#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1btj s THR 5 N 0.00 5.22 -0.16 3.15 2.01 -1.26 -3.20 115.64 121.40 1btj s THR 5 Ca 0.00 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1btj s THR 5 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1btj s THR 5 CO 0.00 -0.38 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.67 1btj s VAL 6 N -2.06 2.26 -0.67 3.82 1.01 0.34 -4.90 120.40 120.21 1btj s VAL 6 Ca 0.36 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1btj s VAL 6 Cb -0.09 -1.94 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1btj s VAL 6 CO 0.31 0.53 0.80 -0.13 0.00 0.00 0.00 175.10 176.61 1btj s ARG 7 N 0.98 3.17 -0.18 2.72 0.52 -1.26 0.13 118.95 125.03 1btj s ARG 7 Ca -0.03 -1.41 -0.28 0.00 -0.52 0.00 0.00 55.73 53.49 1btj s ARG 7 Cb -0.15 -4.36 -0.00 0.00 0.52 0.00 0.00 34.95 30.96 1btj s ARG 7 CO -0.05 -1.59 0.97 -0.46 0.02 0.00 0.00 175.30 174.19 1btj s TRP 8 N 2.66 3.41 0.06 -0.53 -0.11 0.60 0.15 118.94 125.17 1btj s TRP 8 Ca 0.16 1.44 -0.27 0.00 1.22 0.00 0.00 56.10 58.65 1btj s TRP 8 Cb -0.19 -3.17 -0.05 0.00 -1.50 0.00 0.00 33.47 28.55 1btj s TRP 8 CO 0.03 -0.35 0.84 0.00 -4.62 0.00 0.00 176.95 172.85 1btj s ALA 10 N 0.03 2.19 -0.46 0.00 0.00 0.15 -4.72 121.76 118.95 1btj s ALA 10 Ca 0.42 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1btj s ALA 10 Cb -0.21 -0.46 0.48 0.00 0.00 0.00 0.00 23.12 22.92 1btj s ALA 10 CO 0.25 0.52 1.64 1.33 0.00 0.00 0.00 175.76 179.50 1btj n VAL 11 N 1.83 3.05 0.00 0.00 0.24 -1.26 -1.22 118.33 120.96 1btj n VAL 11 Ca -0.17 -3.29 0.00 0.00 -2.04 0.00 0.00 64.34 58.85 1btj n VAL 11 Cb 0.52 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1btj n VAL 11 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1btj n SER 12 N -0.90 0.00 0.07 -1.34 3.41 -1.26 -4.73 113.62 108.87 1btj n SER 12 Ca 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 59.06 1btj n SER 12 Cb 0.90 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.74 1btj n SER 12 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1btj h GLU 13 N 0.00 0.00 -0.17 4.33 5.08 -1.96 -0.11 114.58 121.75 1btj h GLU 13 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1btj h GLU 13 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1btj h GLU 13 CO 0.00 0.94 -0.53 0.45 -1.00 0.00 0.00 179.01 178.88 1btj h HIS 14 N 0.00 0.61 0.03 4.33 3.86 -1.95 -1.40 115.15 120.62 1btj h HIS 14 Ca -0.01 -0.21 -0.24 0.00 -1.16 0.00 0.00 60.37 58.75 1btj h HIS 14 Cb 1.74 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.09 1btj h HIS 14 CO 0.00 0.91 -1.00 1.49 0.86 0.00 0.00 177.93 180.19 1btj h GLU 15 N 0.38 0.39 -0.85 2.45 4.81 -1.93 -2.98 114.58 116.86 1btj h GLU 15 Ca 0.01 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1btj h GLU 15 Cb 1.05 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 1btj h GLU 15 CO 0.10 1.13 0.48 0.00 -0.73 0.00 0.00 179.01 179.99 1btj h ALA 16 N 0.70 1.09 -0.09 2.92 0.00 -0.69 -1.42 119.26 121.78 1btj h ALA 16 Ca -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1btj h ALA 16 Cb 1.65 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1btj h ALA 16 CO 0.17 0.58 -0.04 1.15 0.00 0.00 0.00 179.25 181.12 1btj h THR 17 N 1.18 1.31 -0.55 0.00 2.02 -1.32 -2.53 112.91 113.03 1btj h THR 17 Ca 0.30 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.49 1btj h THR 17 Cb 0.01 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1btj h THR 17 CO -0.05 0.29 0.37 0.50 0.37 0.00 0.00 175.52 176.99 1btj h LYS 18 N -0.18 0.59 0.02 6.66 3.64 -1.35 0.23 116.57 126.18 1btj h LYS 18 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1btj h LYS 18 Cb 0.47 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1btj h LYS 18 CO 0.01 0.39 -0.01 0.00 -2.27 0.00 0.00 179.45 177.57 1btj h GLN 20 N -0.30 1.16 0.00 0.00 4.20 -0.92 0.65 115.11 119.91 1btj h GLN 20 Ca -0.00 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 1btj h GLN 20 Cb 0.28 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1btj h GLN 20 CO 0.01 0.85 -0.34 1.03 -0.67 0.00 0.00 178.83 179.70 1btj h SER 21 N 1.17 0.00 0.34 1.46 0.87 -0.31 0.72 113.55 117.80 1btj h SER 21 Ca 0.30 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.64 1btj h SER 21 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1btj h SER 21 CO -0.05 0.34 -0.90 0.15 -0.53 0.00 0.00 176.83 175.84 1btj h PHE 22 N 0.00 0.57 0.34 2.24 3.57 0.21 -2.66 116.94 121.21 1btj h PHE 22 Ca -0.00 -0.30 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 1btj h PHE 22 Cb 0.62 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1btj h PHE 22 CO 0.00 1.11 -0.16 -0.09 -2.23 0.00 0.00 178.31 176.94 1btj h ARG 23 N 0.23 -0.44 -0.88 1.11 2.43 0.17 -2.94 114.38 114.07 1btj h ARG 23 Ca -0.07 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.31 1btj h ARG 23 Cb 1.52 0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 31.01 1btj h ARG 23 CO 0.15 -0.29 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.68 1btj h ASP 24 N -0.59 -0.79 -0.08 -3.80 3.32 -1.04 -1.98 116.42 111.46 1btj h ASP 24 Ca -0.05 0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.30 1btj h ASP 24 Cb 0.35 0.54 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 1btj h ASP 24 CO 0.08 -0.29 -0.49 0.45 -1.72 0.00 0.00 179.24 177.26 1btj h HIS 25 N 0.00 -1.43 -1.00 4.55 3.86 -1.45 0.13 115.15 119.82 1btj h HIS 25 Ca 0.43 0.05 0.24 0.00 -1.16 0.00 0.00 60.37 59.93 1btj h HIS 25 Cb 0.68 0.64 -0.12 0.00 1.06 0.00 0.00 27.41 29.66 1btj h HIS 25 CO -0.67 -0.53 0.59 0.52 0.86 0.00 0.00 177.93 178.70 1btj h MET 26 N -0.58 0.58 0.12 2.45 2.86 -1.18 0.11 114.93 119.29 1btj h MET 26 Ca 0.04 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1btj h MET 26 Cb 0.68 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1btj h MET 26 CO -0.39 0.39 -0.37 0.87 1.06 0.00 0.00 176.91 178.47 1btj h LYS 27 N 0.60 -0.57 -0.04 1.72 1.57 -0.49 0.77 116.57 120.12 1btj h LYS 27 Ca 0.63 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.46 1btj h LYS 27 Cb 1.16 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1btj h LYS 27 CO -0.46 -0.38 0.20 0.66 -0.57 0.00 0.00 179.45 178.89 1btj h SER 28 N -0.59 0.00 0.00 0.86 4.64 -0.12 -2.95 113.55 115.38 1btj h SER 28 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1btj h SER 28 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1btj h SER 28 CO -0.22 0.00 -0.52 1.33 -0.87 0.00 0.00 176.83 176.55 1btj n VAL 29 N -3.14 0.00 -4.20 0.95 0.24 -0.34 -5.06 118.33 106.78 1btj n VAL 29 Ca -0.01 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 1btj n VAL 29 Cb 0.27 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.29 1btj n VAL 29 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1btj s ILE 30 N -1.54 3.66 0.38 1.34 -1.09 0.25 -5.09 121.20 119.12 1btj s ILE 30 Ca -0.00 -1.12 -0.25 0.00 -2.23 0.00 0.00 60.65 57.05 1btj s ILE 30 Cb 0.00 -2.72 -0.09 0.00 -1.58 0.00 0.00 42.46 38.07 1btj s ILE 30 CO 0.02 0.13 1.05 -2.16 -1.23 0.00 0.00 174.94 172.75 1btj s PRO 31 N -2.20 4.24 0.44 2.79 0.04 -1.26 -4.73 135.00 134.31 1btj s PRO 31 Ca 0.23 1.54 0.26 0.00 0.04 0.00 0.00 61.00 63.07 1btj s PRO 31 Cb -0.11 -2.63 1.29 0.00 0.04 0.00 0.00 34.50 33.09 1btj s PRO 31 CO 0.15 -0.08 1.73 0.77 0.04 0.00 0.00 177.00 179.60 1btj h SER 32 N 2.68 0.30 0.20 6.66 0.02 -1.98 0.28 113.55 121.71 1btj h SER 32 Ca -0.48 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1btj h SER 32 Cb 1.21 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1btj h SER 32 CO 0.63 -0.01 -0.02 -2.24 -1.14 0.00 0.00 176.83 174.05 1btj h ASP 33 N 0.23 0.00 -4.16 3.07 3.04 -2.04 -3.46 116.42 113.10 1btj h ASP 33 Ca 0.67 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.98 1btj h ASP 33 Cb 2.01 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 40.43 1btj h ASP 33 CO -0.28 0.02 0.28 -0.83 -2.04 0.00 0.00 179.24 176.39 1btj s GLY 34 N -4.15 1.61 0.37 7.15 0.00 0.99 -4.78 107.32 108.51 1btj s GLY 34 Ca -0.04 -0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.25 1btj s GLY 34 CO 0.48 0.31 1.18 2.56 0.00 0.00 0.00 173.10 177.62 1btj s PRO 35 N -5.05 4.21 0.19 2.90 0.04 -1.26 -4.60 135.00 131.43 1btj s PRO 35 Ca 0.62 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.58 1btj s PRO 35 Cb -0.16 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 1btj s PRO 35 CO 0.56 -0.20 -0.00 -1.54 0.04 0.00 0.00 177.00 175.85 1btj s SER 36 N -0.99 1.39 -0.11 6.66 1.04 -1.19 -4.88 113.70 115.62 1btj s SER 36 Ca 0.54 -1.18 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 1btj s SER 36 Cb -0.32 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1btj s SER 36 CO 0.41 -0.55 -0.01 0.54 0.98 0.00 0.00 173.24 174.62 1btj s VAL 37 N -3.58 4.19 0.09 5.02 0.11 -1.26 0.13 120.40 125.09 1btj s VAL 37 Ca 0.25 -0.28 0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1btj s VAL 37 Cb 0.06 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 1btj s VAL 37 CO 0.05 0.56 -0.14 0.00 -3.33 0.00 0.00 175.10 172.24 1btj s ALA 38 N -0.40 2.79 -0.08 1.54 0.00 0.34 -4.78 121.76 121.19 1btj s ALA 38 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1btj s ALA 38 Cb -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1btj s ALA 38 CO 0.02 0.61 -0.05 0.00 0.00 0.00 0.00 175.76 176.34 1btj s VAL 40 N -0.75 0.08 -0.19 0.00 1.01 -0.17 -4.89 120.40 115.49 1btj s VAL 40 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1btj s VAL 40 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1btj s VAL 40 CO 0.02 0.08 -0.13 -0.75 0.00 0.00 0.00 175.10 174.32 1btj s LYS 41 N 0.59 3.19 0.34 2.72 2.20 -1.26 0.30 119.74 127.82 1btj s LYS 41 Ca -0.05 -0.74 0.09 0.00 -0.36 0.00 0.00 55.97 54.91 1btj s LYS 41 Cb -0.08 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.44 1btj s LYS 41 CO -0.01 -0.14 -0.07 0.15 -0.36 0.00 0.00 175.35 174.91 1btj s LYS 42 N 1.23 1.79 0.42 4.03 -0.14 -0.36 -4.96 119.74 121.75 1btj s LYS 42 Ca 0.03 -1.94 0.17 0.00 -1.36 0.00 0.00 55.97 52.87 1btj s LYS 42 Cb -0.14 -1.59 0.93 0.00 -1.68 0.00 0.00 37.83 35.35 1btj s LYS 42 CO -0.06 0.09 1.89 0.00 -0.76 0.00 0.00 175.35 176.51 1btj h ALA 43 N 2.03 1.34 -2.59 5.17 0.00 -1.91 -3.37 119.26 119.93 1btj h ALA 43 Ca -0.42 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.32 1btj h ALA 43 Cb 1.25 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1btj h ALA 43 CO 0.71 0.36 0.38 -1.54 0.00 0.00 0.00 179.25 179.16 1btj s SER 44 N -6.68 -0.34 0.17 0.00 1.04 -1.26 -4.81 113.70 101.82 1btj s SER 44 Ca -0.02 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 1btj s SER 44 Cb 0.14 0.52 0.14 0.00 0.10 0.00 0.00 66.02 66.92 1btj s SER 44 CO 0.68 -0.91 1.23 0.00 0.98 0.00 0.00 173.24 175.23 1btj n TYR 45 N -0.38 -0.06 -0.03 5.02 4.11 -1.26 -0.40 117.16 124.16 1btj n TYR 45 Ca -0.09 0.98 -0.10 0.00 -0.00 0.00 0.00 57.90 58.69 1btj n TYR 45 Cb 0.62 -0.75 -0.04 0.00 -0.00 0.00 0.00 39.34 39.17 1btj n TYR 45 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1btj h LEU 46 N 0.00 0.20 -0.88 -3.48 3.38 -1.97 0.95 115.31 113.52 1btj h LEU 46 Ca 0.24 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.30 1btj h LEU 46 Cb 0.44 