjj h ARG 342 N 0.29 1.17 -0.73 0.00 9.65 -1.23 -2.07 114.38 121.48 2bjj h ARG 342 Ca -0.15 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.58 2bjj h ARG 342 Cb 1.74 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 30.04 2bjj h ARG 342 CO 0.21 0.82 0.27 0.00 2.80 0.00 0.00 179.97 184.07 2bjj h ARG 343 N 1.19 1.09 -0.01 0.20 3.08 -1.48 -2.99 114.38 115.46 2bjj h ARG 343 Ca 0.31 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 2bjj h ARG 343 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2bjj h ARG 343 CO -0.06 0.89 -0.48 0.00 -1.07 0.00 0.00 179.97 179.25 2bjj h ALA 344 N 1.24 1.18 -2.71 0.04 0.00 -1.19 -3.45 119.26 114.37 2bjj h ALA 344 Ca 0.24 -0.44 -0.55 0.00 0.00 0.00 0.00 54.91 54.16 2bjj h ALA 344 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2bjj h ALA 344 CO -0.02 0.61 0.09 0.50 0.00 0.00 0.00 179.25 180.43 2bjj s ARG 345 N -3.93 4.42 -0.29 0.00 3.52 -0.80 -4.94 118.95 116.91 2bjj s ARG 345 Ca -0.02 0.97 -0.10 0.00 -0.13 0.00 0.00 55.73 56.44 2bjj s ARG 345 Cb 0.14 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 2bjj s ARG 345 CO 0.75 0.54 0.17 0.08 -0.81 0.00 0.00 175.30 176.02 2bjj s VAL 346 N -0.91 4.96 -0.45 7.11 1.01 0.49 -4.93 120.40 127.68 2bjj s VAL 346 Ca 0.33 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 2bjj s VAL 346 Cb -0.21 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2bjj s VAL 346 CO 0.23 0.19 0.54 -0.69 0.00 0.00 0.00 175.10 175.37 2bjj s VAL 347 N 1.69 4.96 0.35 2.92 1.01 -1.26 0.01 120.40 130.08 2bjj s VAL 347 Ca 0.06 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 2bjj s VAL 347 Cb -0.16 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 2bjj s VAL 347 CO 0.08 -0.57 0.96 0.86 0.00 0.00 0.00 175.10 176.43 2bjj s TRP 348 N 2.44 3.57 -0.20 5.22 -0.11 0.70 -0.03 118.94 130.54 2bjj s TRP 348 Ca 0.16 1.74 -0.07 0.00 1.22 0.00 0.00 56.10 59.15 2bjj s TRP 348 Cb -0.17 -2.93 -0.03 0.00 -1.50 0.00 0.00 33.47 28.83 2bjj s TRP 348 CO 0.15 0.05 0.05 0.00 -4.62 0.00 0.00 176.95 172.58 2bjj s ALA 350 N 0.80 3.24 -0.43 0.00 0.00 -0.43 -4.72 121.76 120.21 2bjj s ALA 350 Ca 0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 2bjj s ALA 350 Cb -0.14 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.59 2bjj s ALA 350 CO 0.02 0.54 0.28 0.08 0.00 0.00 0.00 175.76 176.68 2bjj s VAL 351 N -0.72 4.28 0.00 0.00 1.01 -1.26 -1.34 120.40 122.37 2bjj s VAL 351 Ca 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2bjj s VAL 351 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2bjj s VAL 351 CO 0.02 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.16 2bjj n GLY 352 N 4.93 -0.57 0.34 4.51 0.00 0.46 -4.33 105.19 110.53 2bjj n GLY 352 Ca -0.10 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 2bjj n GLY 352 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bjj h GLU 353 N 0.00 1.16 -0.29 1.61 3.07 -1.93 -1.40 114.58 116.79 2bjj h GLU 353 Ca 0.00 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 2bjj h GLU 353 Cb 0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 2bjj h GLU 353 CO 0.00 0.78 -0.09 1.96 -1.40 0.00 0.00 179.01 180.26 2bjj h GLN 354 N 1.19 0.57 -0.70 2.33 4.20 -1.97 0.35 115.11 121.07 2bjj h GLN 354 Ca 0.32 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2bjj h GLN 354 Cb -0.12 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2bjj h GLN 354 CO -0.07 0.78 0.30 0.93 -0.67 0.00 0.00 178.83 180.10 2bjj h GLU 355 N 0.33 1.02 -0.38 1.46 5.08 -1.72 -2.64 114.58 117.72 2bjj h GLU 355 Ca 0.07 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2bjj h GLU 355 Cb 0.58 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2bjj h GLU 355 CO 0.03 0.81 0.24 1.25 -1.00 0.00 0.00 179.01 180.35 2bjj h LEU 356 N 1.00 0.41 -0.48 1.33 5.85 -0.72 0.20 115.31 122.91 2bjj h LEU 356 Ca 0.24 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2bjj h LEU 356 Cb 0.16 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2bjj h LEU 356 CO -0.02 0.30 0.30 0.03 -0.34 0.00 0.00 178.44 178.70 2bjj h ARG 357 N 0.49 0.60 -0.67 1.25 3.08 -0.75 0.65 114.38 119.03 2bjj h ARG 357 Ca 0.15 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2bjj h ARG 357 Cb -0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2bjj h ARG 357 CO -0.05 0.39 0.15 -0.22 -1.07 0.00 0.00 179.97 179.17 2bjj h LYS 358 N 0.61 1.08 -0.49 0.04 3.64 -1.30 -2.45 116.57 117.71 2bjj h LYS 358 Ca 0.18 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2bjj h LYS 358 Cb -0.04 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2bjj h LYS 358 CO -0.06 0.96 0.08 0.00 -2.27 0.00 0.00 179.45 178.16 2bjj h ASN 360 N 0.69 0.12 -0.89 0.00 2.35 -0.67 -0.10 115.58 117.09 2bjj h ASN 360 Ca 0.15 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2bjj h ASN 360 Cb 0.40 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 2bjj h ASN 360 CO 0.01 0.07 0.47 1.56 -1.65 0.00 0.00 177.43 177.88 2bjj h GLN 361 N 0.33 1.25 -0.77 0.81 4.20 -1.17 -2.28 115.11 117.48 2bjj h GLN 361 Ca 0.32 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2bjj h GLN 361 Cb 0.44 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 2bjj h GLN 361 CO -0.36 0.93 0.47 2.35 -0.67 0.00 0.00 178.83 181.55 2bjj h TRP 362 N 1.25 1.01 0.91 2.96 7.01 -0.84 -3.19 115.95 125.07 2bjj h TRP 362 Ca 0.31 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.27 2bjj h TRP 362 Cb 0.06 -0.33 0.01 0.00 -2.10 0.00 0.00 29.16 26.79 2bjj h TRP 362 CO 0.01 0.67 -0.44 1.03 -2.79 0.00 0.00 178.44 176.93 2bjj h SER 363 N 1.06 -1.04 -1.70 2.65 0.87 -0.50 -1.92 113.55 112.97 2bjj h SER 363 Ca 0.28 0.04 0.49 0.00 -1.23 0.00 0.00 61.79 61.37 2bjj h SER 363 Cb -0.05 0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 2bjj h SER 363 CO -0.05 -0.70 1.31 1.23 -0.53 0.00 0.00 176.83 178.09 2bjj h GLY 364 N -1.32 0.00 -1.68 5.77 0.00 -1.51 0.04 103.07 104.37 2bjj h GLY 364 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2bjj h GLY 364 CO 0.21 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.79 2bjj n LEU 365 N -3.83 2.81 -0.69 3.11 4.32 -0.79 -4.56 117.00 117.37 2bjj n LEU 365 Ca 0.38 -1.22 0.13 0.00 -0.02 0.00 0.00 56.01 55.28 2bjj n LEU 365 Cb 1.82 -0.09 0.34 0.00 -1.62 0.00 0.00 43.42 43.88 2bjj n LEU 365 CO 0.40 0.55 0.77 -1.54 -1.22 0.00 0.00 177.39 176.35 2bjj n SER 366 N 1.12 2.15 -3.36 -1.43 3.41 0.00 -4.94 113.62 110.57 2bjj n SER 366 Ca 0.13 -1.72 -0.21 0.00 -0.26 0.00 0.00 58.87 56.81 2bjj n SER 366 Cb 0.50 -0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.50 2bjj n SER 366 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bjj n GLU 367 N 0.68 -7.24 0.00 4.33 1.02 -1.26 -2.63 120.64 115.54 2bjj n GLU 367 Ca 0.17 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 2bjj n GLU 367 Cb 0.45 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 2bjj n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bjj n GLY 368 N -1.78 2.77 0.14 0.62 0.00 -1.26 -4.91 105.19 100.76 2bjj n GLY 368 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 2bjj n GLY 368 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bjj h SER 369 N 0.00 0.00 -3.47 1.61 4.64 -1.84 -3.45 113.55 111.04 2bjj h SER 369 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2bjj h SER 369 Cb 0.00 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.77 2bjj h SER 369 CO 0.00 0.57 -0.86 -0.69 -0.87 0.00 0.00 176.83 174.98 2bjj s VAL 370 N -3.20 2.23 0.44 0.95 1.01 -1.26 -0.38 120.40 120.18 2bjj s VAL 370 Ca 0.01 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2bjj s VAL 370 Cb 0.10 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2bjj s VAL 370 CO 0.74 0.56 0.07 0.28 0.00 0.00 0.00 175.10 176.75 2bjj s THR 371 N 0.23 0.91 0.00 3.92 -1.32 0.10 -4.52 115.64 114.97 2bjj s THR 371 Ca -0.15 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.39 2bjj s THR 371 Cb -0.17 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.46 2bjj s THR 371 CO 0.07 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.32 2bjj s SER 373 N -0.60 2.67 0.13 0.00 0.15 0.76 -4.90 113.70 111.92 2bjj s SER 373 Ca 0.06 -1.25 -0.17 0.00 0.70 0.00 0.00 55.95 55.29 2bjj s SER 373 Cb -0.07 -0.15 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 2bjj s SER 373 CO -0.00 -0.43 0.42 -0.94 1.20 0.00 0.00 173.24 173.50 2bjj s SER 374 N -3.46 -0.26 0.27 5.45 1.04 -1.26 -1.32 113.70 114.16 2bjj s SER 374 Ca 0.31 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.37 2bjj s SER 374 Cb 0.05 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 2bjj s SER 374 CO 0.13 -0.87 0.42 0.00 0.98 0.00 0.00 173.24 173.90 2bjj s ALA 375 N -3.80 0.34 -0.95 5.32 0.00 -0.45 -4.91 121.76 117.31 2bjj s ALA 375 Ca 0.03 -1.24 0.24 0.00 0.00 0.00 0.00 51.96 50.99 2bjj s ALA 375 Cb 0.01 1.15 0.24 0.00 0.00 0.00 0.00 23.12 24.52 2bjj s ALA 375 CO -0.12 -0.79 1.22 -1.13 0.00 0.00 0.00 175.76 174.95 2bjj n SER 376 N -0.73 0.66 -4.24 0.00 3.41 -1.26 -0.40 113.62 111.05 2bjj n SER 376 Ca -0.00 -0.45 -0.13 0.00 -0.26 0.00 0.00 58.87 58.02 2bjj n SER 376 Cb 0.62 0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 65.00 2bjj n SER 376 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bjj s THR 377 N -3.03 1.00 0.12 6.66 -4.23 -1.26 -4.41 115.64 110.49 2bjj s THR 377 Ca 0.09 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.41 2bjj s THR 377 Cb 0.17 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2bjj s THR 377 CO 0.76 -0.72 1.69 0.74 -0.54 0.00 0.00 174.62 176.55 2bjj h THR 378 N 2.79 1.17 -0.70 3.99 2.02 -1.91 -2.40 112.91 117.87 2bjj h THR 378 Ca -0.36 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 66.42 2bjj h THR 378 Cb 1.19 0.87 -0.08 0.00 -1.74 0.00 0.00 68.15 68.40 2bjj h THR 378 CO 0.64 0.18 0.32 -0.33 0.37 0.00 0.00 175.52 176.70 2bjj h GLU 379 N 0.41 0.52 -0.75 6.66 5.08 -1.98 0.14 114.58 124.66 2bjj h GLU 379 Ca 0.12 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2bjj h GLU 379 Cb 0.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2bjj h GLU 379 CO -0.01 0.34 0.29 -0.44 -1.00 0.00 0.00 179.01 178.19 2bjj h ASP 380 N 0.53 1.04 -0.70 1.42 3.32 -1.96 -1.28 116.42 118.80 2bjj h ASP 380 Ca 0.35 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2bjj h ASP 380 Cb 0.42 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2bjj h ASP 380 CO -0.30 0.93 0.46 0.00 -1.72 0.00 0.00 179.24 178.60 2bjj h ILE 382 N 0.92 1.10 -0.88 0.00 2.04 -0.14 -1.97 117.51 118.57 2bjj h ILE 382 Ca 0.27 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2bjj h ILE 382 Cb -0.06 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.10 2bjj h ILE 382 CO -0.08 0.16 0.55 0.00 0.00 0.00 0.00 178.15 178.78 2bjj h ALA 383 N 1.31 1.20 -0.64 1.87 0.00 -1.01 -1.45 119.26 120.54 2bjj h ALA 383 Ca 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2bjj h ALA 383 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2bjj h ALA 383 CO -0.11 0.32 0.17 -0.07 0.00 0.00 0.00 179.25 179.55 2bjj h LEU 384 N 1.01 0.93 -0.84 0.00 3.38 -0.78 -1.22 115.31 117.79 2bjj h LEU 384 Ca 0.38 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2bjj h LEU 384 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2bjj h LEU 384 CO -0.16 0.89 -0.38 1.62 0.09 0.00 0.00 178.44 180.50 2bjj h VAL 385 N 0.95 1.30 -0.39 1.22 3.04 -0.83 0.11 116.25 121.64 2bjj h VAL 385 Ca 0.20 -1.49 -0.03 0.00 -1.01 0.00 0.00 66.70 64.37 2bjj h VAL 385 Cb 0.32 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 2bjj h VAL 385 CO -0.00 0.46 0.10 -0.07 -1.01 0.00 0.00 177.57 177.05 2bjj h LEU 386 N 0.34 0.53 -0.19 3.16 3.38 -0.74 -1.46 115.31 120.33 2bjj h LEU 386 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bjj h LEU 386 Cb 0.82 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2bjj h LEU 386 CO 0.07 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.41 2bjj n LYS 387 N -4.33 1.13 -0.88 1.13 5.02 -0.51 -3.30 118.16 116.41 2bjj n LYS 387 Ca 0.02 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2bjj n LYS 387 Cb 0.19 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2bjj n LYS 387 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bjj n GLY 388 N 0.93 0.42 0.26 0.72 0.00 -0.55 -4.78 105.19 102.19 2bjj n GLY 388 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2bjj n GLY 388 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bjj h GLU 389 N 1.14 0.75 -5.32 1.61 5.08 -1.24 -3.45 114.58 113.14 2bjj h GLU 389 Ca 0.00 -0.30 -0.59 0.00 -1.00 0.00 0.00 59.36 57.48 2bjj h GLU 389 Cb 0.21 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.29 2bjj h GLU 389 CO 0.00 0.91 -0.57 0.00 -1.00 0.00 0.00 179.01 178.35 2bjj s ALA 390 N -4.59 3.12 0.00 3.43 0.00 -0.61 -4.94 121.76 118.18 2bjj s ALA 390 Ca -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2bjj s ALA 390 Cb 0.13 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2bjj s ALA 390 CO 0.83 -0.19 0.00 -0.25 0.00 0.00 0.00 175.76 176.15 2bjj n ASP 391 N -1.01 4.04 -3.50 0.00 8.00 0.96 -3.94 116.55 121.10 2bjj n ASP 391 Ca -0.08 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 2bjj n ASP 391 Cb 0.67 0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 42.21 2bjj n ASP 391 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjj s ALA 392 N -1.77 -1.64 -0.13 2.24 0.00 -1.14 -4.11 121.76 115.21 2bjj s ALA 392 Ca 0.00 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 2bjj s ALA 392 Cb 0.00 0.33 0.13 0.00 0.00 0.00 0.00 23.12 23.58 2bjj s ALA 392 CO 0.00 -0.51 1.05 0.00 0.00 0.00 0.00 175.76 176.30 2bjj s MET 393 N -2.17 0.54 0.03 0.00 0.23 -1.24 -0.41 119.30 116.28 2bjj s MET 393 Ca -0.06 -0.09 -0.23 0.00 -1.03 0.00 0.00 55.69 54.27 2bjj s MET 393 Cb -0.00 0.25 -0.06 0.00 -1.53 0.00 0.00 34.83 33.49 2bjj s MET 393 CO 0.01 -0.22 0.69 0.45 -2.03 0.00 0.00 175.02 173.92 2bjj s SER 394 N -1.88 7.11 0.02 -1.18 0.15 -1.26 -1.87 113.70 114.79 2bjj s SER 394 Ca 0.05 1.33 0.05 0.00 0.70 0.00 0.00 55.95 58.07 2bjj s SER 394 Cb -0.01 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 2bjj s SER 394 CO -0.05 0.06 -0.14 -0.76 1.20 0.00 0.00 173.24 173.56 2bjj s LEU 395 N -0.17 2.12 0.54 3.45 1.43 0.71 -4.93 118.68 121.84 2bjj s LEU 395 Ca 0.35 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 2bjj s LEU 395 Cb -0.20 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2bjj s LEU 395 CO 0.20 0.08 1.37 -0.62 0.23 0.00 0.00 176.35 177.62 2bjj s ASP 396 N -0.83 5.26 0.41 2.29 2.15 -1.26 -1.38 116.67 123.32 2bjj s ASP 396 Ca 0.03 2.80 0.19 0.00 0.43 0.00 0.00 52.55 56.00 2bjj s ASP 396 Cb -0.07 -2.64 1.12 0.00 -0.30 0.00 0.00 42.92 41.03 2bjj s ASP 396 CO 0.01 -1.58 1.80 1.23 -0.17 0.00 0.00 175.17 176.46 2bjj h GLY 397 N 1.49 1.04 1.14 2.66 0.00 -1.80 0.16 103.07 107.75 2bjj h GLY 397 Ca -0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 2bjj h GLY 397 CO 0.57 -0.08 0.45 -1.33 0.00 0.00 0.00 176.54 176.15 2bjj h GLY 398 N 0.38 1.20 2.00 4.60 0.00 -1.90 -2.01 103.07 107.35 2bjj h GLY 398 Ca 0.55 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2bjj h GLY 398 CO -0.24 0.52 -0.53 -0.97 0.00 0.00 0.00 176.54 175.31 2bjj h TYR 399 N 1.13 0.00 -0.12 5.60 0.05 -0.83 -2.98 116.97 119.82 2bjj h TYR 399 Ca 0.29 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.03 2bjj h TYR 399 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2bjj h TYR 399 CO 0.01 0.53 -0.09 0.28 -1.05 0.00 0.00 178.16 177.84 2bjj h VAL 400 N 0.00 1.14 0.13 -2.88 2.07 -0.68 0.66 116.25 116.69 2bjj h VAL 400 Ca -0.01 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2bjj h VAL 400 Cb 1.32 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2bjj h VAL 400 CO 0.07 0.19 -0.06 0.22 0.02 0.00 0.00 177.57 178.01 2bjj h TYR 401 N 0.18 -0.16 -0.41 1.57 3.20 -1.23 -0.57 116.97 119.55 2bjj h TYR 401 Ca 0.04 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2bjj h TYR 401 Cb 0.28 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2bjj h TYR 401 CO 0.00 -0.10 0.16 1.15 -1.64 0.00 0.00 178.16 177.74 2bjj h THR 402 N -0.17 1.20 -0.70 1.81 2.02 -1.47 -1.94 112.91 113.66 2bjj h THR 402 Ca -0.02 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.62 2bjj h THR 402 Cb 0.13 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2bjj h THR 402 CO 0.03 0.22 0.41 0.00 0.37 0.00 0.00 175.52 176.54 2bjj h ALA 403 N 1.01 0.94 -0.11 6.16 0.00 -0.78 -1.95 119.26 124.52 2bjj h ALA 403 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2bjj h ALA 403 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bjj h ALA 403 CO -0.01 0.11 -0.01 0.78 0.00 0.00 0.00 179.25 180.12 2bjj h GLY 404 N 0.76 0.21 0.82 0.00 0.00 -0.99 -0.87 103.07 103.00 2bjj h GLY 404 Ca 0.31 -0.17 0.16 0.00 0.00 0.00 0.00 47.33 47.63 2bjj h GLY 404 CO -0.16 0.15 0.43 0.50 0.00 0.00 0.00 176.54 177.46 2bjj h LYS 405 N -0.10 0.00 -0.17 4.80 1.57 -1.21 0.42 116.57 121.88 2bjj h LYS 405 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2bjj h LYS 405 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2bjj h LYS 405 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 2bjj n GLY 407 N 1.02 0.73 3.86 0.00 0.00 0.15 -5.06 105.19 105.89 2bjj n GLY 407 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2bjj n GLY 407 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bjj s LEU 408 N 0.00 3.14 0.05 0.99 1.43 -0.40 -4.70 118.68 119.18 2bjj s LEU 408 Ca 0.00 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.58 2bjj s LEU 408 Cb 0.00 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 2bjj s LEU 408 CO 0.00 -1.11 -0.17 0.68 0.23 0.00 0.00 176.35 175.98 2bjj s VAL 409 N -3.17 1.33 0.40 -1.59 -7.23 -0.11 -4.02 120.40 106.01 2bjj s VAL 409 Ca 0.56 -1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 59.33 2bjj s VAL 409 Cb -0.12 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 2bjj s VAL 409 CO 0.54 0.03 1.38 -2.16 -0.31 0.00 0.00 175.10 174.59 2bjj s PRO 410 N -1.28 3.97 0.00 4.82 0.04 -1.26 -1.46 135.00 139.83 2bjj s PRO 410 Ca 0.03 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2bjj s PRO 410 Cb -0.09 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2bjj s PRO 410 CO 0.02 -0.56 0.00 1.55 0.04 0.00 0.00 177.00 178.05 2bjj n VAL 411 N 0.21 0.00 -3.85 -0.36 3.14 0.12 -4.84 118.33 112.75 2bjj n VAL 411 Ca 0.03 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.29 2bjj n VAL 411 Cb 0.42 -0.48 -0.10 0.00 -1.06 0.00 0.00 33.84 32.62 2bjj n VAL 411 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2bjj s LEU 412 N -4.72 1.45 0.08 6.55 1.43 -1.22 -4.58 118.68 117.67 2bjj s LEU 412 Ca 0.00 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2bjj s LEU 412 Cb 0.00 0.75 -0.04 0.00 0.03 0.00 0.00 46.19 46.93 2bjj s LEU 412 CO 0.00 -0.36 -0.08 0.00 0.23 0.00 0.00 176.35 176.14 2bjj s ALA 413 N -1.29 3.01 -0.01 4.21 0.00 -0.19 -0.01 121.76 127.49 2bjj s ALA 413 Ca -0.14 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 2bjj s ALA 413 Cb -0.07 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 2bjj s ALA 413 CO 0.02 0.64 1.71 -1.21 0.00 0.00 0.00 175.76 176.92 2bjj s GLU 414 N -2.04 4.18 -0.12 0.00 2.02 -0.18 -0.41 118.70 122.15 2bjj s GLU 414 Ca 0.21 2.29 -0.06 0.00 0.02 0.00 0.00 54.97 57.43 2bjj s GLU 414 Cb -0.11 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.15 2bjj s GLU 414 CO 0.13 -0.84 0.11 1.21 0.02 0.00 0.00 175.26 175.90 2bjj s ASN 415 N 3.31 6.16 0.23 -0.19 3.84 -0.12 -4.58 114.94 123.60 2bjj s ASN 415 Ca 0.76 0.39 0.11 0.00 0.21 0.00 0.00 52.86 54.33 2bjj s ASN 415 Cb -0.36 -1.97 -0.05 0.00 -0.55 0.00 0.00 41.25 38.32 2bjj s ASN 415 CO 0.32 0.38 -0.21 -0.31 -2.79 0.00 0.00 177.10 174.49 2bjj s TYR 416 N -0.85 2.24 -0.35 0.43 2.02 -1.26 -0.13 117.35 119.44 2bjj s TYR 416 Ca 0.14 -0.36 -0.44 0.00 -0.37 0.00 0.00 57.07 56.04 2bjj s TYR 416 Cb -0.12 -1.04 -0.20 0.00 -0.40 0.00 0.00 41.96 40.20 2bjj s TYR 416 CO 0.03 0.59 1.42 1.17 -1.57 0.00 0.00 175.55 177.19 2bjj n LYS 417 N -0.17 0.00 -2.72 -0.62 4.81 -1.26 -4.84 118.16 113.36 2bjj n LYS 417 Ca -0.09 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.94 2bjj n LYS 417 Cb 0.58 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 34.12 2bjj n LYS 417 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2bjj s SER 418 N 2.10 7.43 -0.89 3.14 0.15 -1.26 -4.85 113.70 119.52 2bjj s SER 418 Ca 0.99 1.72 -0.18 0.00 0.70 0.00 0.00 55.95 59.18 2bjj s SER 418 Cb -1.40 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 60.09 2bjj s SER 418 CO 0.73 -0.16 2.32 0.00 1.20 0.00 0.00 173.24 177.33 2bjj n GLN 419 N 3.35 0.28 -3.67 5.44 0.00 -1.26 -2.28 117.38 119.24 2bjj n GLN 419 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 57.00 56.44 2bjj n GLN 419 Cb 0.50 -2.20 -0.06 0.00 0.00 0.00 0.00 30.24 28.48 2bjj n GLN 419 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2bjj n GLN 420 N 7.24 -0.81 0.00 2.61 3.00 -1.26 -4.72 117.38 123.44 2bjj n GLN 420 Ca 0.58 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 2bjj n GLN 420 Cb 0.26 -3.27 0.00 0.00 0.00 0.00 0.00 30.24 27.23 2bjj n GLN 420 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bjj n SER 421 N -1.55 1.90 -4.40 1.08 2.88 -0.96 -5.08 113.62 107.48 2bjj n SER 421 Ca 0.06 -0.13 -0.20 0.00 -1.33 0.00 0.00 58.87 57.27 2bjj n SER 421 Cb 0.33 0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 64.32 2bjj n SER 421 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2bjj s SER 422 N -1.01 2.15 0.03 -3.46 1.04 -1.25 -5.07 113.70 106.13 2bjj s SER 422 Ca 0.00 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2bjj s SER 422 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2bjj s SER 422 CO 0.00 -0.57 0.03 0.47 0.98 0.00 0.00 173.24 174.15 2bjj n ASP 423 N -0.59 0.70 -4.54 7.02 9.92 -1.26 -4.85 116.55 122.95 2bjj n ASP 423 Ca -0.03 -1.09 -0.18 0.00 -0.53 0.00 0.00 54.79 52.96 2bjj n ASP 423 Cb 0.66 -0.01 -0.13 0.00 -0.64 0.00 0.00 41.12 41.00 2bjj n ASP 423 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2bjj n PRO 424 N -0.77 0.37 -3.12 -0.24 -0.02 -1.26 -4.86 135.00 125.10 2bjj n PRO 424 Ca 0.00 -0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 60.58 2bjj n PRO 424 Cb 0.03 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 30.77 2bjj n PRO 424 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2bjj s ASP 425 N 7.14 6.42 0.55 2.55 -1.08 -1.26 -4.93 116.67 126.06 2bjj s ASP 425 Ca 1.08 0.16 0.27 0.00 -0.52 0.00 0.00 52.55 53.54 2bjj s ASP 425 Cb -0.42 -2.32 1.61 0.00 -1.46 0.00 0.00 42.92 40.33 2bjj s ASP 425 CO 0.27 -0.57 2.17 1.55 0.52 0.00 0.00 175.17 179.12 2bjj h PRO 426 N 8.43 0.00 -0.68 4.34 0.13 -2.04 -3.06 132.00 139.12 2bjj h PRO 426 Ca -0.27 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.58 2bjj h PRO 426 Cb 1.11 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.07 2bjj h PRO 426 CO 0.83 0.05 0.28 0.09 -0.23 0.00 0.00 178.00 179.02 2bjj n ASN 427 N -3.87 3.82 -0.31 1.44 4.13 -1.26 -4.66 115.26 114.56 2bjj n ASN 427 Ca -0.03 -3.46 0.06 0.00 1.68 0.00 0.00 54.58 52.83 2bjj n ASN 427 Cb 0.14 -0.73 0.21 0.00 -1.54 0.00 0.00 39.78 37.86 2bjj n ASN 427 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bjj h VAL 429 N 0.76 0.94 -0.01 0.00 2.07 -1.83 -2.57 116.25 115.60 2bjj h VAL 429 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 2bjj h VAL 429 Cb 0.52 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2bjj h VAL 429 CO -0.30 0.00 -0.08 0.47 0.02 0.00 0.00 177.57 177.68 2bjj n ASP 430 N -4.46 1.93 -4.65 0.57 8.00 -1.08 -1.60 116.55 115.26 2bjj n ASP 430 Ca -0.02 -1.46 -0.43 0.00 0.71 0.00 0.00 54.79 53.59 2bjj n ASP 430 Cb 0.11 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 