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1btj h LEU 46 CO -0.78 0.18 0.50 0.44 0.09 0.00 0.00 178.44 178.86 1btj h ASP 47 N 0.21 0.68 -0.68 -0.43 3.32 -1.12 0.65 116.42 119.04 1btj h ASP 47 Ca 0.06 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1btj h ASP 47 Cb 0.01 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1btj h ASP 47 CO -0.01 0.34 0.30 0.00 -1.72 0.00 0.00 179.24 178.15 1btj h ILE 49 N 0.95 0.87 0.11 0.00 2.04 0.23 -0.96 117.51 120.75 1btj h ILE 49 Ca 0.23 -0.55 -0.36 0.00 1.00 0.00 0.00 64.86 65.18 1btj h ILE 49 Cb 0.16 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1btj h ILE 49 CO -0.02 0.14 -1.99 0.54 0.00 0.00 0.00 178.15 176.82 1btj n ARG 50 N -4.02 0.74 0.29 2.37 1.74 0.18 -2.76 116.66 115.20 1btj n ARG 50 Ca -0.02 0.26 0.17 0.00 -0.77 0.00 0.00 57.85 57.49 1btj n ARG 50 Cb 0.23 -1.71 0.88 0.00 -1.02 0.00 0.00 32.46 30.84 1btj n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1btj h ALA 51 N 0.18 1.15 0.10 7.54 0.00 0.12 0.24 119.26 128.59 1btj h ALA 51 Ca -0.42 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1btj h ALA 51 Cb 2.03 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.83 1btj h ALA 51 CO 0.08 0.06 -0.69 0.82 0.00 0.00 0.00 179.25 179.53 1btj h ILE 52 N 0.00 1.53 -0.28 0.00 2.04 -1.27 0.35 117.51 119.87 1btj h ILE 52 Ca -0.00 -2.42 0.03 0.00 1.00 0.00 0.00 64.86 63.47 1btj h ILE 52 Cb 0.25 3.10 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 1btj h ILE 52 CO 0.01 0.68 0.10 0.00 0.00 0.00 0.00 178.15 178.94 1btj h ALA 53 N 0.12 0.32 0.00 1.87 0.00 -0.80 -1.99 119.26 118.78 1btj h ALA 53 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1btj h ALA 53 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1btj h ALA 53 CO 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1btj n ALA 54 N -2.28 2.44 -3.20 0.00 0.00 0.64 -4.87 120.51 113.25 1btj n ALA 54 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1btj n ALA 54 Cb 0.09 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.59 1btj n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1btj n ASN 55 N -0.05 -6.18 -0.00 0.00 5.15 -0.75 -4.89 115.26 108.54 1btj n ASN 55 Ca 0.00 -0.37 0.06 0.00 -0.60 0.00 0.00 54.58 53.67 1btj n ASN 55 Cb 0.21 -4.95 -0.08 0.00 -0.53 0.00 0.00 39.78 34.42 1btj n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1btj n GLU 56 N -4.32 1.38 -4.04 1.20 1.02 0.12 -5.01 120.64 110.99 1btj n GLU 56 Ca -0.08 -0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 1btj n GLU 56 Cb 0.60 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 1btj n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1btj s ALA 57 N -2.57 0.36 -0.09 0.62 0.00 -0.83 -4.95 121.76 114.30 1btj s ALA 57 Ca -0.01 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1btj s ALA 57 Cb 0.08 0.92 -0.08 0.00 0.00 0.00 0.00 23.12 24.04 1btj s ALA 57 CO 0.49 -0.60 -0.04 -0.25 0.00 0.00 0.00 175.76 175.36 1btj n ASP 58 N -0.19 3.18 -3.72 0.00 8.00 0.39 -4.38 116.55 119.83 1btj n ASP 58 Ca -0.06 -0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 1btj n ASP 58 Cb 0.63 0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 41.87 1btj n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1btj s ALA 59 N -2.19 -1.03 0.11 2.24 0.00 -1.05 -4.37 121.76 115.47 1btj s ALA 59 Ca -0.09 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1btj s ALA 59 Cb 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1btj s ALA 59 CO 0.26 -0.24 -0.10 0.14 0.00 0.00 0.00 175.76 175.82 1btj s VAL 60 N -0.42 1.01 -0.15 0.00 -7.23 -1.22 -1.19 120.40 111.19 1btj s VAL 60 Ca -0.06 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1btj s VAL 60 Cb -0.03 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1btj s VAL 60 CO 0.03 -0.58 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.33 1btj s THR 61 N -2.57 4.04 0.19 5.32 2.01 -1.26 -0.43 115.64 122.95 1btj s THR 61 Ca 0.08 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1btj s THR 61 Cb -0.02 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 1btj s THR 61 CO 0.00 0.50 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.60 1btj s LEU 62 N 0.23 2.43 0.56 4.42 1.43 0.10 -4.86 118.68 122.99 1btj s LEU 62 Ca -0.01 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 51.90 1btj s LEU 62 Cb -0.14 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1btj s LEU 62 CO 0.02 -0.36 0.94 -1.81 0.23 0.00 0.00 176.35 175.38 1btj s ASP 63 N -3.26 6.27 0.25 2.29 1.01 -1.26 -0.88 116.67 121.09 1btj s ASP 63 Ca 0.22 1.27 -0.13 0.00 0.71 0.00 0.00 52.55 54.62 1btj s ASP 63 Cb 0.03 -2.40 0.33 0.00 1.01 0.00 0.00 42.92 41.89 1btj s ASP 63 CO 0.05 -0.75 1.53 0.00 0.21 0.00 0.00 175.17 176.21 1btj n ALA 64 N -2.47 0.03 -0.29 5.23 0.00 -1.21 -1.26 120.51 120.54 1btj n ALA 64 Ca 0.04 1.02 0.09 0.00 0.00 0.00 0.00 53.44 54.59 1btj n ALA 64 Cb 0.54 -0.53 0.25 0.00 0.00 0.00 0.00 19.45 19.71 1btj n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1btj h GLY 65 N 0.00 1.37 2.00 0.00 0.00 -1.93 0.43 103.07 104.94 1btj h GLY 65 Ca 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1btj h GLY 65 CO -0.99 -0.15 0.00 1.41 0.00 0.00 0.00 176.54 176.81 1btj h LEU 66 N 0.48 0.00 -0.45 3.11 3.38 -1.55 -2.99 115.31 117.29 1btj h LEU 66 Ca 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 1btj h LEU 66 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1btj h LEU 66 CO -0.45 0.00 0.13 0.58 0.09 0.00 0.00 178.44 178.80 1btj h VAL 67 N 0.00 1.23 0.04 1.22 2.07 0.51 -0.92 116.25 120.40 1btj h VAL 67 Ca 0.00 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1btj h VAL 67 Cb 0.72 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1btj h VAL 67 CO 0.00 0.27 -0.02 0.22 0.02 0.00 0.00 177.57 178.06 1btj h TYR 68 N 0.59 -0.05 -0.02 1.57 3.20 -1.31 -2.55 116.97 118.40 1btj h TYR 68 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1btj h TYR 68 Cb 0.28 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1btj h TYR 68 CO 0.01 0.03 0.01 -0.44 -1.64 0.00 0.00 178.16 176.13 1btj h ASP 69 N -0.13 0.02 -0.29 -2.11 3.32 -1.50 -2.45 116.42 113.29 1btj h ASP 69 Ca -0.01 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.02 1btj h ASP 69 Cb 0.11 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1btj h ASP 69 CO 0.01 0.13 0.47 0.00 -1.72 0.00 0.00 179.24 178.12 1btj h ALA 70 N 0.90 1.89 0.14 3.45 0.00 -1.11 -1.94 119.26 122.60 1btj h ALA 70 Ca 0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1btj h ALA 70 Cb 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1btj h ALA 70 CO -0.00 -0.62 -1.62 -0.92 0.00 0.00 0.00 179.25 176.09 1btj h TYR 71 N 0.00 0.56 -2.31 0.00 5.03 -1.01 0.63 116.97 119.87 1btj h TYR 71 Ca 0.14 -0.41 -0.52 0.00 2.58 0.00 0.00 58.73 60.52 1btj h TYR 71 Cb 1.07 -0.02 0.24 0.00 1.55 0.00 0.00 36.73 39.56 1btj h TYR 71 CO 0.00 1.64 -1.51 1.28 -1.32 0.00 0.00 178.16 178.25 1btj n LEU 72 N -3.74 -3.20 -4.77 2.82 4.77 -0.73 -2.06 117.00 110.08 1btj n LEU 72 Ca -0.26 0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.49 1btj n LEU 72 Cb 0.99 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1btj n LEU 72 CO 0.45 -4.27 0.59 0.00 -1.33 0.00 0.00 177.39 172.83 1btj s ALA 73 N -2.16 3.33 -0.38 -1.18 0.00 -1.26 0.05 121.76 120.16 1btj s ALA 73 Ca 0.47 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.99 1btj s ALA 73 Cb -0.13 -3.10 0.61 0.00 0.00 0.00 0.00 23.12 20.50 1btj s ALA 73 CO 0.73 0.23 1.58 -0.35 0.00 0.00 0.00 175.76 177.95 1btj n PRO 74 N 1.11 3.36 -0.01 0.00 -0.04 -1.26 -4.89 135.00 133.27 1btj n PRO 74 Ca -0.01 -2.47 -0.14 0.00 -0.04 0.00 0.00 63.50 60.84 1btj n PRO 74 Cb 0.49 -2.05 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1btj n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1btj n ASN 75 N 0.03 1.40 -2.32 3.54 4.13 -0.25 -4.97 115.26 116.82 1btj n ASN 75 Ca 0.31 0.33 -0.12 0.00 1.68 0.00 0.00 54.58 56.78 1btj n ASN 75 Cb 1.16 -0.40 0.01 0.00 -1.54 0.00 0.00 39.78 39.01 1btj n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1btj n ASN 76 N -3.23 -1.88 -4.48 6.41 4.13 0.11 -4.59 115.26 111.73 1btj n ASN 76 Ca -0.23 -0.17 -0.33 0.00 1.68 0.00 0.00 54.58 55.52 1btj n ASN 76 Cb 1.05 -0.58 -0.13 0.00 -1.54 0.00 0.00 39.78 38.59 1btj n ASN 76 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1btj s LEU 77 N -1.72 2.87 0.15 3.41 1.43 0.22 -2.93 118.68 122.11 1btj s LEU 77 Ca 0.09 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1btj s LEU 77 Cb -0.01 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1btj s LEU 77 CO 0.32 0.29 0.24 -1.59 0.23 0.00 0.00 176.35 175.85 1btj s LYS 78 N -0.41 3.29 0.03 1.70 -2.85 -0.49 -3.73 119.74 117.28 1btj s LYS 78 Ca 0.05 -0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 54.07 1btj s LYS 78 Cb -0.12 -2.88 -0.04 0.00 -2.06 0.00 0.00 37.83 32.73 1btj s LYS 78 CO 0.02 0.51 0.92 -1.25 0.10 0.00 0.00 175.35 175.65 1btj s PRO 79 N -3.17 4.58 0.00 1.78 0.04 -1.26 -2.15 135.00 134.81 1btj s PRO 79 Ca 0.34 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1btj s PRO 79 Cb -0.11 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1btj s PRO 79 CO 0.27 0.07 0.00 1.33 0.04 0.00 0.00 177.00 178.71 1btj n VAL 80 N 3.48 0.00 -4.41 -0.36 0.24 -0.86 -4.85 118.33 111.57 1btj n VAL 80 Ca 0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.06 1btj n VAL 80 Cb 0.50 -0.58 -0.17 0.00 -1.47 0.00 0.00 33.84 32.13 1btj n VAL 80 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1btj s VAL 81 N -1.83 1.30 0.31 3.34 1.01 -1.18 -1.41 120.40 121.93 1btj s VAL 81 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1btj s VAL 81 Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1btj s VAL 81 CO 0.00 0.40 0.55 0.00 0.00 0.00 0.00 175.10 176.05 1btj s ALA 82 N 0.99 3.64 -0.27 5.51 0.00 0.67 -0.16 121.76 132.14 1btj s ALA 82 Ca -0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1btj s ALA 82 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1btj s ALA 82 CO -0.01 0.17 0.02 -2.00 0.00 0.00 0.00 175.76 173.94 1btj s GLU 83 N -3.76 3.03 0.19 0.00 2.12 -1.11 -0.91 118.70 118.28 1btj s GLU 83 Ca 0.43 -0.87 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 1btj s GLU 83 Cb -0.10 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1btj s GLU 83 CO 0.32 -0.40 0.39 -0.59 -0.54 0.00 0.00 175.26 174.44 1btj s PHE 84 N 1.43 3.48 0.30 5.30 -0.71 -0.55 -4.55 117.98 122.68 1btj s PHE 84 Ca 0.02 0.36 0.02 0.00 -1.04 0.00 0.00 56.93 56.29 1btj s PHE 84 Cb -0.17 -1.86 -0.04 0.00 -1.21 0.00 0.00 43.02 39.74 1btj s PHE 84 CO -0.01 0.39 0.13 0.71 -1.34 0.00 0.00 175.22 175.10 1btj s TYR 85 N -1.84 1.62 0.00 3.49 1.51 0.60 -0.22 117.35 122.50 1btj s TYR 85 Ca 0.39 -1.