2bjj n ASP 430 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2bjj s ARG 431 N -1.29 4.08 0.60 -1.24 3.52 -0.87 -4.96 118.95 118.79 2bjj s ARG 431 Ca 0.14 1.77 -0.20 0.00 -0.13 0.00 0.00 55.73 57.32 2bjj s ARG 431 Cb 0.11 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 2bjj s ARG 431 CO 0.22 -0.92 1.27 -2.30 -0.81 0.00 0.00 175.30 172.75 2bjj n PRO 432 N 7.08 1.30 -2.26 5.12 -0.02 -1.26 -4.87 135.00 140.08 2bjj n PRO 432 Ca 0.16 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 2bjj n PRO 432 Cb 0.44 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2bjj n PRO 432 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2bjj s VAL 433 N -1.36 3.33 -0.87 -1.45 -7.23 -1.26 -4.98 120.40 106.57 2bjj s VAL 433 Ca 0.77 0.80 0.08 0.00 -1.81 0.00 0.00 61.98 61.82 2bjj s VAL 433 Cb -0.40 -3.31 0.03 0.00 0.56 0.00 0.00 36.38 33.26 2bjj s VAL 433 CO 0.45 -0.21 0.65 -0.62 -0.31 0.00 0.00 175.10 175.06 2bjj n GLU 434 N -1.37 1.26 -0.05 4.82 1.02 -1.26 -5.08 120.64 119.98 2bjj n GLU 434 Ca 0.11 -0.75 0.01 0.00 -0.02 0.00 0.00 57.16 56.51 2bjj n GLU 434 Cb 0.51 -1.08 -0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2bjj n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bjj n GLY 435 N 0.65 -2.19 3.43 0.62 0.00 -1.26 -5.01 105.19 101.42 2bjj n GLY 435 Ca 0.04 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 2bjj n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bjj s TYR 436 N -2.38 1.98 -0.24 1.61 1.13 0.04 -4.89 117.35 114.60 2bjj s TYR 436 Ca 0.00 -0.60 -0.15 0.00 -1.41 0.00 0.00 57.07 54.90 2bjj s TYR 436 Cb 0.00 -1.05 -0.04 0.00 -1.10 0.00 0.00 41.96 39.77 2bjj s TYR 436 CO 0.00 0.38 0.39 -0.51 -2.51 0.00 0.00 175.55 173.30 2bjj s LEU 437 N -3.44 4.08 -0.16 -3.49 2.01 -1.26 0.23 118.68 116.65 2bjj s LEU 437 Ca 0.28 0.39 -0.29 0.00 0.01 0.00 0.00 54.13 54.52 2bjj s LEU 437 Cb 0.01 -2.47 -0.00 0.00 0.01 0.00 0.00 46.19 43.74 2bjj s LEU 437 CO 0.12 -0.15 1.01 0.00 1.01 0.00 0.00 176.35 178.33 2bjj s ALA 438 N 1.79 3.52 0.16 4.21 0.00 -0.16 -2.74 121.76 128.54 2bjj s ALA 438 Ca 0.17 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.47 2bjj s ALA 438 Cb -0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2bjj s ALA 438 CO 0.09 -0.78 -0.15 0.14 0.00 0.00 0.00 175.76 175.06 2bjj s VAL 439 N 2.47 1.60 -0.42 0.00 -7.23 0.33 -0.06 120.40 117.09 2bjj s VAL 439 Ca 0.46 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 2bjj s VAL 439 Cb -0.17 -1.82 0.05 0.00 0.56 0.00 0.00 36.38 35.00 2bjj s VAL 439 CO 0.13 -0.47 0.28 0.00 -0.31 0.00 0.00 175.10 174.73 2bjj s ALA 440 N -2.48 3.40 -0.09 1.32 0.00 -1.26 -2.25 121.76 120.39 2bjj s ALA 440 Ca 0.16 -1.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.10 2bjj s ALA 440 Cb -0.03 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 2bjj s ALA 440 CO 0.05 -1.54 0.29 0.08 0.00 0.00 0.00 175.76 174.64 2bjj s VAL 441 N 1.58 5.26 0.23 0.00 1.01 -0.06 -1.15 120.40 127.27 2bjj s VAL 441 Ca 0.03 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.60 2bjj s VAL 441 Cb -0.21 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2bjj s VAL 441 CO 0.07 0.52 0.04 0.68 0.00 0.00 0.00 175.10 176.41 2bjj s VAL 442 N -0.53 0.74 0.34 2.92 -7.23 0.39 -1.38 120.40 115.65 2bjj s VAL 442 Ca 0.19 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.08 2bjj s VAL 442 Cb -0.14 -2.42 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 2bjj s VAL 442 CO 0.07 -0.22 1.20 -0.13 -0.31 0.00 0.00 175.10 175.72 2bjj s ARG 443 N -3.95 4.32 0.21 4.82 0.52 -1.26 -0.62 118.95 122.99 2bjj s ARG 443 Ca 0.31 1.97 -0.09 0.00 -0.52 0.00 0.00 55.73 57.40 2bjj s ARG 443 Cb 0.07 -2.96 0.22 0.00 0.52 0.00 0.00 34.95 32.80 2bjj s ARG 443 CO 0.10 -0.13 1.84 -0.09 0.02 0.00 0.00 175.30 177.03 2bjj h ARG 444 N 3.22 0.81 -1.07 3.54 2.43 -1.33 -3.01 114.38 118.97 2bjj h ARG 444 Ca -0.48 -0.05 0.30 0.00 -0.81 0.00 0.00 59.98 58.93 2bjj h ARG 444 Cb 1.23 -0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.48 2bjj h ARG 444 CO 0.65 0.53 0.67 0.77 -1.51 0.00 0.00 179.97 181.08 2bjj h SER 445 N 0.83 0.47 0.00 -3.80 0.02 -1.94 -3.26 113.55 105.87 2bjj h SER 445 Ca 0.30 0.12 -0.60 0.00 -0.84 0.00 0.00 61.79 60.76 2bjj h SER 445 Cb 0.08 0.05 0.03 0.00 0.14 0.00 0.00 62.40 62.69 2bjj h SER 445 CO -0.13 0.02 3.53 0.47 -1.14 0.00 0.00 176.83 179.57 2bjj n ASP 446 N -4.74 7.66 -0.09 3.07 8.00 -1.14 -4.72 116.55 124.59 2bjj n ASP 446 Ca 0.28 -2.52 0.24 0.00 0.71 0.00 0.00 54.79 53.51 2bjj n ASP 446 Cb 0.95 -1.44 0.71 0.00 -0.02 0.00 0.00 41.12 41.32 2bjj n ASP 446 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2bjj h THR 447 N 3.15 0.64 0.00 -3.53 1.35 -1.83 -2.24 112.91 110.45 2bjj h THR 447 Ca 0.77 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.63 2bjj h THR 447 Cb 0.26 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2bjj h THR 447 CO 1.71 0.00 -0.55 0.77 -0.25 0.00 0.00 175.52 177.20 2bjj h SER 448 N 0.00 0.00 -2.94 5.36 4.64 -1.93 -3.46 113.55 115.23 2bjj h SER 448 Ca 0.34 -0.11 -0.57 0.00 -0.47 0.00 0.00 61.79 60.98 2bjj h SER 448 Cb 1.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.40 2bjj h SER 448 CO -0.00 0.05 0.88 -0.22 -0.87 0.00 0.00 176.83 176.67 2bjj s LEU 449 N -4.79 4.18 0.36 5.97 2.96 -0.84 -4.94 118.68 121.58 2bjj s LEU 449 Ca 0.05 1.67 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 2bjj s LEU 449 Cb 0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 2bjj s LEU 449 CO 0.71 -0.74 0.11 0.42 -1.32 0.00 0.00 176.35 175.53 2bjj s THR 450 N 3.38 0.75 0.38 3.68 -4.23 -1.26 -5.00 115.64 113.33 2bjj s THR 450 Ca 0.54 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 2bjj s THR 450 Cb -0.21 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.44 2bjj s THR 450 CO 0.14 0.00 1.88 -0.25 -0.54 0.00 0.00 174.62 175.85 2bjj h TRP 451 N 1.98 0.71 0.00 3.99 2.91 -1.83 -2.43 115.95 121.28 2bjj h TRP 451 Ca -0.37 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.61 2bjj h TRP 451 Cb 1.26 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 2bjj h TRP 451 CO 1.09 0.25 -0.27 -0.91 -1.03 0.00 0.00 178.44 177.57 2bjj h ASN 452 N 0.59 0.00 -0.38 2.65 2.35 -1.91 -3.05 115.58 115.84 2bjj h ASN 452 Ca 0.43 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.92 2bjj h ASN 452 Cb 0.81 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.98 2bjj h ASN 452 CO -0.18 0.27 -0.52 -1.54 -1.65 0.00 0.00 177.43 173.81 2bjj n SER 453 N -3.51 3.30 -0.00 5.81 3.41 -0.93 -4.70 113.62 116.98 2bjj n SER 453 Ca -0.00 -3.83 -0.08 0.00 -0.26 0.00 0.00 58.87 54.70 2bjj n SER 453 Cb 0.43 -0.49 -0.13 0.00 -0.26 0.00 0.00 64.21 63.76 2bjj n SER 453 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2bjj h VAL 454 N 1.47 0.97 -2.65 -3.33 3.04 -1.39 -3.43 116.25 110.93 2bjj h VAL 454 Ca 0.20 -2.77 -0.60 0.00 -1.01 0.00 0.00 66.70 62.52 2bjj h VAL 454 Cb 1.30 2.47 0.09 0.00 -2.01 0.00 0.00 31.29 33.14 2bjj h VAL 454 CO 0.41 0.55 0.43 0.29 -1.01 0.00 0.00 177.57 178.25 2bjj n LYS 455 N -3.09 1.77 0.00 4.17 5.02 -1.26 -2.29 118.16 122.48 2bjj n LYS 455 Ca -0.13 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2bjj n LYS 455 Cb 1.02 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2bjj n LYS 455 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bjj n GLY 456 N 1.65 2.81 0.32 0.72 0.00 -0.15 -4.99 105.19 105.54 2bjj n GLY 456 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 2bjj n GLY 456 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bjj n LYS 457 N -2.00 -0.26 -3.81 1.61 4.01 -0.97 -2.77 118.16 113.97 2bjj n LYS 457 Ca 0.00 -0.17 -0.36 0.00 -0.51 0.00 0.00 58.31 57.27 2bjj n LYS 457 Cb 0.00 -0.12 -0.07 0.00 -0.51 0.00 0.00 35.03 34.33 2bjj n LYS 457 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2bjj s LYS 458 N -3.24 3.76 -0.00 1.97 1.02 -1.26 -1.70 119.74 120.29 2bjj s LYS 458 Ca 0.06 -0.16 0.06 0.00 0.02 0.00 0.00 55.97 55.95 2bjj s LYS 458 Cb -0.00 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2bjj s LYS 458 CO 0.04 0.58 -0.19 -1.54 -0.92 0.00 0.00 175.35 173.32 2bjj s SER 459 N -0.45 2.29 -0.19 2.83 1.04 -0.53 0.13 113.70 118.83 2bjj s SER 459 Ca 0.12 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 2bjj s SER 459 Cb -0.12 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 2bjj s SER 459 CO 0.02 0.22 -0.05 0.00 0.98 0.00 0.00 173.24 174.40 2bjj s HIS 461 N 1.00 2.28 0.10 0.00 3.76 0.26 -1.37 115.29 121.32 2bjj s HIS 461 Ca 0.00 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.25 2bjj s HIS 461 Cb -0.15 -1.30 -0.12 0.00 1.11 0.00 0.00 32.58 32.12 2bjj s HIS 461 CO 0.00 0.22 1.67 1.79 -0.85 0.00 0.00 174.74 177.57 2bjj h THR 462 N 4.08 0.58 -1.86 1.30 1.35 -1.75 -3.40 112.91 113.21 2bjj h THR 462 Ca -0.48 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 65.59 2bjj h THR 462 Cb 1.16 0.58 -0.15 0.00 -1.73 0.00 0.00 68.15 68.01 2bjj h THR 462 CO 0.41 0.00 0.66 0.00 -0.25 0.00 0.00 175.52 176.35 2bjj s ALA 463 N -6.11 -1.96 0.33 6.62 0.00 -1.26 -0.77 121.76 118.61 2bjj s ALA 463 Ca -0.15 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 2bjj s ALA 463 Cb 0.06 0.26 -0.10 0.00 0.00 0.00 0.00 23.12 23.34 2bjj s ALA 463 CO 0.65 -0.78 1.34 0.54 0.00 0.00 0.00 175.76 177.51 2bjj s VAL 464 N -2.78 2.61 0.00 0.00 0.11 -0.00 -3.22 120.40 117.12 2bjj s VAL 464 Ca 0.09 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 2bjj s VAL 464 Cb 0.00 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 2bjj s VAL 464 CO -0.05 0.14 0.00 0.47 -3.33 0.00 0.00 175.10 172.34 2bjj n ASP 465 N 0.84 -2.07 -4.87 3.54 8.00 -1.26 -4.96 116.55 115.76 2bjj n ASP 465 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.19 2bjj n ASP 465 Cb 0.41 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 2bjj n ASP 465 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2bjj s ARG 466 N -0.12 3.81 0.00 -1.24 0.52 -1.20 -3.92 118.95 116.81 2bjj s ARG 466 Ca 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2bjj s ARG 466 Cb 0.00 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.86 2bjj s ARG 466 CO 0.00 0.27 0.84 2.41 0.02 0.00 0.00 175.30 178.84 2bjj n THR 467 N -0.27 0.00 -0.17 0.02 -1.04 -1.26 -0.73 114.28 110.82 2bjj n THR 467 Ca 0.01 1.34 -0.10 0.00 -2.04 0.00 0.00 64.05 63.26 2bjj n THR 467 Cb 0.53 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 2bjj n THR 467 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bjj h ALA 468 N -1.69 0.68 0.00 2.41 0.00 -1.90 -1.92 119.26 116.83 2bjj h ALA 468 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bjj h ALA 468 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2bjj h ALA 468 CO 0.00 0.51 -0.02 0.78 0.00 0.00 0.00 179.25 180.52 2bjj h GLY 469 N 0.76 0.00 0.00 0.00 0.00 -1.66 -3.38 103.07 98.78 2bjj h GLY 469 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2bjj h GLY 469 CO 0.03 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.44 2bjj n TRP 470 N -3.11 -1.48 -0.15 5.60 -0.00 -0.48 -4.28 117.44 113.54 2bjj n TRP 470 Ca 0.02 0.27 0.05 0.00 -0.00 0.00 0.00 57.50 57.84 2bjj n TRP 470 Cb 0.41 0.79 0.35 0.00 -0.00 0.00 0.00 31.31 32.86 2bjj n TRP 470 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2bjj h ASN 471 N 0.00 0.66 0.15 5.87 -0.26 -0.81 -0.61 115.58 120.58 2bjj h ASN 471 Ca 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2bjj h ASN 471 Cb 0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 2bjj h ASN 471 CO 0.00 0.45 -0.07 0.40 -1.06 0.00 0.00 177.43 177.15 2bjj h ILE 472 N 0.77 0.00 -0.07 2.81 2.04 -1.59 -1.66 117.51 119.81 2bjj h ILE 472 Ca 0.27 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2bjj h ILE 472 Cb 0.11 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2bjj h ILE 472 CO -0.08 0.00 0.04 1.55 0.00 0.00 0.00 178.15 179.67 2bjj h PRO 473 N -1.03 0.10 -0.41 2.37 0.13 -1.76 -0.62 132.00 130.77 2bjj h PRO 473 Ca -0.02 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 2bjj h PRO 473 Cb 0.16 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 2bjj h PRO 473 CO 0.03 0.11 0.04 0.52 -0.23 0.00 0.00 178.00 178.48 2bjj h MET 474 N 0.06 0.64 -0.79 0.86 2.86 -1.29 -1.73 114.93 115.53 2bjj h MET 474 Ca 0.03 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2bjj h MET 474 Cb 0.03 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2bjj h MET 474 CO -0.00 0.63 0.31 0.78 1.06 0.00 0.00 176.91 179.68 2bjj h GLY 475 N 0.88 1.28 1.00 8.32 0.00 -1.09 0.11 103.07 113.57 2bjj h GLY 475 Ca 0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 2bjj h GLY 475 CO 0.01 0.67 0.28 1.41 0.00 0.00 0.00 176.54 178.90 2bjj h LEU 476 N 1.16 0.83 -0.22 3.11 3.38 -0.66 -2.36 115.31 120.54 2bjj h LEU 476 Ca 0.26 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2bjj h LEU 476 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2bjj h LEU 476 CO -0.02 0.75 -0.30 -0.07 0.09 0.00 0.00 178.44 178.89 2bjj h LEU 477 N 0.86 0.65 -1.53 1.67 3.38 -1.18 -2.83 115.31 116.32 2bjj h LEU 477 Ca 0.21 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2bjj h LEU 477 Cb 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2bjj h LEU 477 CO -0.02 1.02 0.40 0.15 0.09 0.00 0.00 178.44 180.09 2bjj h PHE 478 N 0.28 0.57 -0.02 1.13 3.57 -0.80 -2.20 116.94 119.48 2bjj h PHE 478 Ca 0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2bjj h PHE 478 Cb 0.87 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2bjj h PHE 478 CO 0.08 0.30 -0.18 -0.97 -2.23 0.00 0.00 178.31 175.31 2bjj h ASN 479 N 0.57 0.03 0.00 0.41 -1.24 -1.16 -1.64 115.58 112.55 2bjj h ASN 479 Ca 0.27 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2bjj h ASN 479 Cb 0.32 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2bjj h ASN 479 CO -0.08 0.22 -0.02 1.56 -1.29 0.00 0.00 177.43 177.81 2bjj h GLN 480 N 0.03 0.00 -0.80 6.67 4.20 -1.44 -3.42 115.11 120.36 2bjj h GLN 480 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2bjj h GLN 480 Cb 0.34 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 2bjj h GLN 480 CO 0.02 0.00 0.50 1.79 -0.67 0.00 0.00 178.83 180.47 2bjj h THR 481 N -0.33 1.22 0.00 -0.54 1.35 -1.46 -3.46 112.91 109.68 2bjj h THR 481 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2bjj h THR 481 Cb 0.02 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.53 2bjj h THR 481 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2bjj n GLY 482 N -1.24 2.22 3.72 5.82 0.00 -0.62 -5.04 105.19 110.06 2bjj n GLY 482 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2bjj n GLY 482 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bjj s SER 483 N -3.57 7.45 0.00 1.61 0.15 -1.26 -4.91 113.70 113.17 2bjj s SER 483 Ca 0.00 1.74 0.28 0.00 0.70 0.00 0.00 55.95 58.67 2bjj s SER 483 Cb 0.00 -2.58 1.32 0.00 -1.71 0.00 0.00 66.02 63.05 2bjj s SER 483 CO 0.00 -0.12 1.89 0.00 1.20 0.00 0.00 173.24 176.21 2bjj s LYS 485 N -1.98 4.09 0.52 0.00 2.20 -1.26 -4.81 119.74 118.50 2bjj s LYS 485 Ca 0.40 -2.59 0.30 0.00 -0.36 0.00 0.00 55.97 53.72 2bjj s LYS 485 Cb 0.20 -5.06 1.29 0.00 -1.51 0.00 0.00 37.83 32.76 2bjj s LYS 485 CO 0.33 -1.76 1.97 0.74 -0.36 0.00 0.00 175.35 176.27 2bjj h PHE 486 N 7.14 0.00 -0.05 4.03 0.04 -2.01 -2.78 116.94 123.31 2bjj h PHE 486 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2bjj h PHE 486 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 2bjj h PHE 486 CO 1.10 0.10 0.00 -0.40 -0.60 0.00 0.00 178.31 178.50 2bjj n ASP 487 N -3.28 0.43 -0.17 2.17 5.75 -1.26 -3.23 116.55 116.97 2bjj n ASP 487 Ca -0.00 -1.55 0.02 0.00 -0.01 0.00 0.00 54.79 53.25 2bjj n ASP 487 Cb 0.32 -0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.42 2bjj n ASP 487 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bjj n GLU 488 N -0.48 1.61 -0.07 0.11 1.02 -1.05 -4.55 120.64 117.23 2bjj n GLU 488 Ca 0.13 -1.29 -0.05 0.00 -0.02 0.00 0.00 57.16 55.93 2bjj n GLU 488 Cb 0.13 -1.07 0.15 0.00 -0.02 0.00 0.00 31.44 30.62 2bjj n GLU 488 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2bjj h TYR 489 N 0.62 0.78 -3.99 -0.32 -1.99 -1.67 -3.45 116.97 106.94 2bjj h TYR 489 Ca 0.00 -0.15 -0.39 0.00 2.00 0.00 0.00 58.73 60.20 2bjj h TYR 489 Cb 0.40 -0.20 -0.24 0.00 2.00 0.00 0.00 36.73 38.70 2bjj h TYR 489 CO 0.04 0.81 -0.77 -0.06 -0.00 0.00 0.00 178.16 178.18 2bjj s PHE 490 N -4.73 1.00 0.14 4.88 0.08 -1.26 -0.98 117.98 117.12 2bjj s PHE 490 Ca -0.09 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 56.41 2bjj s PHE 490 Cb 0.14 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2bjj s PHE 490 CO 0.81 0.01 1.74 0.66 -0.10 0.00 0.00 175.22 178.34 2bjj h SER 491 N 4.86 0.06 -5.06 1.36 4.64 -1.14 -3.45 113.55 114.82 2bjj h SER 491 Ca -0.37 0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.88 2bjj h SER 491 Cb 1.19 0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 63.14 2bjj h SER 491 CO 0.43 0.07 -0.38 -1.10 -0.87 0.00 0.00 176.83 174.98 2bjj s GLN 492 N -6.17 0.69 0.10 4.77 -0.21 -1.26 -4.89 119.66 112.69 2bjj s GLN 492 Ca -0.13 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 2bjj s GLN 492 Cb 0.11 0.29 0.01 0.00 1.00 0.00 0.00 33.01 34.42 2bjj s GLN 492 CO 0.70 -0.20 0.28 -1.12 -2.12 0.00 0.00 175.29 172.83 2bjj s SER 493 N -1.98 -0.04 -0.31 5.90 0.01 0.08 -1.46 113.70 115.91 2bjj s SER 493 Ca -0.06 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 2bjj s SER 493 Cb -0.02 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.64 2bjj s SER 493 CO -0.03 -0.78 0.05 0.00 0.41 0.00 0.00 173.24 172.90 2bjj s ALA 495 N 1.37 2.13 0.34 0.00 0.00 0.35 -0.57 121.76 125.38 2bjj s ALA 495 Ca -0.02 -2.81 -0.26 0.00 0.00 0.00 0.00 51.96 48.88 2bjj s ALA 495 Cb -0.19 -1.79 -0.13 0.00 0.00 0.00 0.00 23.12 21.01 2bjj s ALA 495 CO 0.01 -2.03 0.86 -2.30 0.00 0.00 0.00 175.76 172.30 2bjj n PRO 496 N 2.80 1.04 -0.19 0.00 -0.02 -1.26 -2.55 135.00 134.82 2bjj n PRO 496 Ca 0.23 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2bjj n PRO 496 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2bjj n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjj n GLY 497 N 1.42 0.66 3.95 -1.23 0.00 0.21 -0.82 105.19 109.37 2bjj n GLY 497 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2bjj n GLY 497 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bjj s SER 498 N -2.88 4.79 -0.01 1.61 0.01 -1.06 -4.92 113.70 111.23 2bjj s SER 498 Ca 0.00 0.20 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 2bjj s SER 498 Cb 0.00 -0.85 -0.07 0.00 0.21 0.00 0.00 66.02 65.31 2bjj s SER 498 CO 0.00 -1.57 1.84 -0.62 0.41 0.00 0.00 173.24 173.31 2bjj s ASP 499 N -4.54 6.50 0.60 2.44 -1.08 -1.26 -4.88 116.67 114.45 2bjj s ASP 499 Ca 0.61 2.45 0.29 0.00 -0.52 0.00 0.00 52.55 55.37 2bjj s ASP 499 Cb -0.10 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.37 2bjj s ASP 499 CO 0.43 -1.04 1.94 -0.65 0.52 0.00 0.00 175.17 176.38 2bjj h PRO 500 N 10.34 0.00 0.00 4.34 0.11 -1.93 -0.09 132.00 144.78 2bjj h PRO 500 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2bjj h PRO 500 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2bjj h PRO 500 CO 0.95 0.00 -0.61 -2.13 -0.21 0.00 0.00 178.00 175.99 2bjj n ARG 501 N -3.60 0.02 -1.72 1.05 0.63 -1.26 -4.77 116.66 107.01 2bjj n ARG 501 Ca 0.05 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.69 2bjj n ARG 501 Cb 0.55 -1.51 0.09 0.00 0.45 0.00 0.00 32.46 32.04 2bjj n ARG 501 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2bjj s SER 502 N -3.07 4.53 0.59 6.15 1.04 -0.05 -4.96 113.70 117.93 2bjj s SER 502 Ca 0.10 1.06 0.39 0.00 0.48 0.00 0.00 55.95 57.97 2bjj s SER 502 Cb 0.17 -1.72 1.90 0.00 0.10 0.00 0.00 66.02 66.48 2bjj s SER 502 CO 0.74 -1.92 2.16 0.78 0.98 0.00 0.00 173.24 175.98 2bjj h ASN 503 N -1.06 0.00 1.24 7.02 2.35 -1.88 -2.65 115.58 120.60 2bjj h ASN 503 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2bjj h ASN 503 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2bjj h ASN 503 CO 0.63 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 176.34 2bjj h LEU 504 N 0.00 0.00 -0.94 1.61 3.38 -1.86 0.34 115.31 117.83 2bjj h LEU 504 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bjj h LEU 504 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2bjj h LEU 504 CO 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 178.23 2bjj h ALA 506 N 2.79 1.34 -0.00 0.00 0.00 -1.19 -1.94 119.26 120.26 2bjj h ALA 506 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bjj h ALA 506 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bjj h ALA 506 CO 0.00 -0.00 -0.34 1.28 0.00 0.00 0.00 179.25 180.19 2bjj n LEU 507 N -4.80 0.53 -4.76 0.00 4.77 -0.44 -4.91 117.00 107.40 2bjj n LEU 507 Ca 0.17 0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.78 2bjj n LEU 507 Cb 0.41 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2bjj n LEU 507 CO 0.23 0.12 0.94 0.00 -1.33 0.00 0.00 177.39 177.35 2bjj n ILE 509 N -0.27 0.00 -4.09 0.00 -5.35 -1.26 -4.83 119.36 103.57 2bjj n ILE 509 Ca 0.06 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2bjj n ILE 509 Cb 0.45 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 2bjj n ILE 509 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bjj n GLY 510 N 1.41 -1.42 0.52 3.28 0.00 -1.26 -4.53 105.19 103.18 2bjj n GLY 510 Ca 0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2bjj n GLY 510 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bjj n ASP 511 N -0.09 0.07 -0.09 1.61 5.68 0.20 -2.34 116.55 121.60 2bjj n ASP 511 Ca 0.00 -1.10 0.23 0.00 -0.50 0.00 0.00 54.79 53.43 2bjj n ASP 511 Cb 0.00 -0.12 0.68 0.00 -1.14 0.00 0.00 41.12 40.55 2bjj n ASP 511 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bjj h GLU 512 N 0.00 0.04 -0.58 0.11 4.57 -1.88 -0.37 114.58 116.46 2bjj h GLU 512 Ca -0.05 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2bjj h GLU 512 Cb 0.16 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2bjj h GLU 512 CO 0.04 0.03 0.00 1.04 -1.18 0.00 0.00 179.01 178.94 2bjj n GLN 513 N -4.35 2.82 -1.00 1.92 3.00 -1.26 -4.97 117.38 113.54 2bjj n GLN 513 Ca 0.14 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.69 2bjj n GLN 513 Cb 0.74 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.52 2bjj n GLN 513 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bjj n GLY 514 N 1.19 0.59 3.93 1.08 0.00 -0.15 -5.05 105.19 106.77 2bjj n GLY 514 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2bjj n GLY 514 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bjj s GLU 515 N -0.00 2.11 -1.26 1.61 0.41 -1.26 -4.63 118.70 115.68 2bjj s GLU 515 Ca 0.00 -0.