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 1btj s TYR 85 Cb -0.11 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 1btj s TYR 85 CO 0.29 -0.39 0.00 0.41 -1.11 0.00 0.00 175.55 174.74 1btj n GLY 86 N -0.57 0.91 0.00 0.71 0.00 -1.26 -1.18 105.19 103.80 1btj n GLY 86 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1btj n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1btj n SER 87 N 0.02 0.00 0.00 1.61 3.41 -1.26 -5.03 113.62 112.37 1btj n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1btj n SER 87 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1btj n SER 87 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1btj n LYS 88 N 0.00 2.35 -0.02 4.33 4.76 -1.26 -4.66 118.16 123.66 1btj n LYS 88 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1btj n LYS 88 Cb 0.00 -0.22 -0.14 0.00 -1.84 0.00 0.00 35.03 32.83 1btj n LYS 88 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1btj n GLU 89 N -0.30 0.73 -3.06 1.97 0.00 -1.26 -4.50 120.64 114.22 1btj n GLU 89 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 57.16 57.19 1btj n GLU 89 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 31.44 29.72 1btj n GLU 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1btj n ASP 90 N -3.39 2.34 -4.67 -1.84 2.03 -1.26 -5.09 116.55 104.66 1btj n ASP 90 Ca -0.32 -3.28 -0.43 0.00 0.52 0.00 0.00 54.79 51.28 1btj n ASP 90 Cb 1.04 -0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1btj n ASP 90 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1btj s PRO 91 N -2.88 4.27 0.09 -0.67 0.04 -1.26 -4.24 135.00 130.35 1btj s PRO 91 Ca 0.43 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 1btj s PRO 91 Cb 0.33 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 1btj s PRO 91 CO -0.10 -0.61 0.46 -0.65 0.04 0.00 0.00 177.00 176.14 1btj s GLN 92 N 2.93 3.89 0.00 4.56 1.11 -0.32 -4.84 119.66 126.98 1btj s GLN 92 Ca 0.59 0.35 0.00 0.00 0.01 0.00 0.00 55.36 56.31 1btj s GLN 92 Cb -0.26 -3.03 0.00 0.00 -1.01 0.00 0.00 33.01 28.72 1btj s GLN 92 CO 0.21 0.56 0.00 0.25 0.01 0.00 0.00 175.29 176.32 1btj n THR 93 N 1.08 0.00 -4.28 -0.19 -2.24 -1.26 -0.29 114.28 107.10 1btj n THR 93 Ca -0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 1btj n THR 93 Cb 0.52 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1btj n THR 93 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1btj n PHE 94 N -1.47 0.24 -3.68 4.78 3.01 -1.26 0.16 117.46 119.24 1btj n PHE 94 Ca 0.00 -1.94 -0.10 0.00 1.01 0.00 0.00 57.45 56.42 1btj n PHE 94 Cb 0.05 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 39.12 1btj n PHE 94 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1btj s TYR 95 N -2.34 -0.73 0.31 1.38 -0.85 0.24 -4.81 117.35 110.55 1btj s TYR 95 Ca 0.10 1.55 -0.27 0.00 -0.52 0.00 0.00 57.07 57.93 1btj s TYR 95 Cb -0.01 0.36 -0.10 0.00 0.38 0.00 0.00 41.96 42.60 1btj s TYR 95 CO 0.06 -0.38 0.98 0.71 -1.52 0.00 0.00 175.55 175.40 1btj s TYR 96 N 1.27 3.67 -0.34 -3.49 2.02 -1.26 -2.16 117.35 117.07 1btj s TYR 96 Ca -0.08 1.78 -0.12 0.00 -0.37 0.00 0.00 57.07 58.28 1btj s TYR 96 Cb -0.07 -3.01 -0.01 0.00 -0.40 0.00 0.00 41.96 38.48 1btj s TYR 96 CO -0.12 0.04 0.21 0.00 -1.57 0.00 0.00 175.55 174.10 1btj s ALA 97 N -1.48 3.39 0.50 3.71 0.00 -1.01 -1.10 121.76 125.78 1btj s ALA 97 Ca 0.49 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1btj s ALA 97 Cb -0.22 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1btj s ALA 97 CO 0.28 -1.01 0.17 1.33 0.00 0.00 0.00 175.76 176.52 1btj n VAL 98 N 5.05 0.00 -3.49 0.00 0.24 0.03 -0.60 118.33 119.57 1btj n VAL 98 Ca -0.13 -2.20 -0.28 0.00 -2.04 0.00 0.00 64.34 59.69 1btj n VAL 98 Cb 0.49 0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.99 1btj n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1btj s ALA 99 N -2.80 1.68 0.18 2.33 0.00 -1.26 -2.69 121.76 119.20 1btj s ALA 99 Ca 0.13 -2.55 -0.30 0.00 0.00 0.00 0.00 51.96 49.24 1btj s ALA 99 Cb -0.01 -1.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 1btj s ALA 99 CO 0.08 -2.02 1.32 0.08 0.00 0.00 0.00 175.76 175.22 1btj s VAL 100 N 0.04 3.26 0.00 0.00 1.01 -0.74 -1.63 120.40 122.35 1btj s VAL 100 Ca 0.29 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1btj s VAL 100 Cb -0.03 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1btj s VAL 100 CO -0.15 0.14 0.00 1.33 0.00 0.00 0.00 175.10 176.42 1btj n VAL 101 N 2.91 0.00 -4.91 2.92 0.24 -0.37 -1.34 118.33 117.78 1btj n VAL 101 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.05 1btj n VAL 101 Cb 0.43 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.66 1btj n VAL 101 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1btj s LYS 102 N 0.69 2.75 0.00 7.34 2.20 -1.26 -3.02 119.74 128.44 1btj s LYS 102 Ca 0.00 -0.72 -0.37 0.00 -0.36 0.00 0.00 55.97 54.52 1btj s LYS 102 Cb 0.00 -2.42 -0.16 0.00 -1.51 0.00 0.00 37.83 33.75 1btj s LYS 102 CO 0.00 0.48 1.52 1.17 -0.36 0.00 0.00 175.35 178.16 1btj n LYS 103 N 2.73 1.42 -1.12 4.03 0.00 -0.96 -0.32 118.16 123.94 1btj n LYS 103 Ca -0.17 0.52 -0.04 0.00 0.00 0.00 0.00 58.31 58.61 1btj n LYS 103 Cb 0.52 -2.21 -0.02 0.00 0.00 0.00 0.00 35.03 33.32 1btj n LYS 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1btj n ASP 104 N 3.69 -4.39 -0.12 3.14 8.00 -1.26 -4.87 116.55 120.74 1btj n ASP 104 Ca 0.20 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1btj n ASP 104 Cb 0.20 -2.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.04 1btj n ASP 104 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1btj n SER 105 N -0.16 0.20 -2.35 -2.24 3.41 0.56 -4.94 113.62 108.10 1btj n SER 105 Ca -0.04 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1btj n SER 105 Cb 0.29 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1btj n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1btj n GLY 106 N 0.28 0.00 0.00 5.00 0.00 -1.26 -5.01 105.19 104.19 1btj n GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1btj n GLY 106 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1btj n PHE 107 N 1.47 0.00 -4.07 1.61 1.16 -1.26 -5.15 117.46 111.21 1btj n PHE 107 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.42 1btj n PHE 107 Cb 0.22 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.07 1btj n PHE 107 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1btj n GLN 108 N -0.72 1.20 -0.33 3.97 1.13 -1.26 -4.99 117.38 116.38 1btj n GLN 108 Ca 0.00 -1.92 0.11 0.00 -1.94 0.00 0.00 57.00 53.25 1btj n GLN 108 Cb 0.00 0.37 0.28 0.00 0.11 0.00 0.00 30.24 31.01 1btj n GLN 108 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1btj h MET 109 N 0.00 0.71 -2.87 -1.09 4.05 -1.86 -2.00 114.93 111.87 1btj h MET 109 Ca -0.21 -0.04 -0.72 0.00 -0.28 0.00 0.00 59.70 58.45 1btj h MET 109 Cb 0.68 -0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 31.24 1btj h MET 109 CO 0.34 0.47 2.79 0.27 0.23 0.00 0.00 176.91 181.00 1btj n ASN 110 N -4.80 7.75 0.00 1.39 6.94 -1.26 -3.42 115.26 121.87 1btj n ASN 110 Ca 0.21 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.79 1btj n ASN 110 Cb 0.51 -1.44 0.00 0.00 -2.36 0.00 0.00 39.78 36.50 1btj n ASN 110 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1btj n GLN 111 N 2.62 0.00 0.29 -3.83 6.02 -0.75 -4.98 117.38 116.76 1btj n GLN 111 Ca 0.64 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.82 1btj n GLN 111 Cb 0.26 0.00 0.99 0.00 1.02 0.00 0.00 30.24 32.51 1btj n GLN 111 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1btj h LEU 112 N 0.00 0.00 -9.42 1.08 3.38 -1.64 -3.44 115.31 105.28 1btj h LEU 112 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1btj h LEU 112 Cb 0.25 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.04 1btj h LEU 112 CO 0.00 0.00 1.01 -1.14 0.09 0.00 0.00 178.44 178.40 1btj n ARG 113 N -3.33 2.36 0.00 1.13 0.63 -1.26 -1.36 116.66 114.83 1btj n ARG 113 Ca -0.01 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1btj n ARG 113 Cb 0.22 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.43 1btj n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1btj n GLY 114 N 4.04 3.00 3.46 5.14 0.00 0.14 -4.98 105.19 116.00 1btj n GLY 114 Ca 0.19 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1btj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1btj s LYS 115 N 0.00 -1.43 -0.20 1.61 -0.14 -0.46 -1.85 119.74 117.27 1btj s LYS 115 Ca 0.00 0.49 -0.05 0.00 -1.36 0.00 0.00 55.97 55.05 1btj s LYS 115 Cb 0.00 -1.52 -0.03 0.00 -1.68 0.00 0.00 37.83 34.60 1btj s LYS 115 CO 0.00 -3.97 0.01 0.15 -0.76 0.00 0.00 175.35 170.77 1btj s LYS 116 N -4.78 3.66 -0.08 1.68 1.02 -1.26 -0.78 119.74 119.20 1btj s LYS 116 Ca 0.68 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 56.15 1btj s LYS 116 Cb -0.20 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1btj s LYS 116 CO 0.61 0.04 0.04 -1.54 -0.92 0.00 0.00 175.35 173.58 1btj s SER 117 N 0.93 5.50 -0.27 2.83 1.04 -1.15 0.16 113.70 122.74 1btj s SER 117 Ca 0.02 0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 1btj s SER 117 Cb -0.14 -1.60 0.03 0.00 0.10 0.00 0.00 66.02 64.41 1btj s SER 117 CO 0.02 0.37 -0.03 0.00 0.98 0.00 0.00 173.24 174.58 1btj s HIS 119 N 1.30 2.82 -0.06 0.00 3.76 -1.01 -0.54 115.29 121.56 1btj s HIS 119 Ca -0.02 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1btj s HIS 119 Cb -0.18 -1.43 -0.27 0.00 1.11 0.00 0.00 32.58 31.81 1btj s HIS 119 CO -0.03 0.48 0.62 1.79 -0.85 0.00 0.00 174.74 176.75 1btj h THR 120 N 1.63 0.88 -1.15 1.30 1.35 -1.76 -3.41 112.91 111.75 1btj h THR 120 Ca -0.45 -2.56 0.17 0.00 -0.55 0.00 0.00 66.41 63.02 1btj h THR 120 Cb 1.25 2.63 -0.32 0.00 -1.73 0.00 0.00 68.15 69.97 1btj h THR 120 CO 0.61 0.81 0.80 -0.83 -0.25 0.00 0.00 175.52 176.66 1btj s GLY 121 N -5.23 0.31 0.05 5.82 0.00 -1.26 -1.53 107.32 105.48 1btj s GLY 121 Ca -0.15 3.44 -0.31 0.00 0.00 0.00 0.00 44.72 47.71 1btj s GLY 121 CO 0.82 2.02 1.38 -2.27 0.00 0.00 0.00 173.10 175.05 1btj s LEU 122 N 0.17 4.34 0.00 0.66 0.20 -0.25 -1.85 118.68 121.95 1btj s LEU 122 Ca 0.05 2.19 0.00 0.00 0.69 0.00 0.00 54.13 57.06 1btj s LEU 122 Cb -0.05 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 1btj s LEU 122 CO -0.14 -0.67 0.00 0.61 -0.29 0.00 0.00 176.35 175.86 1btj n GLY 123 N 3.56 2.35 3.74 7.98 0.00 -1.26 -4.92 105.19 116.64 1btj n GLY 123 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1btj n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1btj s ARG 124 N -0.15 4.49 0.10 1.61 0.52 -0.77 -4.62 118.95 120.13 1btj s ARG 124 Ca 0.00 1.92 -0.32 0.00 -0.52 0.00 0.00 55.73 56.81 1btj s ARG 124 Cb 0.00 -3.21 -0.13 0.00 0.52 0.00 0.00 34.95 32.13 1btj s ARG 124 CO 0.00 -0.07 1.60 0.77 0.02 0.00 0.00 175.30 177.62 1btj h SER 125 N 4.86 -1.13 0.02 0.23 0.02 -1.93 0.30 113.55 115.92 1btj h SER 125 Ca -0.45 0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.43 1btj h SER 125 Cb 1.21 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1btj h SER 125 CO 0.73 -0.52 -0.61 0.00 -1.14 0.00 0.00 176.83 175.29 1btj h ALA 126 N -0.34 0.61 0.05 3.77 0.00 -1.94 0.42 119.26 121.84 1btj h ALA 126 Ca -0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 1btj h ALA 126 Cb 0.71 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1btj h ALA 126 CO -0.13 0.70 -1.05 0.78 0.00 0.00 0.00 179.25 179.56 1btj h GLY 127 N 1.02 0.34 0.00 0.00 0.00 -1.73 -3.38 103.07 99.31 1btj h GLY 127 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1btj h GLY 127 CO 0.12 0.61 0.00 1.87 0.00 0.00 0.00 176.54 179.13 1btj n TRP 128 N -3.63 -0.04 -0.31 5.60 -0.00 -0.03 -4.57 117.44 114.46 1btj n TRP 128 Ca -0.07 0.01 0.23 0.00 -0.00 0.00 0.00 57.50 57.67 1btj n TRP 128 Cb 