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.29 2bjj s GLU 515 Cb 0.00 -2.13 0.01 0.00 -1.78 0.00 0.00 34.13 30.22 2bjj s GLU 515 CO 0.00 -1.33 1.08 0.09 -0.49 0.00 0.00 175.26 174.62 2bjj n ASN 516 N -3.00 -4.58 -4.68 -0.19 3.02 -1.26 0.62 115.26 105.18 2bjj n ASN 516 Ca 0.08 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.65 2bjj n ASN 516 Cb 0.61 -4.96 -0.03 0.00 -0.61 0.00 0.00 39.78 34.79 2bjj n ASN 516 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2bjj s LYS 517 N -5.90 4.30 -0.07 3.52 2.20 -1.26 -3.23 119.74 119.30 2bjj s LYS 517 Ca 0.34 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 2bjj s LYS 517 Cb -0.15 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2bjj s LYS 517 CO 0.71 -0.54 0.00 0.00 -0.36 0.00 0.00 175.35 175.16 2bjj s VAL 519 N -1.94 3.73 -0.77 0.00 1.01 -1.20 -0.62 120.40 120.61 2bjj s VAL 519 Ca 0.00 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 2bjj s VAL 519 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2bjj s VAL 519 CO 0.00 0.20 2.83 -0.81 0.00 0.00 0.00 175.10 177.32 2bjj n PRO 520 N 2.83 3.15 -4.18 2.72 -0.04 -1.26 -4.47 135.00 133.75 2bjj n PRO 520 Ca 0.05 -2.44 -0.16 0.00 -0.04 0.00 0.00 63.50 60.91 2bjj n PRO 520 Cb 0.45 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 2bjj n PRO 520 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bjj s ASN 521 N 0.85 1.10 0.00 3.54 2.20 -1.26 -4.57 114.94 116.79 2bjj s ASN 521 Ca 0.60 -1.57 0.08 0.00 -0.94 0.00 0.00 52.86 51.04 2bjj s ASN 521 Cb 0.29 0.58 0.46 0.00 -2.00 0.00 0.00 41.25 40.58 2bjj s ASN 521 CO -0.13 -1.13 1.06 -1.54 -2.94 0.00 0.00 177.10 172.42 2bjj n SER 522 N -1.27 0.00 -0.12 3.54 3.41 -1.26 -2.75 113.62 115.16 2bjj n SER 522 Ca 0.04 -0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 2bjj n SER 522 Cb 0.62 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2bjj n SER 522 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2bjj h ASN 523 N 0.00 0.64 -2.21 4.04 2.35 -1.94 -3.40 115.58 115.06 2bjj h ASN 523 Ca 0.00 -0.32 -0.55 0.00 -0.55 0.00 0.00 56.30 54.88 2bjj h ASN 523 Cb 0.04 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.25 2bjj h ASN 523 CO 0.00 0.81 1.34 1.21 -1.65 0.00 0.00 177.43 179.14 2bjj n GLU 524 N -4.47 2.52 0.28 0.81 4.07 -1.11 -3.44 120.64 119.30 2bjj n GLU 524 Ca -0.02 0.85 0.14 0.00 -0.06 0.00 0.00 57.16 58.07 2bjj n GLU 524 Cb 0.29 -3.10 0.81 0.00 -0.06 0.00 0.00 31.44 29.38 2bjj n GLU 524 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bjj h ARG 525 N 12.35 0.00 -0.61 5.31 3.08 -1.68 -1.93 114.38 130.90 2bjj h ARG 525 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2bjj h ARG 525 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2bjj h ARG 525 CO 0.95 0.07 0.00 0.66 -1.07 0.00 0.00 179.97 180.57 2bjj n TYR 526 N -3.76 0.95 -2.96 3.04 4.01 -1.26 -4.19 117.16 112.99 2bjj n TYR 526 Ca -0.02 -0.37 -0.36 0.00 -0.16 0.00 0.00 57.90 56.98 2bjj n TYR 526 Cb 0.17 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 2bjj n TYR 526 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2bjj s TYR 527 N -1.75 3.63 0.01 -0.72 5.04 -0.73 -2.95 117.35 119.89 2bjj s TYR 527 Ca 0.32 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.50 2bjj s TYR 527 Cb 0.21 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.77 2bjj s TYR 527 CO 0.15 0.25 0.00 0.41 -1.34 0.00 0.00 175.55 175.02 2bjj n GLY 528 N 0.53 -2.07 0.08 8.97 0.00 0.05 -2.16 105.19 110.58 2bjj n GLY 528 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 2bjj n GLY 528 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2bjj h TYR 529 N -0.03 0.16 -0.33 1.61 0.05 -1.93 -0.44 116.97 116.06 2bjj h TYR 529 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2bjj h TYR 529 Cb 0.03 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2bjj h TYR 529 CO 0.00 0.11 0.03 1.15 -1.05 0.00 0.00 178.16 178.41 2bjj h THR 530 N 0.15 1.24 -0.32 -2.88 2.02 -1.85 -2.39 112.91 108.88 2bjj h THR 530 Ca 0.04 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 2bjj h THR 530 Cb -0.00 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2bjj h THR 530 CO -0.01 0.29 -0.13 1.23 0.37 0.00 0.00 175.52 177.27 2bjj h GLY 531 N 0.37 0.60 1.68 2.16 0.00 -1.34 0.64 103.07 107.19 2bjj h GLY 531 Ca 0.10 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 2bjj h GLY 531 CO 0.01 0.39 -0.59 0.00 0.00 0.00 0.00 176.54 176.36 2bjj h ALA 532 N 1.36 0.80 -0.25 3.60 0.00 -0.96 0.26 119.26 124.07 2bjj h ALA 532 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2bjj h ALA 532 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2bjj h ALA 532 CO 0.03 0.71 0.00 0.35 0.00 0.00 0.00 179.25 180.35 2bjj h PHE 533 N 0.25 0.48 -0.60 0.00 3.57 -1.18 -3.05 116.94 116.42 2bjj h PHE 533 Ca -0.00 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.50 2bjj h PHE 533 Cb 1.10 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 2bjj h PHE 533 CO 0.03 0.60 0.24 -0.09 -2.23 0.00 0.00 178.31 176.86 2bjj h ARG 534 N 0.22 0.42 -0.50 1.11 2.43 -0.72 -0.44 114.38 116.90 2bjj h ARG 534 Ca 0.07 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 2bjj h ARG 534 Cb 0.41 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2bjj h ARG 534 CO 0.01 0.28 0.37 0.00 -1.51 0.00 0.00 179.97 179.12 2bjj h LEU 536 N 0.00 0.41 -1.56 0.00 5.85 -1.10 -1.51 115.31 117.40 2bjj h LEU 536 Ca 0.24 -0.89 -0.05 0.00 0.84 0.00 0.00 57.88 58.02 2bjj h LEU 536 Cb 0.97 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2bjj h LEU 536 CO -0.00 1.52 -0.22 0.00 -0.34 0.00 0.00 178.44 179.39 2bjj h ALA 537 N -0.00 1.28 -0.49 1.25 0.00 0.07 -1.03 119.26 120.34 2bjj h ALA 537 Ca -0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bjj h ALA 537 Cb 1.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2bjj h ALA 537 CO 0.09 0.27 0.00 0.39 0.00 0.00 0.00 179.25 180.01 2bjj n GLU 538 N -3.76 3.52 -1.30 0.00 1.02 -0.24 -4.96 120.64 114.92 2bjj n GLU 538 Ca -0.02 -2.35 -0.10 0.00 -0.02 0.00 0.00 57.16 54.68 2bjj n GLU 538 Cb 0.32 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 2bjj n GLU 538 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2bjj n ASN 539 N 0.71 -5.38 0.01 1.62 3.02 -0.39 -4.86 115.26 110.00 2bjj n ASN 539 Ca 0.21 0.26 -0.12 0.00 -0.03 0.00 0.00 54.58 54.89 2bjj n ASN 539 Cb 0.83 -3.79 -0.08 0.00 -0.61 0.00 0.00 39.78 36.14 2bjj n ASN 539 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bjj h ALA 540 N 0.00 0.02 -1.64 5.41 0.00 -1.53 -3.46 119.26 118.06 2bjj h ALA 540 Ca -0.21 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 2bjj h ALA 540 Cb 1.05 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 2bjj h ALA 540 CO 0.31 -0.37 -0.55 0.20 0.00 0.00 0.00 179.25 178.84 2bjj s GLY 541 N -2.64 2.41 -0.03 0.00 0.00 -0.70 -4.89 107.32 101.48 2bjj s GLY 541 Ca -0.14 -2.21 0.20 0.00 0.00 0.00 0.00 44.72 42.57 2bjj s GLY 541 CO 0.67 -2.01 0.45 1.22 0.00 0.00 0.00 173.10 173.43 2bjj n ASP 542 N -1.09 0.56 -3.85 1.64 8.00 0.36 -4.65 116.55 117.52 2bjj n ASP 542 Ca -0.03 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 2bjj n ASP 542 Cb 0.66 1.85 -0.14 0.00 -0.02 0.00 0.00 41.12 43.47 2bjj n ASP 542 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bjj s VAL 543 N -3.33 -0.00 -0.06 2.53 0.11 -0.95 -4.48 120.40 114.22 2bjj s VAL 543 Ca -0.06 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 2bjj s VAL 543 Cb 0.13 -0.09 -0.01 0.00 -1.53 0.00 0.00 36.38 34.88 2bjj s VAL 543 CO 0.81 0.00 -0.25 0.00 -3.33 0.00 0.00 175.10 172.34 2bjj s ALA 544 N 0.09 2.18 -0.44 1.54 0.00 -0.48 -0.36 121.76 124.29 2bjj s ALA 544 Ca -0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 2bjj s ALA 544 Cb -0.01 -0.68 0.08 0.00 0.00 0.00 0.00 23.12 22.51 2bjj s ALA 544 CO -0.00 0.42 0.31 -0.06 0.00 0.00 0.00 175.76 176.43 2bjj s PHE 545 N -0.20 3.31 0.00 0.00 0.08 -0.47 -0.88 117.98 119.83 2bjj s PHE 545 Ca -0.03 -1.37 0.00 0.00 0.12 0.00 0.00 56.93 55.66 2bjj s PHE 545 Cb -0.13 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 2bjj s PHE 545 CO 0.03 -0.85 0.00 1.33 -0.10 0.00 0.00 175.22 175.64 2bjj n VAL 546 N 5.01 0.00 -3.99 -0.44 0.24 -0.96 -3.68 118.33 114.51 2bjj n VAL 546 Ca -0.11 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.96 2bjj n VAL 546 Cb 0.43 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 2bjj n VAL 546 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2bjj s LYS 547 N -0.01 2.37 0.23 7.34 -2.85 -1.26 -0.51 119.74 125.05 2bjj s LYS 547 Ca 0.00 -1.64 -0.05 0.00 -1.00 0.00 0.00 55.97 53.28 2bjj s LYS 547 Cb 0.00 -2.16 0.24 0.00 -2.06 0.00 0.00 37.83 33.85 2bjj s LYS 547 CO 0.00 -0.03 1.74 0.38 0.10 0.00 0.00 175.35 177.54 2bjj h ASP 548 N 1.39 0.91 0.54 0.03 2.03 -1.89 -2.85 116.42 116.58 2bjj h ASP 548 Ca -0.43 -0.20 -0.02 0.00 -0.73 0.00 0.00 57.03 55.65 2bjj h ASP 548 Cb 1.26 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 39.51 2bjj h ASP 548 CO 0.64 0.92 -0.10 -0.37 -1.03 0.00 0.00 179.24 179.30 2bjj h VAL 549 N 0.90 0.38 -0.66 4.15 -1.51 -1.96 -2.78 116.25 114.76 2bjj h VAL 549 Ca 0.18 -0.56 0.10 0.00 -1.23 0.00 0.00 66.70 65.19 2bjj h VAL 549 Cb 0.41 1.40 -0.07 0.00 -2.13 0.00 0.00 31.29 30.90 2bjj h VAL 549 CO 0.01 0.10 0.29 0.74 -1.23 0.00 0.00 177.57 177.48 2bjj h THR 550 N 0.00 0.80 -0.11 7.19 2.02 -1.91 0.58 112.91 121.49 2bjj h THR 550 Ca -0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2bjj h THR 550 Cb 0.40 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2bjj h THR 550 CO 0.01 0.09 -0.03 0.58 0.37 0.00 0.00 175.52 176.54 2bjj h VAL 551 N 0.50 1.30 -0.49 3.16 2.07 -1.65 -2.59 116.25 118.55 2bjj h VAL 551 Ca 0.33 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.97 2bjj h VAL 551 Cb 0.38 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 2bjj h VAL 551 CO -0.29 0.28 -0.13 -0.07 0.02 0.00 0.00 177.57 177.38 2bjj h LEU 552 N -0.11 -0.48 -1.28 2.57 4.07 -1.51 -2.05 115.31 116.53 2bjj h LEU 552 Ca 0.03 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2bjj h LEU 552 Cb 0.45 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2bjj h LEU 552 CO 0.01 -0.17 0.00 1.56 -1.08 0.00 0.00 178.44 178.76 2bjj h GLN 553 N -0.01 0.00 -0.06 1.13 4.20 -0.80 -3.25 115.11 116.32 2bjj h GLN 553 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2bjj h GLN 553 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2bjj h GLN 553 CO -0.51 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 177.74 2bjj n ASN 554 N -2.68 2.62 -4.32 1.46 3.02 -0.79 -3.55 115.26 111.02 2bjj n ASN 554 Ca 0.01 -2.87 -0.16 0.00 -0.03 0.00 0.00 54.58 51.52 2bjj n ASN 554 Cb 0.24 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 2bjj n ASN 554 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bjj s THR 555 N -2.52 0.70 -1.36 3.41 -4.23 -1.05 -4.71 115.64 105.88 2bjj s THR 555 Ca 0.29 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 2bjj s THR 555 Cb 0.24 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.60 2bjj s THR 555 CO 0.04 -0.14 1.02 0.47 -0.54 0.00 0.00 174.62 175.48 2bjj n ASP 556 N -0.43 -4.23 -0.15 3.99 8.00 0.14 -1.64 116.55 122.23 2bjj n ASP 556 Ca -0.02 -0.66 -0.02 0.00 0.71 0.00 0.00 54.79 54.80 2bjj n ASP 556 Cb 0.65 -4.63 -0.01 0.00 -0.02 0.00 0.00 41.12 37.12 2bjj n ASP 556 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bjj n GLY 557 N -1.68 0.37 0.24 0.44 0.00 -1.26 -4.86 105.19 98.45 2bjj n GLY 557 Ca -0.10 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2bjj n GLY 557 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bjj h ASN 558 N 0.00 0.00 -3.37 1.61 2.35 -1.57 -3.39 115.58 111.21 2bjj h ASN 558 Ca -0.04 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.17 2bjj h ASN 558 Cb 0.64 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.62 2bjj h ASN 558 CO 0.06 0.06 -0.78 0.21 -1.65 0.00 0.00 177.43 175.33 2bjj s ASN 559 N -6.02 3.00 -0.65 5.81 3.84 -1.23 -4.83 114.94 114.86 2bjj s ASN 559 Ca 0.04 -0.81 -0.03 0.00 0.21 0.00 0.00 52.86 52.28 2bjj s ASN 559 Cb 0.07 -0.80 0.25 0.00 -0.55 0.00 0.00 41.25 40.23 2bjj s ASN 559 CO 0.62 -0.25 2.29 0.59 -2.79 0.00 0.00 177.10 177.56 2bjj n ASN 560 N 4.93 7.11 -4.90 -4.21 4.13 -1.26 -3.45 115.26 117.60 2bjj n ASN 560 Ca -0.10 -3.55 -0.29 0.00 1.68 0.00 0.00 54.58 52.31 2bjj n ASN 560 Cb 0.47 -1.12 -0.04 0.00 -1.54 0.00 0.00 39.78 37.56 2bjj n ASN 560 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2bjj s ASP 561 N -0.57 6.47 0.20 6.41 1.11 -1.26 -4.85 116.67 124.18 2bjj s ASP 561 Ca 0.54 0.69 -0.16 0.00 0.18 0.00 0.00 52.55 53.80 2bjj s ASP 561 Cb 0.41 -2.13 0.20 0.00 1.07 0.00 0.00 42.92 42.47 2bjj s ASP 561 CO -0.27 -0.12 1.61 0.00 1.18 0.00 0.00 175.17 177.56 2bjj h ALA 562 N 2.02 0.23 0.00 5.23 0.00 -2.01 0.93 119.26 125.65 2bjj h ALA 562 Ca -0.47 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2bjj h ALA 562 Cb 1.18 