0.91 0.05 0.43 0.00 -0.00 0.00 0.00 31.31 32.70 1btj n TRP 128 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1btj n ASN 129 N -2.65 0.14 -0.09 5.87 4.13 -0.45 -1.71 115.26 120.51 1btj n ASN 129 Ca 0.00 1.55 -0.15 0.00 1.68 0.00 0.00 54.58 57.66 1btj n ASN 129 Cb 0.00 -0.67 -0.08 0.00 -1.54 0.00 0.00 39.78 37.49 1btj n ASN 129 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1btj h ILE 130 N 0.00 0.73 -0.90 2.41 2.04 -0.39 -3.16 117.51 118.24 1btj h ILE 130 Ca 0.69 -1.80 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1btj h ILE 130 Cb 1.69 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 39.35 1btj h ILE 130 CO -0.78 0.25 0.59 1.55 0.00 0.00 0.00 178.15 179.76 1btj h PRO 131 N -1.00 1.10 0.12 2.37 0.13 -1.70 -1.72 132.00 131.30 1btj h PRO 131 Ca -0.18 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1btj h PRO 131 Cb 0.95 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1btj h PRO 131 CO -0.11 0.73 -0.06 0.82 -0.23 0.00 0.00 178.00 179.15 1btj h ILE 132 N 1.13 0.96 -0.73 -3.56 1.08 -1.54 -2.80 117.51 112.05 1btj h ILE 132 Ca 0.35 -1.25 0.10 0.00 -0.39 0.00 0.00 64.86 63.68 1btj h ILE 132 Cb -0.00 1.64 -0.12 0.00 -3.07 0.00 0.00 36.82 35.27 1btj h ILE 132 CO -0.10 0.26 -0.45 1.23 -0.69 0.00 0.00 178.15 178.39 1btj h GLY 133 N -0.84 -0.42 0.26 5.37 0.00 -1.46 1.19 103.07 107.16 1btj h GLY 133 Ca -0.02 0.60 0.04 0.00 0.00 0.00 0.00 47.33 47.95 1btj h GLY 133 CO 0.03 -0.13 -0.32 1.41 0.00 0.00 0.00 176.54 177.52 1btj h LEU 134 N -0.14 -0.98 -2.11 3.11 3.38 -1.42 -1.41 115.31 115.73 1btj h LEU 134 Ca 0.21 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1btj h LEU 134 Cb 0.55 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1btj h LEU 134 CO -0.79 -0.38 -0.07 -0.07 0.09 0.00 0.00 178.44 177.22 1btj h LEU 135 N -0.46 0.00 0.00 1.67 3.38 -0.74 -3.38 115.31 115.78 1btj h LEU 135 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1btj h LEU 135 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1btj h LEU 135 CO -0.29 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.31 1btj n TYR 136 N -3.51 0.00 0.44 1.13 9.36 0.39 0.97 117.16 125.93 1btj n TYR 136 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1btj n TYR 136 Cb 0.20 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 1btj n TYR 136 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1btj n ASP 138 N 0.22 0.71 -4.73 0.00 8.00 0.27 -4.99 116.55 116.03 1btj n ASP 138 Ca 0.00 -0.32 -0.41 0.00 0.71 0.00 0.00 54.79 54.76 1btj n ASP 138 Cb 0.09 0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 1btj n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1btj s LEU 139 N -1.72 4.43 0.11 0.64 1.43 0.20 -4.92 118.68 118.86 1btj s LEU 139 Ca 0.00 2.08 -0.31 0.00 -1.03 0.00 0.00 54.13 54.87 1btj s LEU 139 Cb 0.00 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1btj s LEU 139 CO 0.00 -0.34 1.71 -2.16 0.23 0.00 0.00 176.35 175.78 1btj s PRO 140 N 0.22 4.17 0.34 1.29 0.04 -1.26 -4.83 135.00 134.97 1btj s PRO 140 Ca 0.54 2.45 -0.29 0.00 0.04 0.00 0.00 61.00 63.74 1btj s PRO 140 Cb -0.30 -3.48 -0.11 0.00 0.04 0.00 0.00 34.50 30.65 1btj s PRO 140 CO 0.33 -0.75 1.47 -1.21 0.04 0.00 0.00 177.00 176.87 1btj s GLU 141 N 2.31 4.18 0.04 4.56 8.01 -1.26 -3.75 118.70 132.79 1btj s GLU 141 Ca 0.76 2.47 -0.30 0.00 0.01 0.00 0.00 54.97 57.91 1btj s GLU 141 Cb -0.43 -3.02 -0.08 0.00 -4.31 0.00 0.00 34.13 26.29 1btj s GLU 141 CO 0.33 -0.47 1.69 -1.25 0.01 0.00 0.00 175.26 175.57 1btj s PRO 142 N -1.51 4.19 -0.08 0.39 0.04 -1.26 -5.10 135.00 131.67 1btj s PRO 142 Ca 0.55 2.33 0.12 0.00 0.04 0.00 0.00 61.00 64.04 1btj s PRO 142 Cb -0.45 -3.76 0.48 0.00 0.04 0.00 0.00 34.50 30.81 1btj s PRO 142 CO 0.56 -0.79 1.33 0.54 0.04 0.00 0.00 177.00 178.68 1btj n ARG 143 N 6.20 2.82 -3.88 4.56 1.74 -1.25 -4.11 116.66 122.75 1btj n ARG 143 Ca 0.17 -1.87 -0.24 0.00 -0.77 0.00 0.00 57.85 55.14 1btj n ARG 143 Cb 0.41 -1.69 -0.17 0.00 -1.02 0.00 0.00 32.46 29.99 1btj n ARG 143 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1btj s LYS 144 N -1.76 0.92 0.96 5.56 -0.14 -1.26 -3.34 119.74 120.68 1btj s LYS 144 Ca 0.34 -0.03 -0.14 0.00 -1.36 0.00 0.00 55.97 54.77 1btj s LYS 144 Cb 0.22 -1.14 0.17 0.00 -1.68 0.00 0.00 37.83 35.40 1btj s LYS 144 CO 0.16 -0.26 1.17 -1.25 -0.76 0.00 0.00 175.35 174.41 1btj s PRO 145 N 1.73 0.76 0.15 -1.68 0.04 -1.26 -4.93 135.00 129.81 1btj s PRO 145 Ca 0.02 0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.10 1btj s PRO 145 Cb -0.13 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1btj s PRO 145 CO -0.05 -2.42 1.43 1.25 0.04 0.00 0.00 177.00 177.25 1btj h LEU 146 N -1.65 0.81 -2.79 -3.56 5.85 -1.92 -2.75 115.31 109.30 1btj h LEU 146 Ca -0.48 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 57.78 1btj h LEU 146 Cb 1.31 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1btj h LEU 146 CO 0.54 1.22 -0.00 -0.33 -0.34 0.00 0.00 178.44 179.53 1btj h GLU 147 N 0.54 0.00 0.05 1.25 5.08 -1.98 -1.84 114.58 117.69 1btj h GLU 147 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1btj h GLU 147 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1btj h GLU 147 CO 0.12 0.00 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.89 1btj h LYS 148 N 0.00 -0.07 -0.95 2.33 3.64 -1.86 -3.12 116.57 116.54 1btj h LYS 148 Ca -0.00 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.62 1btj h LYS 148 Cb 0.02 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1btj h LYS 148 CO 0.00 -0.04 0.64 0.00 -2.27 0.00 0.00 179.45 177.77 1btj h ALA 149 N -1.80 2.38 0.00 5.00 0.00 -1.33 0.71 119.26 124.22 1btj h ALA 149 Ca -0.01 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1btj h ALA 149 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1btj h ALA 149 CO 0.01 -0.69 -0.93 -0.39 0.00 0.00 0.00 179.25 177.24 1btj h VAL 150 N 0.31 1.64 0.00 0.00 -1.51 -1.50 -2.76 116.25 112.42 1btj h VAL 150 Ca 0.50 -3.24 -0.08 0.00 -1.23 0.00 0.00 66.70 62.66 1btj h VAL 150 Cb 1.41 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 33.32 1btj h VAL 150 CO -0.17 0.92 -0.37 0.00 -1.23 0.00 0.00 177.57 176.72 1btj h ALA 151 N 1.07 1.13 -0.70 5.19 0.00 -0.84 -2.75 119.26 122.36 1btj h ALA 151 Ca -0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 54.91 54.21 1btj h ALA 151 Cb 1.68 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 19.21 1btj h ALA 151 CO 0.12 0.46 0.45 0.09 0.00 0.00 0.00 179.25 180.37 1btj n ASN 152 N -3.73 3.58 0.00 0.00 3.02 -0.51 -4.33 115.26 113.29 1btj n ASN 152 Ca -0.01 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1btj n ASN 152 Cb 0.46 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1btj n ASN 152 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1btj n PHE 153 N -0.62 0.00 -4.21 3.10 -0.00 -1.04 -4.57 117.46 110.13 1btj n PHE 153 Ca 0.41 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.52 1btj n PHE 153 Cb 1.32 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 40.72 1btj n PHE 153 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1btj s PHE 154 N -1.08 3.26 0.00 -5.13 0.08 -1.20 0.26 117.98 114.16 1btj s PHE 154 Ca 0.00 0.23 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 1btj s PHE 154 Cb 0.00 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1btj s PHE 154 CO 0.00 0.53 1.58 -1.13 -0.10 0.00 0.00 175.22 176.11 1btj n SER 155 N 1.73 3.45 0.00 1.36 3.41 0.04 -4.73 113.62 118.88 1btj n SER 155 Ca -0.17 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 1btj n SER 155 Cb 0.53 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1btj n SER 155 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1btj n GLY 156 N 1.91 3.21 1.02 5.00 0.00 -1.26 -4.87 105.19 110.19 1btj n GLY 156 Ca 0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 1btj n GLY 156 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1btj n SER 157 N 0.00 -0.62 -3.66 1.61 7.64 -1.22 -2.95 113.62 114.43 1btj n SER 157 Ca 0.00 -1.42 -0.26 0.00 1.01 0.00 0.00 58.87 58.20 1btj n SER 157 Cb 0.00 1.03 -0.17 0.00 -1.01 0.00 0.00 64.21 64.06 1btj n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1btj s ALA 159 N 2.04 2.56 0.32 0.00 0.00 -0.45 -2.41 121.76 123.82 1btj s ALA 159 Ca 0.01 -2.87 -0.28 0.00 0.00 0.00 0.00 51.96 48.82 1btj s ALA 159 Cb -0.16 -1.97 -0.13 0.00 0.00 0.00 0.00 23.12 20.86 1btj s ALA 159 CO -0.08 -2.05 1.16 -2.30 0.00 0.00 0.00 175.76 172.49 1btj n PRO 160 N 3.26 1.76 -1.91 0.00 -0.02 -1.26 -1.72 135.00 135.12 1btj n PRO 160 Ca 0.10 0.62 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1btj n PRO 160 Cb 0.35 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 1btj n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1btj s ALA 162 N -2.35 3.74 -1.18 0.00 0.00 -0.70 -4.72 121.76 116.54 1btj s ALA 162 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 1btj s ALA 162 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1btj s ALA 162 CO 0.00 0.25 2.04 -3.47 0.00 0.00 0.00 175.76 174.58 1btj n ASP 163 N -1.27 3.46 0.00 0.00 -0.08 -1.26 -4.69 116.55 112.71 1btj n ASP 163 Ca -0.08 -2.78 0.02 0.00 -1.51 0.00 0.00 54.79 50.43 1btj n ASP 163 Cb 0.57 -1.49 0.10 0.00 2.34 0.00 0.00 41.12 42.65 1btj n ASP 163 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1btj n GLY 164 N 4.54 -0.37 0.07 0.27 0.00 -1.24 0.72 105.19 109.18 1btj n GLY 164 Ca 0.50 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 1btj n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1btj h THR 165 N 0.00 0.28 0.00 2.61 2.02 -1.94 -1.90 112.91 113.98 1btj h THR 165 Ca 0.00 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1btj h THR 165 Cb 0.03 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1btj h THR 165 CO 0.00 0.10 -0.02 0.47 0.37 0.00 0.00 175.52 176.44 1btj n ASP 166 N -4.63 0.10 -2.92 4.18 8.00 -1.06 -4.01 116.55 116.21 1btj n ASP 166 Ca -0.09 0.48 -0.14 0.00 0.71 0.00 0.00 54.79 55.76 1btj n ASP 166 Cb 0.27 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.88 1btj n ASP 166 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1btj n PHE 167 N -1.58 -2.06 0.27 1.24 3.72 0.22 -4.97 117.46 114.30 1btj n PHE 167 Ca 0.07 -2.54 0.11 0.00 -0.05 0.00 0.00 57.45 55.04 1btj n PHE 167 Cb 0.35 0.83 0.74 0.00 -0.94 0.00 0.00 39.48 40.46 1btj n PHE 167 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1btj h PRO 168 N 3.72 0.00 -0.92 -1.08 0.13 -1.45 -2.88 132.00 129.52 1btj h PRO 168 Ca -0.05 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.23 1btj h PRO 168 Cb 0.99 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.97 1btj h PRO 168 CO 0.35 0.08 -0.36 1.96 -0.23 0.00 0.00 178.00 179.79 1btj h GLN 169 N 0.00 -0.03 0.00 0.86 7.50 -1.91 0.20 115.11 121.73 1btj h GLN 169 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1btj h GLN 169 Cb 0.18 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.71 1btj h GLN 169 CO 0.01 -0.02 0.04 1.28 -1.50 0.00 0.00 178.83 178.64 1btj n LEU 170 N -5.48 0.00 -0.02 1.46 4.32 -1.09 -0.63 117.00 115.56 1btj n LEU 170 Ca 0.10 0.30 0.03 0.00 -0.02 0.00 0.00 56.01 56.41 1btj n LEU 170 Cb 0.40 -0.30 0.04 0.00 -1.62 0.00 0.00 43.42 41.95 1btj n LEU 170 CO -0.11 -0.30 