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2bjj h ALA 562 CO 0.68 -0.53 -0.09 0.11 0.00 0.00 0.00 179.25 179.42 2bjj h TRP 563 N -0.08 0.00 0.00 0.00 5.08 -1.96 -3.31 115.95 115.68 2bjj h TRP 563 Ca 0.28 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.17 2bjj h TRP 563 Cb 0.52 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.66 2bjj h TRP 563 CO -0.58 0.09 -1.53 0.00 -1.28 0.00 0.00 178.44 175.15 2bjj n ALA 564 N -2.21 2.08 -0.32 0.11 0.00 0.02 -4.79 120.51 115.40 2bjj n ALA 564 Ca -0.01 -0.40 0.21 0.00 0.00 0.00 0.00 53.44 53.23 2bjj n ALA 564 Cb 0.24 -0.14 0.42 0.00 0.00 0.00 0.00 19.45 19.97 2bjj n ALA 564 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2bjj h LYS 565 N 0.00 0.27 -0.62 0.00 2.10 -0.95 -1.83 116.57 115.54 2bjj h LYS 565 Ca -0.12 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2bjj h LYS 565 Cb 0.98 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2bjj h LYS 565 CO 0.01 0.18 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 2bjj n ASP 566 N -5.11 3.88 -4.77 7.07 8.00 -1.26 -4.00 116.55 120.35 2bjj n ASP 566 Ca 0.29 -2.11 -0.38 0.00 0.71 0.00 0.00 54.79 53.31 2bjj n ASP 566 Cb 0.91 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 2bjj n ASP 566 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bjj s LEU 567 N -1.20 4.36 -0.05 0.64 1.43 -0.69 -4.94 118.68 118.23 2bjj s LEU 567 Ca 0.44 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.55 2bjj s LEU 567 Cb 0.24 -3.95 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2bjj s LEU 567 CO 0.27 -0.15 -0.23 -0.54 0.23 0.00 0.00 176.35 175.94 2bjj s LYS 568 N -1.96 2.36 0.47 1.70 -0.14 -1.26 0.25 119.74 121.16 2bjj s LYS 568 Ca 0.50 -0.83 0.33 0.00 -1.36 0.00 0.00 55.97 54.61 2bjj s LYS 568 Cb -0.22 -2.01 1.45 0.00 -1.68 0.00 0.00 37.83 35.37 2bjj s LYS 568 CO 0.28 0.34 1.66 1.25 -0.76 0.00 0.00 175.35 178.12 2bjj h LEU 569 N 6.12 0.20 -0.45 3.17 5.85 -1.91 -0.66 115.31 127.62 2bjj h LEU 569 Ca -0.32 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2bjj h LEU 569 Cb 1.18 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2bjj h LEU 569 CO 0.47 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 2bjj h ALA 570 N 1.48 1.00 0.00 1.25 0.00 -2.01 -2.69 119.26 118.28 2bjj h ALA 570 Ca 0.78 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.69 2bjj h ALA 570 Cb 2.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.39 2bjj h ALA 570 CO -0.29 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.71 2bjj n ASP 571 N -2.72 0.00 -4.21 0.00 8.00 -0.26 -4.80 116.55 112.57 2bjj n ASP 571 Ca 0.03 -1.00 -0.22 0.00 0.71 0.00 0.00 54.79 54.31 2bjj n ASP 571 Cb 0.40 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 2bjj n ASP 571 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2bjj s PHE 572 N -2.00 1.52 0.15 1.24 0.08 -1.02 -0.94 117.98 117.02 2bjj s PHE 572 Ca 0.34 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 57.02 2bjj s PHE 572 Cb 0.15 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2bjj s PHE 572 CO 0.26 0.10 -0.05 0.00 -0.10 0.00 0.00 175.22 175.43 2bjj s ALA 573 N -0.99 1.36 0.01 5.36 0.00 0.21 -4.37 121.76 123.34 2bjj s ALA 573 Ca 0.04 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2bjj s ALA 573 Cb -0.09 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2bjj s ALA 573 CO 0.02 -0.22 0.03 -0.51 0.00 0.00 0.00 175.76 175.09 2bjj s LEU 574 N -3.16 3.64 -0.21 0.00 1.43 0.08 -0.46 118.68 120.00 2bjj s LEU 574 Ca 0.19 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 2bjj s LEU 574 Cb 0.05 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2bjj s LEU 574 CO 0.01 0.26 0.42 -0.76 0.23 0.00 0.00 176.35 176.52 2bjj s LEU 575 N -1.74 4.13 0.23 1.79 1.02 -0.30 -2.41 118.68 121.41 2bjj s LEU 575 Ca 0.22 0.52 -0.04 0.00 0.02 0.00 0.00 54.13 54.84 2bjj s LEU 575 Cb -0.12 -2.55 -0.05 0.00 0.02 0.00 0.00 46.19 43.49 2bjj s LEU 575 CO 0.13 -0.12 0.48 0.00 0.02 0.00 0.00 176.35 176.86 2bjj h LEU 577 N 2.08 0.00 -1.34 0.00 3.38 -1.86 -1.63 115.31 115.93 2bjj h LEU 577 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2bjj h LEU 577 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2bjj h LEU 577 CO 0.68 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 2bjj n ASP 578 N -2.85 1.95 0.00 -0.43 5.68 -1.26 -4.90 116.55 114.74 2bjj n ASP 578 Ca -0.00 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 2bjj n ASP 578 Cb 0.20 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 2bjj n ASP 578 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bjj n GLY 579 N 0.83 1.87 3.87 6.12 0.00 -0.61 -5.02 105.19 112.24 2bjj n GLY 579 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2bjj n GLY 579 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjj s LYS 580 N -0.15 2.46 0.01 1.61 3.01 -1.26 -4.68 119.74 120.75 2bjj s LYS 580 Ca 0.00 0.41 0.06 0.00 -1.01 0.00 0.00 55.97 55.43 2bjj s LYS 580 Cb 0.00 -1.98 -0.02 0.00 -1.01 0.00 0.00 37.83 34.82 2bjj s LYS 580 CO 0.00 -1.30 -0.18 1.03 0.51 0.00 0.00 175.35 175.40 2bjj s ARG 581 N -5.37 1.36 0.15 1.68 0.52 -1.26 -1.15 118.95 114.87 2bjj s ARG 581 Ca 0.60 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2bjj s ARG 581 Cb -0.12 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 2bjj s ARG 581 CO 0.52 0.36 -0.02 0.15 0.02 0.00 0.00 175.30 176.33 2bjj s LYS 582 N -0.74 1.01 0.73 3.54 1.02 -1.01 -4.96 119.74 119.34 2bjj s LYS 582 Ca 0.06 -1.47 -0.15 0.00 0.02 0.00 0.00 55.97 54.44 2bjj s LYS 582 Cb -0.08 -0.23 0.04 0.00 -0.52 0.00 0.00 37.83 37.05 2bjj s LYS 582 CO 0.00 -0.10 1.19 -2.14 -0.92 0.00 0.00 175.35 173.39 2bjj s PRO 583 N -3.89 2.16 0.30 -1.68 0.02 -1.26 -0.74 135.00 129.91 2bjj s PRO 583 Ca 0.20 1.71 0.03 0.00 0.02 0.00 0.00 61.00 62.96 2bjj s PRO 583 Cb 0.06 -1.84 0.61 0.00 0.02 0.00 0.00 34.50 33.34 2bjj s PRO 583 CO 0.01 -1.81 1.87 0.28 -0.33 0.00 0.00 177.00 177.02 2bjj h VAL 584 N -0.34 0.95 0.00 3.83 2.07 -1.87 -0.45 116.25 120.43 2bjj h VAL 584 Ca -0.47 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2bjj h VAL 584 Cb 1.29 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2bjj h VAL 584 CO 0.50 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.61 2bjj n THR 585 N -4.56 1.65 -1.27 2.57 -2.24 -1.26 -2.08 114.28 107.09 2bjj n THR 585 Ca 0.17 0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 62.30 2bjj n THR 585 Cb 0.33 -1.38 0.22 0.00 -2.10 0.00 0.00 70.33 67.40 2bjj n THR 585 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bjj n GLU 586 N -1.57 2.41 0.11 -0.78 1.02 -0.18 -4.67 120.64 116.98 2bjj n GLU 586 Ca 0.01 -3.08 0.15 0.00 -0.02 0.00 0.00 57.16 54.22 2bjj n GLU 586 Cb 0.05 -2.00 0.68 0.00 -0.02 0.00 0.00 31.44 30.15 2bjj n GLU 586 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bjj h ALA 587 N 1.38 2.28 -0.18 0.62 0.00 -1.56 -1.82 119.26 119.98 2bjj h ALA 587 Ca 0.33 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2bjj h ALA 587 Cb 2.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2bjj h ALA 587 CO 0.65 -0.39 0.12 -0.09 0.00 0.00 0.00 179.25 179.54 2bjj h ARG 588 N 0.00 0.17 -0.35 0.00 9.65 -1.87 -1.02 114.38 120.96 2bjj h ARG 588 Ca 0.15 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2bjj h ARG 588 Cb 0.60 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2bjj h ARG 588 CO -0.00 0.11 0.00 -1.13 2.80 0.00 0.00 179.97 181.75 2bjj n SER 589 N -4.51 2.94 -3.09 -3.80 3.41 -0.72 -4.78 113.62 103.07 2bjj n SER 589 Ca 0.00 -1.92 -0.20 0.00 -0.26 0.00 0.00 58.87 56.49 2bjj n SER 589 Cb 0.13 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2bjj n SER 589 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bjj s HIS 591 N -0.84 0.91 0.06 0.00 -0.00 -1.15 -4.64 115.29 109.63 2bjj s HIS 591 Ca 0.34 -0.81 -0.07 0.00 -0.00 0.00 0.00 55.06 54.53 2bjj s HIS 591 Cb 0.20 -0.52 -0.30 0.00 -0.00 0.00 0.00 32.58 31.96 2bjj s HIS 591 CO -0.14 -0.11 1.09 -0.07 -0.00 0.00 0.00 174.74 175.52 2bjj h LEU 592 N 3.25 0.51 -7.12 5.38 3.38 -0.78 -3.43 115.31 116.49 2bjj h LEU 592 Ca -0.36 -0.56 0.32 0.00 0.09 0.00 0.00 57.88 57.38 2bjj h LEU 592 Cb 1.18 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 2bjj h LEU 592 CO 0.60 1.44 0.87 0.00 0.09 0.00 0.00 178.44 181.44 2bjj s ALA 593 N -2.64 -2.25 -0.13 1.53 0.00 -1.23 -5.03 121.76 112.01 2bjj s ALA 593 Ca -0.05 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2bjj s ALA 593 Cb 0.06 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 2bjj s ALA 593 CO 0.90 -0.91 0.37 -1.64 0.00 0.00 0.00 175.76 174.47 2bjj s MET 594 N -2.31 4.23 -0.11 0.00 -1.94 -1.26 -0.99 119.30 116.92 2bjj s MET 594 Ca 0.13 0.25 -0.05 0.00 -1.71 0.00 0.00 55.69 54.32 2bjj s MET 594 Cb 0.04 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.44 2bjj s MET 594 CO -0.04 0.27 0.06 0.00 -0.01 0.00 0.00 175.02 175.30 2bjj s ALA 595 N 0.33 3.54 0.32 3.03 0.00 0.14 -4.93 121.76 124.17 2bjj s ALA 595 Ca 0.21 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 2bjj s ALA 595 Cb -0.14 -1.74 -0.10 0.00 0.00 0.00 0.00 23.12 21.14 2bjj s ALA 595 CO 0.07 0.54 1.28 -1.25 0.00 0.00 0.00 175.76 176.41 2bjj s PRO 596 N -0.76 4.39 0.48 0.00 0.04 -1.26 -0.78 135.00 137.11 2bjj s PRO 596 Ca 0.12 2.16 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 2bjj s PRO 596 Cb -0.12 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.22 2bjj s PRO 596 CO 0.03 -0.15 0.62 0.09 0.04 0.00 0.00 177.00 177.63 2bjj n ASN 597 N 0.96 -0.58 -4.72 6.66 4.13 -1.26 -4.40 115.26 116.05 2bjj n ASN 597 Ca 0.00 0.86 -0.38 0.00 1.68 0.00 0.00 54.58 56.75 2bjj n ASN 597 Cb 0.42 -1.18 0.06 0.00 -1.54 0.00 0.00 39.78 37.54 2bjj n ASN 597 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2bjj n HIS 598 N -1.12 1.93 -4.09 3.10 8.25 -1.26 -4.56 115.22 117.47 2bjj n HIS 598 Ca 0.11 0.43 -0.14 0.00 -0.26 0.00 0.00 57.72 57.86 2bjj n HIS 598 Cb 0.42 -2.29 -0.13 0.00 1.12 0.00 0.00 29.99 29.12 2bjj n HIS 598 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bjj s ALA 599 N -1.36 0.46 -0.02 -1.41 0.00 -0.48 -1.01 121.76 117.94 2bjj s ALA 599 Ca 0.78 -0.50 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 2bjj s ALA 599 Cb -0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2bjj s ALA 599 CO 0.44 0.02 0.86 0.14 0.00 0.00 0.00 175.76 177.23 2bjj s VAL 600 N -0.81 4.92 0.31 0.00 -7.23 0.98 -0.21 120.40 118.38 2bjj s VAL 600 Ca -0.05 1.79 0.09 0.00 -1.81 0.00 0.00 61.98 62.00 2bjj s VAL 600 Cb -0.06 -4.20 -0.04 0.00 0.56 0.00 0.00 36.38 32.63 2bjj s VAL 600 CO 0.00 0.21 0.06 0.68 -0.31 0.00 0.00 175.10 175.74 2bjj s VAL 601 N 0.85 3.09 0.32 1.32 -7.23 -0.78 0.13 120.40 118.10 2bjj s VAL 601 Ca 0.45 -1.83 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 2bjj s VAL 601 Cb -0.20 -2.89 0.06 0.00 0.56 0.00 0.00 36.38 33.91 2bjj s VAL 601 CO 0.24 -0.26 0.88 -0.55 -0.31 0.00 0.00 175.10 175.10 2bjj s SER 602 N -3.76 0.00 0.49 4.85 0.15 -0.54 -3.63 113.70 111.27 2bjj s SER 602 Ca 0.35 -0.98 -0.20 0.00 0.70 0.00 0.00 55.95 55.82 2bjj s SER 602 Cb -0.03 0.73 -0.08 0.00 -1.71 0.00 0.00 66.02 64.93 2bjj s SER 602 CO 0.21 -1.45 1.05 -0.13 1.20 0.00 0.00 173.24 174.12 2bjj s ARG 603 N -2.26 3.74 0.46 5.44 0.52 -1.26 -0.93 118.95 124.66 2bjj s ARG 603 Ca 0.18 1.38 0.24 0.00 -0.52 0.00 0.00 55.73 57.01 2bjj s ARG 603 Cb -0.04 -2.08 1.26 0.00 0.52 0.00 0.00 34.95 34.61 2bjj s ARG 603 CO 0.09 -0.48 1.82 0.52 0.02 0.00 0.00 175.30 177.27 2bjj h MET 604 N 1.49 0.23 0.00 3.54 2.86 -1.94 -2.27 114.93 118.85 2bjj h MET 604 Ca -0.49 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2bjj h MET 604 Cb 1.22 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2bjj h MET 604 CO 0.59 0.15 0.00 -0.40 1.06 0.00 0.00 176.91 178.31 2bjj n ASP 605 N -4.44 0.00 -0.04 1.22 5.68 -1.26 -3.54 116.55 114.17 2bjj n ASP 605 Ca 0.22 0.28 