0.52 0.00 -1.22 0.00 0.00 177.39 176.29 1btj h GLN 172 N 0.00 -0.33 0.00 0.00 4.15 0.02 0.32 115.11 119.28 1btj h GLN 172 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1btj h GLN 172 Cb 0.67 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1btj h GLN 172 CO 0.00 -0.22 0.00 1.28 -1.93 0.00 0.00 178.83 177.96 1btj n LEU 173 N -5.41 0.26 -2.85 -2.39 4.32 -0.26 -4.07 117.00 106.61 1btj n LEU 173 Ca -0.02 0.55 -0.08 0.00 -0.02 0.00 0.00 56.01 56.45 1btj n LEU 173 Cb 0.32 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1btj n LEU 173 CO 0.13 -0.29 0.07 0.00 -1.22 0.00 0.00 177.39 176.08 1btj n PRO 175 N 2.70 1.34 0.00 0.00 -0.02 0.10 -2.62 135.00 136.49 1btj n PRO 175 Ca 0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1btj n PRO 175 Cb 0.56 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1btj n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1btj n GLY 176 N 1.36 1.93 4.28 -1.23 0.00 -1.26 -4.66 105.19 105.62 1btj n GLY 176 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1btj n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btj n GLY 178 N -1.12 0.98 2.12 0.00 0.00 -1.26 -0.99 105.19 104.92 1btj n GLY 178 Ca 0.10 0.89 -0.18 0.00 0.00 0.00 0.00 46.02 46.82 1btj n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btj s SER 180 N 0.91 -0.21 0.39 0.00 1.04 -1.26 -4.94 113.70 109.63 1btj s SER 180 Ca 0.48 -0.66 0.28 0.00 0.48 0.00 0.00 55.95 56.53 1btj s SER 180 Cb 0.29 0.63 1.35 0.00 0.10 0.00 0.00 66.02 68.40 1btj s SER 180 CO -0.09 -1.18 1.84 0.71 0.98 0.00 0.00 173.24 175.49 1btj h THR 181 N 2.14 0.00 -0.61 2.02 1.35 -1.91 -0.90 112.91 115.01 1btj h THR 181 Ca -0.25 -0.13 0.09 0.00 -0.55 0.00 0.00 66.41 65.57 1btj h THR 181 Cb 1.25 0.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 1btj h THR 181 CO 0.32 0.00 0.41 -0.07 -0.25 0.00 0.00 175.52 175.93 1btj h LEU 182 N 0.00 0.43 -8.95 3.87 3.38 -1.95 -3.33 115.31 108.76 1btj h LEU 182 Ca 0.00 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 1btj h LEU 182 Cb 0.17 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1btj h LEU 182 CO 0.00 0.27 0.99 0.21 0.09 0.00 0.00 178.44 180.00 1btj s ASN 183 N -6.26 6.63 0.44 -0.43 3.84 -0.34 -4.87 114.94 113.95 1btj s ASN 183 Ca -0.08 1.21 0.31 0.00 0.21 0.00 0.00 52.86 54.50 1btj s ASN 183 Cb 0.19 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.81 1btj s ASN 183 CO 0.75 -1.12 1.92 0.06 -2.79 0.00 0.00 177.10 175.92 1btj h GLN 184 N 9.50 0.00 -0.12 0.43 3.07 -1.85 -2.23 115.11 123.90 1btj h GLN 184 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 1btj h GLN 184 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1btj h GLN 184 CO 1.03 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.61 1btj n TYR 185 N -2.65 0.14 -2.26 0.06 4.02 -1.26 -4.31 117.16 110.89 1btj n TYR 185 Ca -0.00 -0.07 -0.36 0.00 -0.01 0.00 0.00 57.90 57.46 1btj n TYR 185 Cb 0.17 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1btj n TYR 185 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1btj s PHE 186 N -1.86 2.74 0.02 -0.72 5.36 -0.84 -1.42 117.98 121.26 1btj s PHE 186 Ca 0.33 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.84 1btj s PHE 186 Cb 0.21 -3.33 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 1btj s PHE 186 CO 0.31 -1.56 0.00 0.41 -1.46 0.00 0.00 175.22 172.92 1btj n GLY 187 N 0.27 -1.72 0.34 13.12 0.00 -0.58 -2.67 105.19 113.95 1btj n GLY 187 Ca 0.10 -1.28 -0.00 0.00 0.00 0.00 0.00 46.02 44.84 1btj n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1btj h TYR 188 N -0.10 0.93 0.00 1.61 0.05 -1.90 0.78 116.97 118.34 1btj h TYR 188 Ca 0.00 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 1btj h TYR 188 Cb 0.10 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1btj h TYR 188 CO 0.00 0.63 -1.69 0.43 -1.05 0.00 0.00 178.16 176.48 1btj n SER 189 N -4.38 0.49 -0.04 3.88 7.64 -1.26 -3.47 113.62 116.47 1btj n SER 189 Ca 0.07 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 1btj n SER 189 Cb 0.08 0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 64.00 1btj n SER 189 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1btj h GLY 190 N 3.88 0.28 1.98 0.23 0.00 -1.35 -0.92 103.07 107.16 1btj h GLY 190 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1btj h GLY 190 CO 0.03 0.31 0.01 0.00 0.00 0.00 0.00 176.54 176.89 1btj h ALA 191 N 0.48 1.98 -0.15 3.60 0.00 0.36 0.81 119.26 126.34 1btj h ALA 191 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1btj h ALA 191 Cb 0.78 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1btj h ALA 191 CO 0.04 0.01 -0.58 0.35 0.00 0.00 0.00 179.25 179.07 1btj h PHE 192 N 0.03 0.88 -0.51 0.00 3.57 -1.53 -3.22 116.94 116.17 1btj h PHE 192 Ca 0.01 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.07 1btj h PHE 192 Cb -0.00 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1btj h PHE 192 CO -0.00 1.17 0.04 -0.22 -2.23 0.00 0.00 178.31 177.07 1btj h LYS 193 N 0.34 0.82 -1.02 1.11 3.64 0.42 -0.98 116.57 120.90 1btj h LYS 193 Ca -0.03 -0.21 0.28 0.00 -1.27 0.00 0.00 60.65 59.42 1btj h LYS 193 Cb 1.21 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1btj h LYS 193 CO 0.12 0.80 0.71 0.00 -2.27 0.00 0.00 179.45 178.81 1btj h LEU 195 N 0.14 0.23 -0.54 0.00 5.85 -1.24 0.26 115.31 120.01 1btj h LEU 195 Ca 0.51 -0.89 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1btj h LEU 195 Cb 1.77 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.64 1btj h LEU 195 CO -0.10 1.32 -0.00 0.50 -0.34 0.00 0.00 178.44 179.82 1btj h LYS 196 N -0.66 0.11 0.00 1.25 3.64 -0.33 0.23 116.57 120.82 1btj h LYS 196 Ca -0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1btj h LYS 196 Cb 1.40 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1btj h LYS 196 CO 0.03 0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 177.04 1btj n ASP 197 N -5.25 0.64 0.00 4.20 8.00 -0.19 -4.84 116.55 119.11 1btj n ASP 197 Ca 0.07 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.21 1btj n ASP 197 Cb 0.30 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1btj n ASP 197 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1btj n GLY 198 N 0.12 0.42 0.28 0.44 0.00 0.80 -4.88 105.19 102.38 1btj n GLY 198 Ca 0.03 -0.75 0.18 0.00 0.00 0.00 0.00 46.02 45.47 1btj n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btj h ALA 199 N 0.00 1.00 -4.29 4.61 0.00 -0.72 -3.44 119.26 116.41 1btj h ALA 199 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1btj h ALA 199 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1btj h ALA 199 CO 0.00 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.36 1btj n GLY 200 N -0.38 3.39 0.06 0.00 0.00 -0.66 -4.86 105.19 102.73 1btj n GLY 200 Ca -0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 1btj n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1btj n ASP 201 N -1.99 2.98 -4.10 1.61 8.00 0.43 -4.76 116.55 118.71 1btj n ASP 201 Ca 0.02 -0.05 -0.18 0.00 0.71 0.00 0.00 54.79 55.28 1btj n ASP 201 Cb 0.40 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 1btj n ASP 201 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1btj s VAL 202 N -2.24 0.92 -0.16 2.53 0.11 -0.93 -4.37 120.40 116.25 1btj s VAL 202 Ca -0.14 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1btj s VAL 202 Cb 0.04 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1btj s VAL 202 CO 0.30 -0.04 -0.06 0.00 -3.33 0.00 0.00 175.10 171.97 1btj s ALA 203 N -0.82 1.54 -0.49 1.54 0.00 -0.45 -0.05 121.76 123.04 1btj s ALA 203 Ca -0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1btj s ALA 203 Cb -0.07 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.96 1btj s ALA 203 CO 0.01 -0.74 0.76 -0.06 0.00 0.00 0.00 175.76 175.73 1btj s PHE 204 N 1.61 2.97 0.18 0.00 0.08 0.29 -1.79 117.98 121.33 1btj s PHE 204 Ca 0.01 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1btj s PHE 204 Cb -0.15 -3.67 -0.02 0.00 -0.57 0.00 0.00 43.02 38.61 1btj s PHE 204 CO -0.08 -1.07 0.15 1.33 -0.10 0.00 0.00 175.22 175.45 1btj n VAL 205 N 5.98 0.00 -3.28 -0.44 0.24 -1.10 -4.23 118.33 115.51 1btj n VAL 205 Ca -0.01 -1.33 -0.29 0.00 -2.04 0.00 0.00 64.34 60.68 1btj n VAL 205 Cb 0.47 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 1btj n VAL 205 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1btj s LYS 206 N -2.75 3.65 0.19 7.34 -2.85 -1.26 -0.79 119.74 123.27 1btj s LYS 206 Ca 0.21 0.06 -0.22 0.00 -1.00 0.00 0.00 55.97 55.03 1btj s LYS 206 Cb 0.01 -2.61 0.11 0.00 -2.06 0.00 0.00 37.83 33.28 1btj s LYS 206 CO 0.15 0.18 1.58 1.12 0.10 0.00 0.00 175.35 178.48 1btj h HIS 207 N 1.62 -1.01 0.00 1.78 2.07 -1.47 -2.23 115.15 115.92 1btj h HIS 207 Ca -0.48 0.08 -0.00 0.00 -2.85 0.00 0.00 60.37 57.12 1btj h HIS 207 Cb 1.19 0.53 -0.00 0.00 2.57 0.00 0.00 27.41 31.70 1btj h HIS 207 CO 0.58 -0.39 -0.01 0.66 -3.07 0.00 0.00 177.93 175.70 1btj h SER 208 N -0.17 0.00 -0.93 3.10 4.64 -1.96 -3.32 113.55 114.92 1btj h SER 208 Ca 0.23 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.64 1btj h SER 208 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.52 1btj h SER 208 CO -0.70 0.01 -0.55 0.74 -0.87 0.00 0.00 176.83 175.46 1btj h THR 209 N 0.00 0.00 -0.75 2.95 2.02 -1.79 0.70 112.91 116.05 1btj h THR 209 Ca -0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1btj h THR 209 Cb 0.17 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 1btj h THR 209 CO 0.00 0.00 0.49 -0.29 0.37 0.00 0.00 175.52 176.10 1btj h ILE 210 N -0.05 0.96 -0.18 3.11 2.10 -1.79 0.73 117.51 122.40 1btj h ILE 210 Ca 0.18 -0.24 -0.12 0.00 1.08 0.00 0.00 64.86 65.77 1btj h ILE 210 Cb 0.46 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 36.38 1btj h ILE 210 CO -0.90 0.13 -0.39 -0.26 -1.08 0.00 0.00 178.15 175.64 1btj h PHE 211 N 0.70 0.46 0.00 2.19 0.04 -1.18 0.26 116.94 119.41 1btj h PHE 211 Ca 0.34 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1btj h PHE 211 Cb 0.41 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1btj h PHE 211 CO -0.00 0.73 0.00 0.93 -0.60 0.00 0.00 178.31 179.37 1btj h GLU 212 N 0.33 0.00 -0.01 1.51 5.08 0.98 -3.34 114.58 119.14 1btj h GLU 212 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1btj h GLU 212 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1btj h GLU 212 CO 0.07 0.00 -0.41 0.09 -1.00 0.00 0.00 179.01 177.76 1btj n ASN 213 N -2.76 1.04 -3.74 1.42 3.02 -0.00 -4.91 115.26 109.32 1btj n ASN 213 Ca 0.04 -1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 53.40 1btj n ASN 213 Cb 0.48 0.71 -0.17 0.00 -0.61 0.00 0.00 39.78 40.19 1btj n ASN 213 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1btj s LEU 214 N -2.16 0.72 0.00 3.41 1.43 0.00 -5.04 118.68 117.04 1btj s LEU 214 Ca 0.08 0.03 0.25 0.00 -1.03 0.00 0.00 54.13 53.47 1btj s LEU 214 Cb 0.10 -0.15 0.56 0.00 0.03 0.00 0.00 46.19 46.73 1btj s LEU 214 CO 0.41 -0.17 1.44 0.00 0.23 0.00 0.00 176.35 178.26 1btj n ALA 215 N 4.65 3.33 -3.80 4.21 0.00 -1.26 -4.52 120.51 123.11 1btj n ALA 215 Ca -0.17 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 1btj n ALA 215 Cb 0.50 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 1btj n ALA 215 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1btj s ASN 216 N -2.63 2.77 0.27 0.00 0.01 -1.26 -5.00 114.94 109.11 1btj s ASN 216 Ca 0.20 -0.52 -0.05 0.00 -0.71 0.00 0.00 52.86 51.78 1btj s ASN 216 Cb 0.19 -1.26 0.51 0.00 0.41 0.00 0.00 41.25 41.10 1btj s ASN 216 CO 0.58 0.01 1.49 1.17 -1.51 0.00 0.00 177.10 178.85 1btj n LYS 217 N 4.35 -0.08 -0.28 -0.60 0.00 -1.26 0.32 118.16 120.61 1btj n LYS 217 Ca -0.19 1.47 0.33 0.00 0.00 0.00 0.00 58.31 59.92 1btj n LYS 217 Cb 0.51 -2.23 0.73 0.00 0.00 0.00 0.00 35.03 34.04 1btj n LYS 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1btj h ALA 218 N 1.90 2.99 0.08 3.14 0.00 -1.98 0.99 119.26 126.39 1btj h ALA 218 Ca 0.49 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 55.02 1btj h ALA 218 Cb 0.82 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1btj h ALA 218 CO -0.96 -1.31 -1.94 -0.25 0.00 0.00 0.00 179.25 174.79 1btj n ASP 219 N -4.23 2.06 0.30 0.00 8.00 0.15 -3.79 116.55 119.04 1btj n ASP 219 Ca 0.24 0.22 0.19 0.00 0.71 0.00 0.00 54.79 56.14 1btj n ASP 219 Cb 1.15 -0.83 0.95 0.00 -0.02 0.00 0.00 41.12 42.36 1btj n ASP 219 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1btj h ARG 220 N -0.18 0.00 0.00 -1.24 3.08 -0.45 0.28 114.38 115.88 1btj h ARG 220 Ca -0.44 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1btj h ARG 220 Cb 1.