0.01 0.00 -0.50 0.00 0.00 54.79 54.80 2bjj n ASP 605 Cb 0.92 -0.39 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 2bjj n ASP 605 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2bjj n LYS 606 N -1.39 3.88 0.06 0.11 3.00 -0.85 -4.85 118.16 118.12 2bjj n LYS 606 Ca 0.06 -0.23 -0.12 0.00 -0.00 0.00 0.00 58.31 58.02 2bjj n LYS 606 Cb 0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 35.03 34.36 2bjj n LYS 606 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2bjj h VAL 607 N 0.20 0.26 -0.41 3.15 2.07 -1.60 0.49 116.25 120.40 2bjj h VAL 607 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2bjj h VAL 607 Cb 0.08 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2bjj h VAL 607 CO 0.00 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.22 2bjj h GLU 608 N -0.50 0.75 0.03 1.57 4.39 -1.88 -1.43 114.58 117.51 2bjj h GLU 608 Ca 0.06 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 2bjj h GLU 608 Cb 0.59 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2bjj h GLU 608 CO -0.29 0.86 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.31 2bjj h ARG 609 N 0.58 -0.04 -0.75 2.33 9.65 -1.87 -2.22 114.38 122.05 2bjj h ARG 609 Ca 0.11 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.16 2bjj h ARG 609 Cb 0.54 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.01 2bjj h ARG 609 CO 0.03 0.17 0.13 1.25 2.80 0.00 0.00 179.97 184.35 2bjj h LEU 610 N -0.25 -0.09 -0.33 3.80 5.85 -0.81 -0.66 115.31 122.81 2bjj h LEU 610 Ca -0.00 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2bjj h LEU 610 Cb 0.24 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2bjj h LEU 610 CO 0.01 -0.09 0.18 0.11 -0.34 0.00 0.00 178.44 178.30 2bjj h LYS 611 N 0.21 0.36 -0.19 1.25 1.57 -1.06 -0.22 116.57 118.48 2bjj h LYS 611 Ca 0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2bjj h LYS 611 Cb 0.75 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2bjj h LYS 611 CO -0.57 0.24 0.12 1.96 -0.57 0.00 0.00 179.45 180.63 2bjj h GLN 612 N 0.37 0.26 -0.13 3.15 4.20 -0.74 -1.42 115.11 120.79 2bjj h GLN 612 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2bjj h GLN 612 Cb 0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2bjj h GLN 612 CO -0.08 0.18 0.06 0.28 -0.67 0.00 0.00 178.83 178.60 2bjj h VAL 613 N 0.25 1.14 -0.33 -0.54 2.07 -1.03 -2.08 116.25 115.72 2bjj h VAL 613 Ca 0.07 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2bjj h VAL 613 Cb -0.01 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2bjj h VAL 613 CO -0.01 0.12 -0.11 -0.07 0.02 0.00 0.00 177.57 177.52 2bjj h LEU 614 N 0.07 0.55 -0.19 2.57 3.38 -0.97 0.31 115.31 121.03 2bjj h LEU 614 Ca 0.04 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2bjj h LEU 614 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bjj h LEU 614 CO -0.00 0.70 -0.41 -0.07 0.09 0.00 0.00 178.44 178.74 2bjj h LEU 615 N 0.52 0.68 0.26 1.67 3.38 -1.23 -1.63 115.31 118.97 2bjj h LEU 615 Ca 0.10 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2bjj h LEU 615 Cb 0.51 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2bjj h LEU 615 CO 0.03 1.12 -0.13 -0.74 0.09 0.00 0.00 178.44 178.81 2bjj h HIS 616 N 0.28 -0.33 -0.80 1.13 2.76 -1.21 -2.59 115.15 114.40 2bjj h HIS 616 Ca 0.00 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2bjj h HIS 616 Cb 1.02 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 30.03 2bjj h HIS 616 CO 0.09 -0.12 0.52 1.96 -1.30 0.00 0.00 177.93 179.08 2bjj h GLN 617 N -0.47 0.77 0.00 5.26 1.08 -0.39 -2.31 115.11 119.05 2bjj h GLN 617 Ca -0.04 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 2bjj h GLN 617 Cb 0.35 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2bjj h GLN 617 CO 0.06 0.51 -0.45 -0.56 -0.95 0.00 0.00 178.83 177.43 2bjj h GLN 618 N 0.79 0.00 -0.19 1.46 3.07 -1.28 -0.03 115.11 118.93 2bjj h GLN 618 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.06 2bjj h GLN 618 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 2bjj h GLN 618 CO -0.13 0.45 -0.04 0.00 0.09 0.00 0.00 178.83 179.21 2bjj h ALA 619 N 1.55 1.59 0.11 0.06 0.00 -1.00 0.24 119.26 121.80 2bjj h ALA 619 Ca -0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 2bjj h ALA 619 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2bjj h ALA 619 CO 0.06 0.30 -1.60 0.87 0.00 0.00 0.00 179.25 178.89 2bjj h LYS 620 N 0.28 0.23 -0.05 0.00 1.57 -1.32 -2.74 116.57 114.53 2bjj h LYS 620 Ca 0.06 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2bjj h LYS 620 Cb 0.25 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2bjj h LYS 620 CO 0.01 1.18 0.00 1.19 -0.57 0.00 0.00 179.45 181.26 2bjj n PHE 621 N -3.84 0.09 -0.68 -1.35 3.72 -0.04 -0.35 117.46 115.00 2bjj n PHE 621 Ca -0.28 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.51 2bjj n PHE 621 Cb 0.93 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 2bjj n PHE 621 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bjj n GLY 622 N -0.56 -1.54 0.09 1.37 0.00 0.83 -0.57 105.19 104.81 2bjj n GLY 622 Ca 0.05 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 2bjj n GLY 622 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bjj h ARG 623 N 0.00 -0.01 -0.99 1.61 3.08 -1.81 -1.84 114.38 114.41 2bjj h ARG 623 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2bjj h ARG 623 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 29.76 2bjj h ARG 623 CO 0.00 -0.01 0.80 -1.71 -1.07 0.00 0.00 179.97 177.98 2bjj n ASN 624 N -5.16 7.06 -4.82 7.04 5.15 -1.26 -4.95 115.26 118.31 2bjj n ASN 624 Ca -0.04 -3.76 -0.34 0.00 -0.60 0.00 0.00 54.58 49.83 2bjj n ASN 624 Cb 0.09 -0.94 -0.06 0.00 -0.53 0.00 0.00 39.78 38.34 2bjj n ASN 624 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2bjj s GLY 625 N -1.80 2.51 0.25 8.20 0.00 -0.69 -4.97 107.32 110.82 2bjj s GLY 625 Ca 0.63 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.61 2bjj s GLY 625 CO 0.01 0.61 1.85 1.48 0.00 0.00 0.00 173.10 177.05 2bjj h SER 626 N 2.57 0.87 -0.46 1.64 4.64 -1.14 -2.90 113.55 118.77 2bjj h SER 626 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2bjj h SER 626 Cb 1.18 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2bjj h SER 626 CO 0.64 0.54 0.00 0.47 -0.87 0.00 0.00 176.83 177.61 2bjj n ASP 627 N -4.61 4.60 -4.17 4.97 8.00 0.53 -4.85 116.55 121.02 2bjj n ASP 627 Ca 0.14 -2.76 -0.31 0.00 0.71 0.00 0.00 54.79 52.57 2bjj n ASP 627 Cb 0.21 -0.57 -0.17 0.00 -0.02 0.00 0.00 41.12 40.57 2bjj n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjj n PRO 629 N 3.67 2.14 -0.14 0.00 -0.05 -1.26 -4.50 135.00 134.86 2bjj n PRO 629 Ca -0.20 -1.44 -0.09 0.00 -0.05 0.00 0.00 63.50 61.72 2bjj n PRO 629 Cb 0.52 -1.43 -0.00 0.00 -0.05 0.00 0.00 33.50 32.54 2bjj n PRO 629 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2bjj h ASP 630 N 2.22 0.53 0.00 3.54 3.32 -1.87 -3.39 116.42 120.77 2bjj h ASP 630 Ca 0.00 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 2bjj h ASP 630 Cb 0.68 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2bjj h ASP 630 CO 0.05 0.51 -1.46 0.29 -1.72 0.00 0.00 179.24 176.91 2bjj n LYS 631 N -4.69 0.18 -3.64 3.56 5.02 0.20 -5.10 118.16 113.69 2bjj n LYS 631 Ca 0.00 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.30 2bjj n LYS 631 Cb 0.11 -0.85 -0.07 0.00 -0.02 0.00 0.00 35.03 34.20 2bjj n LYS 631 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2bjj s PHE 632 N -2.15 -0.50 -0.18 2.13 5.36 -0.81 -5.05 117.98 116.77 2bjj s PHE 632 Ca -0.11 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 2bjj s PHE 632 Cb 0.04 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 2bjj s PHE 632 CO 0.15 -0.24 -0.18 0.00 -1.46 0.00 0.00 175.22 173.48 2bjj h LEU 634 N 7.92 0.95 -3.94 0.00 6.46 -1.15 -3.24 115.31 122.32 2bjj h LEU 634 Ca -0.45 -0.10 -0.57 0.00 -0.12 0.00 0.00 57.88 56.64 2bjj h LEU 634 Cb 1.14 -0.24 -0.29 0.00 -0.73 0.00 0.00 40.66 40.54 2bjj h LEU 634 CO 0.63 0.78 0.73 0.49 -0.62 0.00 0.00 178.44 180.45 2bjj n PHE 635 N -4.44 3.03 -4.08 1.25 3.72 -1.26 -4.76 117.46 110.92 2bjj n PHE 635 Ca 0.07 -2.33 -0.16 0.00 -0.05 0.00 0.00 57.45 54.98 2bjj n PHE 635 Cb 0.09 -1.15 -0.15 0.00 -0.94 0.00 0.00 39.48 37.33 2bjj n PHE 635 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2bjj s GLN 636 N -3.41 0.42 0.00 -1.08 2.00 -1.22 -4.31 119.66 112.06 2bjj s GLN 636 Ca 0.58 -0.09 0.00 0.00 -2.00 0.00 0.00 55.36 53.85 2bjj s GLN 636 Cb 0.48 -0.46 0.00 0.00 0.80 0.00 0.00 33.01 33.82 2bjj s GLN 636 CO 0.05 0.01 0.74 -1.13 -0.50 0.00 0.00 175.29 174.46 2bjj n SER 637 N 3.45 -0.71 -3.45 6.67 3.41 -1.26 -4.90 113.62 116.83 2bjj n SER 637 Ca -0.19 -1.48 -0.15 0.00 -0.26 0.00 0.00 58.87 56.79 2bjj n SER 637 Cb 0.55 0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.72 2bjj n SER 637 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bjj n GLU 638 N 0.00 -1.40 -0.92 4.33 1.02 -1.26 -2.41 120.64 120.00 2bjj n GLU 638 Ca -0.20 1.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2bjj n GLU 638 Cb 0.58 -4.17 -0.00 0.00 -0.02 0.00 0.00 31.44 27.83 2bjj n GLU 638 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bjj n THR 639 N -2.52 0.00 1.09 2.62 -2.24 -1.26 -4.79 114.28 107.19 2bjj n THR 639 Ca -0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 2bjj n THR 639 Cb 0.59 -0.92 0.28 0.00 -2.10 0.00 0.00 70.33 68.18 2bjj n THR 639 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bjj n LYS 640 N 0.82 0.32 -3.80 -0.78 5.02 -1.01 -4.74 118.16 114.00 2bjj n LYS 640 Ca -0.00 -0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 55.85 2bjj n LYS 640 Cb 0.45 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 2bjj n LYS 640 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bjj n ASN 641 N -1.17 -1.40 -4.66 4.39 3.02 -1.26 -4.92 115.26 109.25 2bjj n ASN 641 Ca 0.08 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 2bjj n ASN 641 Cb 0.34 -3.57 -0.05 0.00 -0.61 0.00 0.00 39.78 35.89 2bjj n ASN 641 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bjj s LEU 642 N -6.75 4.14 0.00 3.41 1.02 -1.26 -4.26 118.68 114.98 2bjj s LEU 642 Ca 0.07 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.20 2bjj s LEU 642 Cb -0.02 -3.06 0.00 0.00 0.02 0.00 0.00 46.19 43.13 2bjj s LEU 642 CO 0.85 -0.36 0.00 0.18 0.02 0.00 0.00 176.35 177.04 2bjj n LEU 643 N 5.31 0.00 -4.24 1.79 4.77 -1.26 -4.79 117.00 118.59 2bjj n LEU 643 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2bjj n LEU 643 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2bjj n LEU 643 CO 0.46 0.00 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.79 2bjj s PHE 644 N 0.00 1.19 0.36 -1.77 0.08 -1.26 -4.27 117.98 112.32 2bjj s PHE 644 Ca 0.00 -0.91 -0.28 0.00 0.12 0.00 0.00 56.93 55.87 2bjj s PHE 644 Cb 0.00 -0.66 -0.10 0.00 -0.57 0.00 0.00 43.02 41.69 2bjj s PHE 644 CO 0.00 -0.09 1.31 -0.80 -0.10 0.00 0.00 175.22 175.54 2bjj s ASN 645 N -3.16 6.57 0.54 1.36 0.01 -1.26 -4.51 114.94 114.49 2bjj s ASN 645 Ca 0.20 2.69 0.32 0.00 -0.71 0.00 0.00 52.86 55.35 2bjj s ASN 645 Cb 0.05 -2.65 1.41 0.00 0.41 0.00 0.00 41.25 40.47 2bjj s ASN 645 CO 0.01 -0.68 2.01 0.44 -1.51 0.00 0.00 177.10 177.38 2bjj h ASP 646 N 3.07 0.00 -0.35 -1.22 3.32 -1.90 -1.77 116.42 117.56 2bjj h ASP 646 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2bjj h ASP 646 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2bjj h ASP 646 CO 0.64 0.06 0.00 -0.46 -1.72 0.00 0.00 179.24 177.77 2bjj n ASN 647 N -3.23 2.23 -4.69 6.45 6.94 -1.26 -4.69 115.26 117.01 2bjj n ASN 647 Ca -0.00 -2.09 -0.42 0.00 -0.02 0.00 0.00 54.58 52.05 2bjj n ASN 647 Cb 0.30 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 2bjj n ASN 647 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2bjj s THR 648 N -1.58 3.20 -0.06 5.53 2.01 -0.67 -4.36 115.64 119.72 2bjj s THR 648 Ca 0.25 0.61 -0.14 0.00 0.31 0.00 0.00 61.69 62.72 2bjj s THR 648 Cb 0.14 -3.39 -0.30 0.00 0.01 0.00 0.00 72.50 68.96 2bjj s THR 648 CO 0.15 -0.01 0.67 -0.08 -0.69 0.00 0.00 174.62 174.67 2bjj h GLU 649 N 8.35 0.35 -2.49 4.92 4.81 -0.88 -3.45 114.58 126.18 2bjj h GLU 649 Ca -0.42 -0.59 0.12 0.00 -0.13 0.00 0.00 59.36 58.34 2bjj h GLU 649 Cb 1.20 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 30.69 2bjj h GLU 649 CO 0.93 1.28 0.42 0.00 -0.73 0.00 0.00 179.01 180.91 2bjj s LEU 651 N -2.77 4.13 0.32 0.00 1.43 -1.26 -0.95 118.68 119.58 2bjj s LEU 651 Ca 0.08 0.99 0.09 0.00 -1.03 0.00 0.00 54.13 54.26 2bjj s LEU 651 Cb -0.02 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 2bjj s LEU 651 CO -0.03 -0.39 0.03 0.00 0.23 0.00 0.00 176.35 176.19 2bjj s ALA 652 N 2.29 3.24 0.50 4.21 0.00 0.45 -4.66 121.76 127.80 2bjj s ALA 652 Ca 0.33 -1.