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 1btj h ARG 220 CO -0.01 0.02 -0.17 0.22 -1.07 0.00 0.00 179.97 178.96 1btj h ASP 221 N 0.00 0.00 0.18 7.04 3.58 0.83 -2.22 116.42 125.82 1btj h ASP 221 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1btj h ASP 221 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1btj h ASP 221 CO 0.00 0.17 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 1btj n GLN 222 N -3.50 0.71 -4.40 0.28 3.00 0.99 -4.82 117.38 109.64 1btj n GLN 222 Ca -0.01 0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 1btj n GLN 222 Cb 0.34 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.97 1btj n GLN 222 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1btj s TYR 223 N -2.20 1.95 0.30 1.08 1.51 -0.84 -2.26 117.35 116.90 1btj s TYR 223 Ca 0.36 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1btj s TYR 223 Cb 0.19 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1btj s TYR 223 CO 0.36 0.49 0.17 -1.21 -1.11 0.00 0.00 175.55 174.24 1btj s GLU 224 N -3.60 1.57 0.04 -0.62 2.02 -1.17 -4.00 118.70 112.95 1btj s GLU 224 Ca 0.26 -1.89 0.09 0.00 0.02 0.00 0.00 54.97 53.44 1btj s GLU 224 Cb -0.02 -0.00 -0.03 0.00 0.10 0.00 0.00 34.13 34.18 1btj s GLU 224 CO 0.10 -0.47 -0.25 -0.51 0.02 0.00 0.00 175.26 174.16 1btj s LEU 225 N -3.35 2.17 -0.61 1.80 1.02 -0.18 -1.23 118.68 118.30 1btj s LEU 225 Ca 0.37 -0.57 -0.23 0.00 0.02 0.00 0.00 54.13 53.71 1btj s LEU 225 Cb 0.05 -1.20 0.05 0.00 0.02 0.00 0.00 46.19 45.11 1btj s LEU 225 CO 0.18 0.23 0.97 -0.76 0.02 0.00 0.00 176.35 176.99 1btj s LEU 226 N -1.21 4.18 0.64 1.79 1.43 -0.65 -2.40 118.68 122.47 1btj s LEU 226 Ca 0.11 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1btj s LEU 226 Cb -0.10 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 1btj s LEU 226 CO 0.02 -1.36 1.17 0.00 0.23 0.00 0.00 176.35 176.40 1btj h LEU 228 N 0.37 0.00 -3.93 0.00 3.38 -1.83 -3.24 115.31 110.06 1btj h LEU 228 Ca -0.49 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.89 1btj h LEU 228 Cb 1.28 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.78 1btj h LEU 228 CO 0.54 0.00 0.76 -0.90 0.09 0.00 0.00 178.44 178.93 1btj n ASP 229 N -2.60 7.38 -4.05 -0.43 5.75 -1.26 -4.87 116.55 116.46 1btj n ASP 229 Ca 0.01 -3.60 -0.31 0.00 -0.01 0.00 0.00 54.79 50.87 1btj n ASP 229 Cb 0.21 -1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 39.28 1btj n ASP 229 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1btj n ASN 230 N -0.55 -2.85 -4.23 -1.12 3.02 -1.22 -4.96 115.26 103.33 1btj n ASN 230 Ca 0.54 -0.94 -0.13 0.00 -0.03 0.00 0.00 54.58 54.02 1btj n ASN 230 Cb 0.62 -3.19 -0.10 0.00 -0.61 0.00 0.00 39.78 36.50 1btj n ASN 230 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1btj s THR 231 N -3.48 0.62 -0.07 3.41 2.01 -1.26 -4.89 115.64 111.99 1btj s THR 231 Ca 0.50 -1.97 0.00 0.00 0.31 0.00 0.00 61.69 60.53 1btj s THR 231 Cb -0.27 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1btj s THR 231 CO 0.89 -0.46 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.18 1btj s ARG 232 N -3.93 0.98 0.34 4.92 0.52 -1.26 -0.61 118.95 119.91 1btj s ARG 232 Ca 0.24 -0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.45 1btj s ARG 232 Cb 0.06 -1.08 -0.06 0.00 0.52 0.00 0.00 34.95 34.39 1btj s ARG 232 CO 0.04 -0.18 -0.05 0.15 0.02 0.00 0.00 175.30 175.28 1btj s LYS 233 N 1.39 1.93 0.89 3.54 1.02 -1.01 -4.90 119.74 122.60 1btj s LYS 233 Ca -0.03 -1.86 -0.10 0.00 0.02 0.00 0.00 55.97 54.00 1btj s LYS 233 Cb -0.13 -1.80 0.13 0.00 -0.52 0.00 0.00 37.83 35.51 1btj s LYS 233 CO -0.03 0.14 1.13 -2.14 -0.92 0.00 0.00 175.35 173.53 1btj s PRO 234 N -3.65 1.21 0.59 -1.68 0.02 -1.26 -1.00 135.00 129.22 1btj s PRO 234 Ca 0.33 1.40 0.28 0.00 0.02 0.00 0.00 61.00 63.04 1btj s PRO 234 Cb 0.01 -1.76 1.60 0.00 0.02 0.00 0.00 34.50 34.37 1btj s PRO 234 CO 0.18 -2.45 2.04 0.28 -0.33 0.00 0.00 177.00 176.72 1btj h VAL 235 N -1.73 0.46 0.00 3.83 2.07 -1.84 -0.85 116.25 118.20 1btj h VAL 235 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1btj h VAL 235 Cb 1.26 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1btj h VAL 235 CO 0.45 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.51 1btj n ASP 236 N -3.80 0.33 -1.92 0.57 9.92 -1.26 -3.69 116.55 116.71 1btj n ASP 236 Ca 0.03 0.56 -0.22 0.00 -0.53 0.00 0.00 54.79 54.63 1btj n ASP 236 Cb 0.42 -0.64 0.12 0.00 -0.64 0.00 0.00 41.12 40.38 1btj n ASP 236 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1btj n GLU 237 N -1.84 2.56 -0.10 -1.24 1.02 -0.32 -4.71 120.64 116.01 1btj n GLU 237 Ca 0.05 -3.40 0.08 0.00 -0.02 0.00 0.00 57.16 53.86 1btj n GLU 237 Cb 0.28 -2.13 0.43 0.00 -0.02 0.00 0.00 31.44 30.00 1btj n GLU 237 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1btj h TYR 238 N 1.57 0.57 0.00 -0.32 -0.00 -1.73 -1.31 116.97 115.75 1btj h TYR 238 Ca 0.45 0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 59.18 1btj h TYR 238 Cb 1.58 -0.19 -0.00 0.00 -0.00 0.00 0.00 36.73 38.12 1btj h TYR 238 CO 1.23 0.30 -0.08 0.87 -0.00 0.00 0.00 178.16 180.48 1btj h LYS 239 N 0.56 0.00 -0.39 0.10 1.57 -1.93 0.40 116.57 116.88 1btj h LYS 239 Ca 0.26 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.79 1btj h LYS 239 Cb 0.29 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.44 1btj h LYS 239 CO -0.08 0.08 -0.32 -0.40 -0.57 0.00 0.00 179.45 178.17 1btj n ASP 240 N -4.22 3.15 -2.66 0.86 5.75 -0.58 -4.71 116.55 114.15 1btj n ASP 240 Ca -0.03 -3.82 -0.03 0.00 -0.01 0.00 0.00 54.79 50.90 1btj n ASP 240 Cb 0.16 -0.56 0.04 0.00 -1.03 0.00 0.00 41.12 39.74 1btj n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1btj s HIS 242 N 0.93 -0.22 0.41 0.00 -3.43 -0.97 -4.19 115.29 107.80 1btj s HIS 242 Ca 0.23 0.47 0.22 0.00 -0.80 0.00 0.00 55.06 55.18 1btj s HIS 242 Cb 0.15 0.09 1.22 0.00 -1.43 0.00 0.00 32.58 32.61 1btj s HIS 242 CO -0.11 -0.28 2.01 -0.07 -2.00 0.00 0.00 174.74 174.29 1btj h LEU 243 N 4.71 0.00 -7.16 5.38 3.38 -1.13 -3.42 115.31 117.07 1btj h LEU 243 Ca -0.28 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.01 1btj h LEU 243 Cb 1.18 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 1btj h LEU 243 CO 0.36 0.17 0.85 0.00 0.09 0.00 0.00 178.44 179.91 1btj s ALA 244 N -4.28 -2.25 -0.11 1.53 0.00 -1.16 -4.73 121.76 110.77 1btj s ALA 244 Ca -0.03 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 1btj s ALA 244 Cb 0.14 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1btj s ALA 244 CO 0.63 -0.98 -0.08 1.14 0.00 0.00 0.00 175.76 176.47 1btj s GLN 245 N -2.37 3.20 -0.10 0.00 -2.07 -1.26 -2.41 119.66 114.66 1btj s GLN 245 Ca 0.14 -0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 53.08 1btj s GLN 245 Cb 0.04 -2.69 0.03 0.00 -1.09 0.00 0.00 33.01 29.30 1btj s GLN 245 CO -0.04 0.40 -0.01 0.08 -1.32 0.00 0.00 175.29 174.40 1btj s VAL 246 N -0.11 0.56 0.12 3.63 1.01 -0.92 -4.70 120.40 119.99 1btj s VAL 246 Ca 0.01 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1btj s VAL 246 Cb -0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 1btj s VAL 246 CO 0.03 0.22 0.89 -2.16 0.00 0.00 0.00 175.10 174.08 1btj s PRO 247 N 1.89 4.66 0.00 2.72 0.05 -1.26 0.79 135.00 143.85 1btj s PRO 247 Ca 0.04 1.34 0.00 0.00 0.05 0.00 0.00 61.00 62.43 1btj s PRO 247 Cb -0.13 -3.35 0.00 0.00 0.05 0.00 0.00 34.50 31.07 1btj s PRO 247 CO -0.06 0.31 0.46 -1.13 0.05 0.00 0.00 177.00 176.62 1btj n SER 248 N 2.49 0.00 -4.34 6.66 3.41 0.12 -4.00 113.62 117.97 1btj n SER 248 Ca -0.00 0.46 -0.29 0.00 -0.26 0.00 0.00 58.87 58.78 1btj n SER 248 Cb 0.49 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1btj n SER 248 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1btj s HIS 249 N -0.97 2.22 -0.07 7.33 2.46 -1.26 -3.34 115.29 121.66 1btj s HIS 249 Ca 0.00 -0.40 -0.03 0.00 0.47 0.00 0.00 55.06 55.10 1btj s HIS 249 Cb 0.00 -1.29 0.04 0.00 -0.13 0.00 0.00 32.58 31.20 1btj s HIS 249 CO 0.00 0.17 0.14 0.99 -2.47 0.00 0.00 174.74 173.58 1btj s THR 250 N -0.88 -0.08 0.12 0.89 2.01 -0.06 -2.73 115.64 114.92 1btj s THR 250 Ca 0.11 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1btj s THR 250 Cb -0.10 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 1btj s THR 250 CO 0.03 0.08 0.96 -0.69 -0.69 0.00 0.00 174.62 174.31 1btj s VAL 251 N 1.31 4.46 0.30 3.82 1.01 0.77 0.03 120.40 132.10 1btj s VAL 251 Ca -0.08 2.07 0.11 0.00 0.00 0.00 0.00 61.98 64.09 1btj s VAL 251 Cb -0.12 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1btj s VAL 251 CO -0.06 0.33 -0.17 0.68 0.00 0.00 0.00 175.10 175.89 1btj s VAL 252 N -0.10 2.40 0.30 2.92 -7.23 0.43 -2.02 120.40 117.09 1btj s VAL 252 Ca 0.46 -2.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1btj s VAL 252 Cb -0.24 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1btj s VAL 252 CO 0.30 -0.34 0.32 0.00 -0.31 0.00 0.00 175.10 175.07 1btj s ALA 253 N -2.55 1.23 0.74 1.32 0.00 -0.91 -3.45 121.76 118.14 1btj s ALA 253 Ca 0.31 -1.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1btj s ALA 253 Cb -0.03 1.33 0.04 0.00 0.00 0.00 0.00 23.12 24.46 1btj s ALA 253 CO 0.15 -0.70 1.10 1.03 0.00 0.00 0.00 175.76 177.35 1btj s ARG 254 N -3.51 2.40 0.00 0.00 0.52 -1.26 -1.39 118.95 115.71 1btj s ARG 254 Ca 0.36 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 1btj s ARG 254 Cb 0.02 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1btj s ARG 254 CO 0.21 -1.55 0.28 0.43 0.02 0.00 0.00 175.30 174.69 1btj n SER 255 N -3.13 0.00 -4.75 0.23 7.64 -1.15 -3.18 113.62 109.28 1btj n SER 255 Ca 0.10 0.60 -0.41 0.00 1.01 0.00 0.00 58.87 60.17 1btj n SER 255 Cb 0.52 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1btj n SER 255 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1btj s MET 256 N -1.47 4.62 0.00 1.43 1.00 -1.26 -3.22 119.30 120.39 1btj s MET 256 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 55.69 57.47 1btj s MET 256 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 34.83 31.61 1btj s MET 256 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 175.02 175.58 1btj n GLY 257 N 1.56 2.03 2.50 -0.03 0.00 -1.26 -4.93 105.19 105.06 1btj n GLY 257 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1btj n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1btj n GLY 258 N 0.00 0.00 0.80 -0.02 0.00 -1.19 -4.66 105.19 100.11 1btj n GLY 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1btj n GLY 258 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1btj n LYS 259 N 0.00 0.00 -0.45 1.61 5.02 -1.26 -4.10 118.16 118.98 1btj n LYS 259 Ca 0.00 0.02 0.40 0.00 -2.02 0.00 0.00 58.31 56.71 1btj n LYS 259 Cb 0.00 -1.24 0.74 0.00 -0.02 0.00 0.00 35.03 34.51 1btj n LYS 259 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1btj h GLU 260 N 2.49 0.04 0.07 1.97 9.09 -1.92 0.48 114.58 126.80 1btj h GLU 260 Ca 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 1btj h GLU 260 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1btj h GLU 260 CO 0.00 0.03 -0.03 0.38 0.05 0.00 0.00 179.01 179.44 1btj h ASP 261 N 0.04 -0.07 0.45 3.06 2.03 -1.96 -2.54 116.42 117.42 1btj h ASP 261 Ca 0.70 -0.12 -0.31 0.00 -0.73 0.00 0.00 57.03 56.57 1btj h ASP 261 Cb 2.68 0.02 0.02 0.00 -0.83 0.00 0.00 39.33 41.22 1btj h ASP 261 CO -0.08 0.08 -1.38 0.25 -1.03 0.00 0.00 179.24 177.08 1btj h LEU 262 N -0.22 0.63 0.75 0.15 5.85 -0.61 -3.08 115.31 118.77 1btj h LEU 262 Ca -0.01 -0.68 -0.04 0.00 0.84 0.00 0.00 57.88 57.99 1btj h LEU 262 Cb 0.19 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1btj h LEU 262 CO 0.01 1.54 -0.36 0.40 -0.34 0.00 0.00 178.44 179.69 1btj h ILE 263 N 0.11 0.24 -0.75 4.05 2.04 -0.82 0.54 117.51 122.91 1btj h ILE 263 Ca -0.20 -0.06 0.17 0.00 1.00 0.00 0.00 64.86 65.77 1btj h ILE 263 Cb 2.07 0.26 -0.12 0.00 -0.74 0.00 0.00 36.82 38.29 1btj h ILE 263 CO 0.24 0.01 0.14 -0.25 0.00 0.00 0.00 178.15 178.29 1btj h TRP 264 N -1.05 0.21 0.51 1.37 2.91 -1.59 0.10 115.95 118.40 1btj h TRP 264 Ca -0.10 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1btj h TRP 264 Cb 0.78 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 1btj h TRP 264 CO -0.01 -0.14 -0.49 1.49 -1.03 0.00 0.00 178.44 178.26 1btj h GLU 265 N 0.22 -0.96 -0.50 2.65 4.81 -1.39 -0.49 114.58 118.93 1btj h GLU 265 Ca 0.43 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.83 1btj h GLU 265 Cb 0.76 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1btj h GLU 265 CO -0.56 -0.64 0.34 1.25 -0.73 0.00 0.00 179.01 178.67 1btj h LEU 266 N -0.99 0.18 0.31 1.64 5.85 0.09 -1.65 115.31 120.74 1btj h LEU 266 Ca -0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1btj h LEU 266 Cb 0.86 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1btj h LEU 266 CO -0.05 0.11 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.94 1btj h LEU 267 N 0.20 -0.35 -1.46 2.25 3.38 -0.20 -2.44 115.31 116.70 1btj h LEU 267 Ca 0.23 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.36 1btj h LEU 267 Cb 0.65 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1btj h LEU 267 CO -0.04 0.01 0.53 -1.13 0.09 0.00 0.00 178.44 177.90 1btj h ASN 268 N -0.94 0.50 -0.42 -0.43 -1.24 -0.97 0.25 115.58 112.33 1btj h ASN 268 Ca -0.04 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1btj h ASN 268 Cb 0.32 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1btj h ASN 268 CO 0.07 0.26 0.08 1.56 -1.29 0.00 0.00 177.43 178.11 1btj h GLN 269 N 0.54 0.69 -0.15 6.67 1.08 -1.40 -0.66 115.11 121.88 1btj h GLN 269 Ca 0.40 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 1btj h GLN 269 Cb 0.78 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1btj h GLN 269 CO -0.15 0.72 -0.18 0.00 -0.95 0.00 0.00 178.83 178.27 1btj h ALA 270 N 0.94 1.42 0.02 3.87 0.00 -0.14 -0.97 119.26 124.40 1btj h ALA 270 Ca 0.13 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 1btj h ALA 270 Cb 0.36 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1btj h ALA 270 CO 0.01 0.40 -1.07 -0.56 0.00 0.00 0.00 179.25 178.03 1btj h GLN 271 N 0.24 0.67 -0.20 0.00 3.07 -0.61 0.53 115.11 118.79 1btj h GLN 271 Ca 0.04 -0.75 0.02 0.00 0.09 0.00 0.00 58.65 58.06 1btj h GLN 271 Cb 0.46 0.22 -0.02 0.00 0.08 0.00 0.00 27.48 28.21 1btj h GLN 271 CO 0.03 1.32 0.05 0.93 0.09 0.00 0.00 178.83 181.25 1btj h GLU 272 N 0.36 0.14 0.00 0.06 5.08 -0.61 1.19 114.58 120.80 1btj h GLU 272 Ca -0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1btj h GLU 272 Cb 1.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1btj h GLU 272 CO 0.21 0.09 -0.02 0.45 -1.00 0.00 0.00 179.01 178.74 1btj h HIS 273 N 0.14 0.00 -0.23 4.33 3.86 -1.25 -3.39 115.15 118.61 1btj h HIS 273 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1btj h HIS 273 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1btj h HIS 273 CO -0.13 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.85 1btj n PHE 274 N -4.46 0.30 -0.08 2.45 3.01 0.18 -4.46 117.46 114.39 1btj n PHE 274 Ca -0.00 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1btj n PHE 274 Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1btj n PHE 274 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1btj n GLY 275 N 1.16 -2.91 3.54 1.37 0.00 0.41 -1.98 105.19 106.79 1btj n GLY 275 Ca 0.16 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 1btj n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1btj n LYS 276 N -0.59 0.38 -2.98 1.61 4.76 -1.26 -2.66 118.16 117.41 1btj n LYS 276 Ca 0.00 -0.61 -0.12 0.00 -2.87 0.00 0.00 58.31 54.71 1btj n LYS 276 Cb 0.00 -2.89 0.06 0.00 -1.84 0.00 0.00 35.03 30.36 1btj n LYS 276 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1btj n ASP 277 N 14.79 -2.76 -1.03 4.39 8.00 -1.26 -4.94 116.55 133.73 1btj n ASP 277 Ca 0.53 -0.47 0.09 0.00 0.71 0.00 0.00 54.79 55.65 1btj n ASP 277 Cb 0.34 -3.88 0.25 0.00 -0.02 0.00 0.00 41.12 37.81 1btj n ASP 277 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1btj n LYS 278 N -3.16 2.88 -3.50 -1.24 4.76 -1.09 -5.02 118.16 111.78 1btj n LYS 278 Ca -0.18 -2.41 0.00 0.00 -2.87 0.00 0.00 58.31 52.86 1btj n LYS 278 Cb 0.62 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1btj n LYS 278 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1btj n SER 279 N 1.02 0.00 0.00 4.39 2.88 -1.26 -4.84 113.62 115.81 1btj n SER 279 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1btj n SER 279 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1btj n SER 279 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1btj n LYS 280 N -0.10 1.81 0.00 -1.46 5.02 -1.26 -4.84 118.16 117.33 1btj n LYS 280 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1btj n LYS 280 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1btj n LYS 280 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1btj n GLU 281 N -1.06 0.59 0.00 1.97 1.02 -1.26 -4.81 120.64 117.09 1btj n GLU 281 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1btj n GLU 281 Cb 0.01 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1btj n GLU 281 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1btj n PHE 282 N -0.48 0.00 -3.51 -0.32 7.35 -1.26 -5.12 117.46 114.12 1btj n PHE 282 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1btj n PHE 282 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 1btj n PHE 282 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1btj s GLN 283 N -2.00 0.43 0.56 -4.13 1.11 -1.26 -4.89 119.66 109.48 1btj s GLN 283 Ca 0.00 1.03 0.26 0.00 0.01 0.00 0.00 55.36 56.66 1btj s GLN 283 Cb 0.00 0.33 1.52 0.00 -1.01 0.00 0.00 33.01 33.85 1btj s GLN 283 CO 0.00 -0.38 2.06 -0.07 0.01 0.00 0.00 175.29 176.91 1btj h LEU 284 N 8.11 0.00 -3.56 2.90 3.38 -1.67 -2.66 115.31 121.80 1btj h LEU 284 Ca -0.18 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.42 1btj h LEU 284 Cb 1.12 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.58 1btj h LEU 284 CO 0.17 0.00 -0.73 0.49 0.09 0.00 0.00 178.44 178.46 1btj n PHE 285 N -4.05 1.82 -3.59 1.13 3.72 -1.26 -4.68 117.46 110.55 1btj n PHE 285 Ca 0.04 -1.97 -0.09 0.00 -0.05 0.00 0.00 57.45 55.38 1btj n PHE 285 Cb 0.41 -0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 1btj n PHE 285 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1btj s SER 286 N -3.47 -0.31 -0.23 4.37 1.04 -1.00 -4.24 113.70 109.85 1btj s SER 286 Ca 0.46 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 57.04 1btj s SER 286 Cb 0.39 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.83 1btj s SER 286 CO 0.00 -0.29 0.59 -0.55 0.98 0.00 0.00 173.24 173.96 1btj s SER 287 N -1.13 -0.68 0.00 7.02 0.15 -1.26 -4.19 113.70 113.61 1btj s SER 287 Ca 0.00 1.23 0.14 0.00 0.70 0.00 0.00 55.95 58.02 1btj s SER 287 Cb -0.01 1.19 0.75 0.00 -1.71 0.00 0.00 66.02 66.24 1btj s SER 287 CO -0.00 -0.21 1.33 -0.81 1.20 0.00 0.00 173.24 174.74 1btj n PRO 288 N 3.36 0.29 0.00 5.44 -0.04 -1.26 -1.89 135.00 140.90 1btj n PRO 288 Ca -0.17 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1btj n PRO 288 Cb 0.56 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.93 1btj n PRO 288 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1btj n HIS 289 N -1.18 0.00 0.00 0.54 8.25 -1.26 -5.02 115.22 116.55 1btj n HIS 289 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1btj n HIS 289 Cb 0.09 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1btj n HIS 289 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1btj n GLY 290 N 1.41 4.16 3.75 -1.41 0.00 -0.79 -4.86 105.19 107.45 1btj n GLY 290 Ca 0.09 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 1btj n GLY 290 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1btj s LYS 291 N -2.88 4.80 -1.48 1.61 2.47 -1.26 -4.20 119.74 118.80 1btj s LYS 291 Ca 0.00 1.45 0.00 0.00 -1.56 0.00 0.00 55.97 55.86 1btj s LYS 291 Cb 0.00 -3.30 0.00 0.00 -1.46 0.00 0.00 37.83 33.07 1btj s LYS 291 CO 0.00 0.47 0.00 -0.25 0.16 0.00 0.00 175.35 175.73 1btj n ASP 292 N 1.73 -4.81 -4.66 1.43 8.00 -1.26 -5.01 116.55 111.97 1btj n ASP 292 Ca -0.02 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 1btj n ASP 292 Cb 0.48 -3.86 -0.02 0.00 -0.02 0.00 0.00 41.12 37.70 1btj n ASP 292 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1btj s LEU 293 N -4.25 4.20 0.00 0.64 1.43 -1.26 -4.28 118.68 115.16 1btj s LEU 293 Ca 0.00 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1btj s LEU 293 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1btj s LEU 293 CO 0.00 -0.73 0.00 0.18 0.23 0.00 0.00 176.35 176.03 1btj n LEU 294 N 6.38 0.00 -4.13 1.79 4.77 -1.26 -4.81 117.00 119.74 1btj n LEU 294 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 1btj n LEU 294 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1btj n LEU 294 CO 0.56 0.00 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.78 1btj s PHE 295 N 0.00 1.29 0.37 -1.77 0.08 -1.26 -4.63 117.98 112.05 1btj s PHE 295 Ca 0.00 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.48 1btj s PHE 295 Cb 0.00 -0.80 -0.11 0.00 -0.57 0.00 0.00 43.02 41.54 1btj s PHE 295 CO 0.00 0.01 1.49 0.15 -0.10 0.00 0.00 175.22 176.77 1btj s LYS 