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.36 2bjj s ALA 652 Cb -0.16 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2bjj s ALA 652 CO 0.10 0.13 0.87 1.03 0.00 0.00 0.00 175.76 177.89 2bjj s ARG 653 N -3.72 3.68 0.03 0.00 0.52 -0.63 -1.02 118.95 117.81 2bjj s ARG 653 Ca 0.34 0.52 0.22 0.00 -0.52 0.00 0.00 55.73 56.30 2bjj s ARG 653 Cb -0.03 -2.27 -0.06 0.00 0.52 0.00 0.00 34.95 33.11 2bjj s ARG 653 CO 0.20 -0.27 0.92 1.28 0.02 0.00 0.00 175.30 177.45 2bjj n LEU 654 N -2.04 0.59 -3.60 2.53 4.77 -1.26 -4.83 117.00 113.16 2bjj n LEU 654 Ca 0.03 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 2bjj n LEU 654 Cb 0.54 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2bjj n LEU 654 CO 0.52 0.07 0.01 1.41 -1.33 0.00 0.00 177.39 178.07 2bjj n HIS 655 N -1.93 -2.04 0.00 -1.77 8.25 -1.26 -2.78 115.22 113.70 2bjj n HIS 655 Ca 0.01 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 2bjj n HIS 655 Cb 0.44 -4.66 0.00 0.00 1.12 0.00 0.00 29.99 26.89 2bjj n HIS 655 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bjj n GLY 656 N -1.42 2.04 2.77 -1.41 0.00 -1.26 -4.96 105.19 100.95 2bjj n GLY 656 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2bjj n GLY 656 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bjj n LYS 657 N -2.00 3.09 -0.20 1.61 5.02 -1.12 -4.68 118.16 119.88 2bjj n LYS 657 Ca 0.00 -2.89 0.09 0.00 -2.02 0.00 0.00 58.31 53.50 2bjj n LYS 657 Cb 0.00 -3.18 0.20 0.00 -0.02 0.00 0.00 35.03 32.03 2bjj n LYS 657 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2bjj n THR 658 N 4.55 0.69 -4.39 -0.18 -2.24 -1.26 -4.36 114.28 107.08 2bjj n THR 658 Ca 0.48 -0.84 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 2bjj n THR 658 Cb 0.38 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 2bjj n THR 658 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2bjj s THR 659 N -1.17 2.03 0.29 4.28 -4.23 -1.26 -4.38 115.64 111.20 2bjj s THR 659 Ca 0.33 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 2bjj s THR 659 Cb 0.19 -2.11 0.25 0.00 1.34 0.00 0.00 72.50 72.17 2bjj s THR 659 CO 0.25 -0.48 1.96 0.10 -0.54 0.00 0.00 174.62 175.91 2bjj h TYR 660 N 2.56 1.04 -0.71 3.99 -0.00 -1.89 0.01 116.97 121.97 2bjj h TYR 660 Ca -0.39 0.02 -0.06 0.00 -0.00 0.00 0.00 58.73 58.29 2bjj h TYR 660 Cb 1.23 -0.35 -0.03 0.00 -0.00 0.00 0.00 36.73 37.58 2bjj h TYR 660 CO 0.75 0.67 0.22 0.93 -0.00 0.00 0.00 178.16 180.72 2bjj h GLU 661 N 1.12 1.11 -0.03 0.10 5.08 -1.95 0.13 114.58 120.13 2bjj h GLU 661 Ca 0.30 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 2bjj h GLU 661 Cb -0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2bjj h GLU 661 CO -0.06 0.95 -0.69 0.87 -1.00 0.00 0.00 179.01 179.08 2bjj h LYS 662 N 1.05 0.18 0.00 2.33 1.57 -1.81 0.21 116.57 120.10 2bjj h LYS 662 Ca 0.23 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2bjj h LYS 662 Cb 0.31 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2bjj h LYS 662 CO -0.01 0.80 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.75 2bjj h TYR 663 N 0.12 -0.00 -0.09 -1.35 3.20 -0.73 -3.31 116.97 114.82 2bjj h TYR 663 Ca -0.02 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.68 2bjj h TYR 663 Cb 1.23 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2bjj h TYR 663 CO 0.02 0.87 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.66 2bjj h LEU 664 N -0.90 0.43 0.00 2.82 3.38 -0.85 -3.49 115.31 116.71 2bjj h LEU 664 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bjj h LEU 664 Cb 0.88 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2bjj h LEU 664 CO 0.00 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.13 2bjj n GLY 665 N 0.46 0.62 0.26 0.83 0.00 0.06 -4.51 105.19 102.91 2bjj n GLY 665 Ca -0.04 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 2bjj n GLY 665 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bjj h PRO 666 N 0.00 0.55 -0.01 1.61 0.13 -1.92 -2.27 132.00 130.09 2bjj h PRO 666 Ca 0.00 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2bjj h PRO 666 Cb 0.00 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.07 2bjj h PRO 666 CO 0.00 0.67 0.00 1.96 -0.23 0.00 0.00 178.00 180.40 2bjj h GLN 667 N 0.51 0.02 -0.37 0.86 7.50 -1.94 -2.12 115.11 119.56 2bjj h GLN 667 Ca 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.22 2bjj h GLN 667 Cb 0.52 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 2bjj h GLN 667 CO 0.03 0.29 0.18 -0.92 -1.50 0.00 0.00 178.83 176.91 2bjj h TYR 668 N -0.26 0.53 -0.88 2.96 3.20 -1.76 -1.95 116.97 118.81 2bjj h TYR 668 Ca 0.00 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2bjj h TYR 668 Cb 0.28 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 2bjj h TYR 668 CO 0.02 0.45 0.56 0.28 -1.64 0.00 0.00 178.16 177.83 2bjj h VAL 669 N 0.46 1.10 -0.28 1.81 2.07 -1.44 -1.48 116.25 118.50 2bjj h VAL 669 Ca 0.13 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2bjj h VAL 669 Cb 0.12 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 2bjj h VAL 669 CO -0.02 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.89 2bjj h ALA 670 N 1.38 0.33 -0.34 1.67 0.00 -1.15 -1.53 119.26 119.62 2bjj h ALA 670 Ca 0.36 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.35 2bjj h ALA 670 Cb 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2bjj h ALA 670 CO -0.14 -0.28 0.01 0.78 0.00 0.00 0.00 179.25 179.63 2bjj h GLY 671 N 0.26 0.35 1.00 0.00 0.00 -0.80 -1.72 103.07 102.15 2bjj h GLY 671 Ca 0.12 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 2bjj h GLY 671 CO -0.10 -0.07 -0.22 -2.22 0.00 0.00 0.00 176.54 173.93 2bjj h ILE 672 N 0.11 1.29 -0.78 2.60 2.04 -1.23 -1.73 117.51 119.80 2bjj h ILE 672 Ca 0.16 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.73 2bjj h ILE 672 Cb 0.22 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 2bjj h ILE 672 CO -0.26 0.45 0.46 0.74 0.00 0.00 0.00 178.15 179.54 2bjj h THR 673 N 0.57 0.98 -0.28 -0.27 2.02 -1.11 0.15 112.91 114.98 2bjj h THR 673 Ca 0.07 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.01 2bjj h THR 673 Cb 0.78 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2bjj h THR 673 CO 0.06 0.15 0.04 0.78 0.37 0.00 0.00 175.52 176.92 2bjj h ASN 674 N 0.82 -0.02 -0.44 4.18 2.35 -1.14 -2.89 115.58 118.44 2bjj h ASN 674 Ca 0.35 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 56.11 2bjj h ASN 674 Cb 0.23 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2bjj h ASN 674 CO -0.20 0.02 0.14 -0.07 -1.65 0.00 0.00 177.43 175.68 2bjj h LEU 675 N 0.14 0.70 -1.41 1.61 3.38 -0.27 -2.93 115.31 116.53 2bjj h LEU 675 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2bjj h LEU 675 Cb 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2bjj h LEU 675 CO -0.18 0.68 -0.13 0.11 0.09 0.00 0.00 178.44 179.01 2bjj h LYS 676 N 0.73 0.00 -0.74 1.13 1.79 -0.61 -2.58 116.57 116.29 2bjj h LYS 676 Ca 0.17 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.75 2bjj h LYS 676 Cb 0.24 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 2bjj h LYS 676 CO -0.01 0.13 0.49 0.87 -1.08 0.00 0.00 179.45 179.85 2bjj h LYS 677 N 0.00 0.54 -0.03 3.15 1.79 -1.31 -2.19 116.57 118.51 2bjj h LYS 677 Ca -0.00 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 2bjj h LYS 677 Cb 0.58 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2bjj h LYS 677 CO 0.02 0.35 -0.21 0.00 -1.08 0.00 0.00 179.45 178.53 2bjj n SER 679 N -4.27 0.00 -4.63 0.00 3.41 -0.83 -5.06 113.62 102.24 2bjj n SER 679 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 2bjj n SER 679 Cb 0.28 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 2bjj n SER 679 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bjj s THR 680 N -0.57 3.51 0.69 6.66 -4.23 -1.22 -4.53 115.64 115.94 2bjj s THR 680 Ca 0.00 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 58.80 2bjj s THR 680 Cb 0.00 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.07 2bjj s THR 680 CO 0.00 -0.17 1.06 -0.94 -0.54 0.00 0.00 174.62 174.04 2bjj s SER 681 N -3.06 5.47 0.22 3.99 1.04 -1.26 -4.93 113.70 115.18 2bjj s SER 681 Ca 0.27 1.44 -0.08 0.00 0.48 0.00 0.00 55.95 58.06 2bjj s SER 681 Cb -0.09 -2.33 0.36 0.00 0.10 0.00 0.00 66.02 64.07 2bjj s SER 681 CO 0.18 -1.36 1.70 -0.65 0.98 0.00 0.00 173.24 174.09 2bjj h PRO 682 N -0.66 0.26 -0.93 4.02 0.11 -2.00 -2.26 132.00 130.54 2bjj h PRO 682 Ca -0.45 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 2bjj h PRO 682 Cb 1.22 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2bjj h PRO 682 CO 0.60 0.17 0.61 1.25 -0.21 0.00 0.00 178.00 180.42 2bjj h LEU 683 N 0.27 1.02 -0.35 2.35 5.85 -1.96 0.31 115.31 122.80 2bjj h LEU 683 Ca 0.36 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 2bjj h LEU 683 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2bjj h LEU 683 CO -0.45 0.72 -0.04 0.25 -0.34 0.00 0.00 178.44 178.58 2bjj h LEU 684 N 1.20 0.65 -0.42 2.25 5.85 -1.89 0.60 115.31 123.55 2bjj h LEU 684 Ca 0.36 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2bjj h LEU 684 Cb -0.04 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2bjj h LEU 684 CO -0.11 0.83 0.12 -0.08 -0.34 0.00 0.00 178.44 178.86 2bjj h GLU 685 N 0.45 0.26 -0.42 1.25 4.81 -1.05 -0.48 114.58 119.41 2bjj h GLU 685 Ca 0.10 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2bjj h GLU 685 Cb 0.52 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2bjj h GLU 685 CO 0.03 0.17 0.21 0.00 -0.73 0.00 0.00 179.01 178.69 2bjj h ALA 686 N 1.29 0.52 -0.08 2.92 0.00 -0.15 -2.66 119.26 121.10 2bjj h ALA 686 Ca 0.20 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2bjj h ALA 686 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2bjj h ALA 686 CO -0.22 -0.15 -0.42 0.00 0.00 0.00 0.00 179.25 178.46 2bjj h GLU 688 N 0.16 0.48 -0.79 0.00 4.57 -0.80 -1.81 114.58 116.39 2bjj h GLU 688 Ca 0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2bjj h GLU 688 Cb 0.81 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 2bjj h GLU 688 CO 0.06 0.32 0.39 0.35 -1.18 0.00 0.00 179.01 178.95 2bjj h PHE 689 N 0.49 1.12 0.00 0.92 3.04 -1.27 -2.76 116.94 118.48 2bjj h PHE 689 Ca 0.15 -0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.99 2bjj h PHE 689 Cb -0.02 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 2bjj h PHE 689 CO -0.06 0.81 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.67 2bjj h LEU 690 N 1.11 0.00 0.00 0.59 3.38 -1.13 -3.16 115.31 116.10 2bjj h LEU 690 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2bjj h LEU 690 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2bjj h LEU 690 CO -0.04 0.29 -1.18 0.54 0.09 0.00 0.00 178.44 178.15 2bjj n ARG 691 N -3.24 0.59 0.00 1.13 5.12 -0.71 -5.10 116.66 114.45 2bjj n ARG 691 Ca 0.02 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2bjj n ARG 691 Cb 0.59 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 2bjj n ARG 691 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33