296 N -0.67 4.12 0.00 0.44 1.02 -1.26 -4.59 119.74 118.79 1btj s LYS 296 Ca 0.04 2.56 0.16 0.00 0.02 0.00 0.00 55.97 58.75 1btj s LYS 296 Cb -0.06 -2.98 0.68 0.00 -0.52 0.00 0.00 37.83 34.95 1btj s LYS 296 CO 0.00 -0.53 1.49 -0.25 -0.92 0.00 0.00 175.35 175.14 1btj n ASP 297 N 0.66 0.00 0.10 2.83 8.00 -1.26 -1.75 116.55 125.12 1btj n ASP 297 Ca 0.02 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.06 1btj n ASP 297 Cb 0.39 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1btj n ASP 297 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1btj h SER 298 N 0.00 0.00 -3.99 -2.24 4.64 -1.90 -3.47 113.55 106.59 1btj h SER 298 Ca 0.00 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.71 1btj h SER 298 Cb 0.25 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.46 1btj h SER 298 CO 0.00 0.04 0.71 0.00 -0.87 0.00 0.00 176.83 176.70 1btj s ALA 299 N -3.30 3.27 -0.10 5.18 0.00 -0.72 -4.74 121.76 121.35 1btj s ALA 299 Ca 0.02 1.47 0.22 0.00 0.00 0.00 0.00 51.96 53.66 1btj s ALA 299 Cb 0.10 -3.59 -0.33 0.00 0.00 0.00 0.00 23.12 19.31 1btj s ALA 299 CO 0.77 -1.17 0.50 0.72 0.00 0.00 0.00 175.76 176.57 1btj n HIS 300 N -0.14 0.00 -2.32 0.00 8.25 0.70 -4.90 115.22 116.81 1btj n HIS 300 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1btj n HIS 300 Cb 0.42 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1btj n HIS 300 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1btj n GLY 301 N 1.29 -0.52 3.28 -1.41 0.00 -1.23 -4.43 105.19 102.18 1btj n GLY 301 Ca -0.03 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1btj n GLY 301 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1btj s PHE 302 N -3.40 1.63 -0.09 1.61 0.08 -1.26 -1.49 117.98 115.07 1btj s PHE 302 Ca 0.00 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1btj s PHE 302 Cb 0.00 -0.84 0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1btj s PHE 302 CO 0.00 0.23 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.77 1btj s LEU 303 N -2.42 1.23 0.49 -0.37 2.01 -0.09 -4.89 118.68 114.64 1btj s LEU 303 Ca 0.11 -0.26 -0.24 0.00 0.01 0.00 0.00 54.13 53.76 1btj s LEU 303 Cb -0.06 -0.75 -0.07 0.00 0.01 0.00 0.00 46.19 45.33 1btj s LEU 303 CO 0.05 -0.09 1.36 -0.75 1.01 0.00 0.00 176.35 177.93 1btj s LYS 304 N 1.43 3.47 0.24 1.70 2.20 -1.26 -0.24 119.74 127.28 1btj s LYS 304 Ca -0.01 2.25 0.06 0.00 -0.36 0.00 0.00 55.97 57.90 1btj s LYS 304 Cb -0.13 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1btj s LYS 304 CO -0.04 -0.93 0.29 0.14 -0.36 0.00 0.00 175.35 174.45 1btj s VAL 305 N -1.29 4.95 -0.25 4.02 -7.23 -0.50 -4.75 120.40 115.36 1btj s VAL 305 Ca 0.66 -1.14 -0.43 0.00 -1.81 0.00 0.00 61.98 59.25 1btj s VAL 305 Cb -0.40 -3.68 -0.20 0.00 0.56 0.00 0.00 36.38 32.66 1btj s VAL 305 CO 0.50 -0.33 1.35 -2.65 -0.31 0.00 0.00 175.10 173.65 1btj n PRO 306 N -1.29 0.05 -1.68 4.82 -0.02 -1.26 -4.82 135.00 130.80 1btj n PRO 306 Ca -0.09 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 1btj n PRO 306 Cb 0.57 -1.53 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 1btj n PRO 306 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1btj n PRO 307 N 2.82 1.95 -2.90 0.52 -0.02 -1.26 -3.64 135.00 132.48 1btj n PRO 307 Ca 0.25 0.69 -0.25 0.00 -2.02 0.00 0.00 63.50 62.17 1btj n PRO 307 Cb 0.02 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.27 1btj n PRO 307 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1btj n ARG 308 N 0.51 -1.27 -3.76 -0.52 1.74 -1.26 -5.00 116.66 107.10 1btj n ARG 308 Ca 0.06 0.86 -0.18 0.00 -0.77 0.00 0.00 57.85 57.83 1btj n ARG 308 Cb 0.36 -1.41 -0.17 0.00 -1.02 0.00 0.00 32.46 30.22 1btj n ARG 308 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1btj s MET 309 N -2.27 0.03 0.29 5.56 1.75 -1.24 -5.16 119.30 118.26 1btj s MET 309 Ca 0.20 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.90 1btj s MET 309 Cb -0.02 -0.42 -0.03 0.00 2.84 0.00 0.00 34.83 37.20 1btj s MET 309 CO 0.61 -0.23 0.46 0.16 -0.65 0.00 0.00 175.02 175.37 1btj s ASP 310 N 1.51 6.32 0.42 1.11 1.47 -1.26 -4.33 116.67 121.91 1btj s ASP 310 Ca -0.03 0.33 0.30 0.00 1.18 0.00 0.00 52.55 54.32 1btj s ASP 310 Cb -0.13 -1.98 1.43 0.00 -0.34 0.00 0.00 42.92 41.90 1btj s ASP 310 CO -0.03 -0.18 1.51 0.00 0.68 0.00 0.00 175.17 177.16 1btj n ALA 311 N -1.44 1.28 -0.08 2.11 0.00 -1.26 -0.40 120.51 120.72 1btj n ALA 311 Ca -0.06 0.86 -0.11 0.00 0.00 0.00 0.00 53.44 54.13 1btj n ALA 311 Cb 0.56 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1btj n ALA 311 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1btj h LYS 312 N 0.00 0.43 -0.03 0.00 1.57 -1.95 0.17 116.57 116.75 1btj h LYS 312 Ca 0.85 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 59.35 1btj h LYS 312 Cb 2.67 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.93 1btj h LYS 312 CO -0.49 0.62 -0.61 0.00 -0.57 0.00 0.00 179.45 178.40 1btj h MET 313 N 0.19 0.11 0.19 3.15 -0.00 -1.10 0.13 114.93 117.60 1btj h MET 313 Ca 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1btj h MET 313 Cb 0.43 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 1btj h MET 313 CO 0.01 0.68 -0.09 -0.92 -0.00 0.00 0.00 176.91 176.60 1btj h TYR 314 N 0.08 -0.23 0.11 -0.10 5.03 -1.15 -3.32 116.97 117.40 1btj h TYR 314 Ca -0.01 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1btj h TYR 314 Cb 1.09 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.45 1btj h TYR 314 CO 0.01 0.11 -0.05 -0.07 -1.32 0.00 0.00 178.16 176.83 1btj h LEU 315 N -0.60 -0.13 0.00 2.82 4.07 -0.66 -3.46 115.31 117.35 1btj h LEU 315 Ca -0.03 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1btj h LEU 315 Cb 0.44 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1btj h LEU 315 CO 0.04 0.22 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 1btj n GLY 316 N -0.22 2.94 0.41 0.83 0.00 0.44 -4.30 105.19 105.29 1btj n GLY 316 Ca -0.09 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1btj n GLY 316 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1btj h TYR 317 N 0.00 -1.44 0.15 1.61 3.20 -1.90 -2.22 116.97 116.36 1btj h TYR 317 Ca 0.00 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1btj h TYR 317 Cb 0.00 0.72 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 1btj h TYR 317 CO 0.00 -0.43 -0.46 0.93 -1.64 0.00 0.00 178.16 176.56 1btj h GLU 318 N -0.21 -0.69 0.05 1.82 3.07 -1.89 0.58 114.58 117.31 1btj h GLU 318 Ca 0.17 0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1btj h GLU 318 Cb 0.55 0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.57 1btj h GLU 318 CO -0.73 -0.46 -0.44 -0.92 -1.40 0.00 0.00 179.01 175.06 1btj h TYR 319 N -0.71 -1.26 -0.98 4.33 5.03 -1.77 0.30 116.97 121.91 1btj h TYR 319 Ca 0.01 0.04 0.16 0.00 2.58 0.00 0.00 58.73 61.51 1btj h TYR 319 Cb 0.72 0.54 -0.09 0.00 1.55 0.00 0.00 36.73 39.46 1btj h TYR 319 CO -0.39 -0.52 0.61 0.28 -1.32 0.00 0.00 178.16 176.82 1btj h VAL 320 N -0.63 0.80 -0.42 1.81 2.07 -1.21 0.16 116.25 118.83 1btj h VAL 320 Ca 0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1btj h VAL 320 Cb 0.68 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1btj h VAL 320 CO -0.29 0.15 0.13 0.74 0.02 0.00 0.00 177.57 178.32 1btj h THR 321 N 0.81 1.22 0.53 2.57 2.02 0.16 -2.01 112.91 118.21 1btj h THR 321 Ca 0.52 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1btj h THR 321 Cb 0.74 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1btj h THR 321 CO -0.30 0.25 -0.25 0.00 0.37 0.00 0.00 175.52 175.59 1btj h ALA 322 N 0.98 -0.71 -0.94 6.16 0.00 0.89 -1.44 119.26 124.20 1btj h ALA 322 Ca 0.14 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1btj h ALA 322 Cb 0.26 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1btj h ALA 322 CO -0.00 -0.79 0.57 0.97 0.00 0.00 0.00 179.25 180.00 1btj h ILE 323 N -0.93 0.94 0.94 0.00 2.10 -0.83 0.95 117.51 120.67 1btj h ILE 323 Ca -0.07 -0.32 -0.05 0.00 1.08 0.00 0.00 64.86 65.50 1btj h ILE 323 Cb 0.62 -0.09 0.01 0.00 -1.09 0.00 0.00 36.82 36.27 1btj h ILE 323 CO 0.12 0.17 -0.47 0.03 -1.08 0.00 0.00 178.15 176.93 1btj h ARG 324 N 0.95 -1.23 -0.23 2.19 3.08 -1.31 0.30 114.38 118.12 1btj h ARG 324 Ca 0.45 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.64 1btj h ARG 324 Cb 0.39 0.28 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 1btj h ARG 324 CO -0.24 -0.82 -0.28 -0.91 -1.07 0.00 0.00 179.97 176.64 1btj h ASN 325 N -1.28 -0.89 -0.63 7.04 -0.26 -0.87 0.74 115.58 119.44 1btj h ASN 325 Ca -0.13 0.15 0.12 0.00 -0.56 0.00 0.00 56.30 55.88 1btj h ASN 325 Cb 0.99 0.41 -0.09 0.00 -1.06 0.00 0.00 38.32 38.56 1btj h ASN 325 CO 0.20 -0.31 0.12 -0.07 -1.06 0.00 0.00 177.43 176.30 1btj h LEU 326 N -0.30 -0.04 0.04 1.61 3.38 -0.63 1.18 115.31 120.56 1btj h LEU 326 Ca 0.13 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1btj h LEU 326 Cb 0.50 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1btj h LEU 326 CO -0.40 -0.02 -0.02 0.03 0.09 0.00 0.00 178.44 178.12 1btj h ARG 327 N 0.24 -0.06 0.00 1.13 3.08 0.89 -3.35 114.38 116.32 1btj h ARG 327 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1btj h ARG 327 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1btj h ARG 327 CO -0.44 -0.04 0.00 0.93 -1.07 0.00 0.00 179.97 179.35 1btj h GLU 328 N -0.22 0.00 -4.91 0.04 5.08 0.38 -3.47 114.58 111.48 1btj h GLU 328 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1btj h GLU 328 Cb 0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1btj h GLU 328 CO 0.01 0.00 -0.28 0.41 -1.00 0.00 0.00 179.01 178.15 1btj n GLY 329 N -0.17 -0.49 2.99 -3.84 0.00 0.41 -4.93 105.19 99.16 1btj n GLY 329 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1btj n GLY 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1btj s THR 330 N -2.48 1.97 -0.15 2.61 -4.23 -1.26 -5.05 115.64 107.05 1btj s THR 330 Ca 0.15 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 1btj s THR 330 Cb -0.08 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1btj s THR 330 CO 0.18 -0.37 1.18 0.00 -0.54 0.00 0.00 174.62 175.07 1btj s PRO 332 N 3.06 -0.40 0.57 0.00 0.04 -1.26 -5.04 135.00 131.97 1btj s PRO 332 Ca 0.52 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.15 1btj s PRO 332 Cb -0.20 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1btj s PRO 332 CO 0.14 -3.33 0.90 -1.83 0.04 0.00 0.00 177.00 172.93 1btj s GLU 333 N -4.69 3.25 0.03 4.56 1.03 -1.26 -5.10 118.70 116.52 1btj s GLU 333 Ca 0.67 0.23 0.04 0.00 0.03 0.00 0.00 54.97 55.94 1btj s GLU 333 Cb -0.22 -2.26 -0.02 0.00 -0.80 0.00 0.00 34.13 30.83 1btj s GLU 333 CO 0.61 -0.53 -0.12 0.00 -1.33 0.00 0.00 175.26 173.89 1btj s ALA 334 N -2.96 1.01 0.00 -0.84 0.00 -1.26 -5.07 121.76 112.63 1btj s ALA 334 Ca 0.52 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1btj s ALA 334 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1btj s ALA 334 CO 0.47 0.18 0.00 -2.30 0.00 0.00 0.00 175.76 174.11 1btj n PRO 335 N 1.96 0.00 0.00 0.00 -0.01 -1.26 -5.37 135.00 130.32 1btj n PRO 335 Ca -0.18 0.00 0.12 0.00 -0.01 0.00 0.00 63.50 63.43 1btj n PRO 335 Cb 0.55 0.00 0.70 0.00 -0.01 0.00 0.00 33.50 34.74 1btj n PRO 335 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 175.50 173.12