#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzm h GLN 2 N 0.00 0.07 -0.12 3.17 5.75 -2.01 -2.09 115.11 119.89 3bzm h GLN 2 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3bzm h GLN 2 Cb 0.00 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 3bzm h GLN 2 CO 0.00 0.81 0.04 0.77 -2.65 0.00 0.00 178.83 177.80 3bzm h SER 3 N 0.04 0.17 0.46 -0.69 0.02 -2.00 -2.11 113.55 109.45 3bzm h SER 3 Ca -0.02 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3bzm h SER 3 Cb 1.36 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3bzm h SER 3 CO 0.11 0.31 -0.22 0.25 -1.14 0.00 0.00 176.83 176.14 3bzm h LEU 4 N 0.01 -0.53 -0.28 5.07 5.85 -1.93 -2.02 115.31 121.47 3bzm h LEU 4 Ca 0.04 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3bzm h LEU 4 Cb 0.20 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3bzm h LEU 4 CO -0.00 -0.34 -0.39 0.74 -0.34 0.00 0.00 178.44 178.11 3bzm h THR 5 N -0.67 0.17 -0.94 1.05 2.02 -1.41 0.20 112.91 113.32 3bzm h THR 5 Ca -0.06 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.28 3bzm h THR 5 Cb 0.50 0.17 -0.10 0.00 -1.74 0.00 0.00 68.15 66.98 3bzm h THR 5 CO 0.10 0.00 0.55 0.74 0.37 0.00 0.00 175.52 177.28 3bzm h THR 6 N -0.37 0.75 -0.29 3.16 2.02 -1.37 -1.15 112.91 115.66 3bzm h THR 6 Ca 0.12 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 3bzm h THR 6 Cb 0.58 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3bzm h THR 6 CO -0.48 0.14 -0.18 0.00 0.37 0.00 0.00 175.52 175.37 3bzm h ALA 7 N 1.59 0.42 -0.46 6.16 0.00 -0.28 -2.21 119.26 124.47 3bzm h ALA 7 Ca 0.52 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3bzm h ALA 7 Cb 0.73 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3bzm h ALA 7 CO -0.35 0.34 0.28 -0.07 0.00 0.00 0.00 179.25 179.45 3bzm h LEU 8 N 0.39 0.46 -1.40 0.00 3.38 -0.21 -0.82 115.31 117.10 3bzm h LEU 8 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3bzm h LEU 8 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3bzm h LEU 8 CO 0.05 0.33 -0.13 -0.33 0.09 0.00 0.00 178.44 178.45 3bzm h GLU 9 N 0.56 0.24 -0.44 1.13 5.08 -1.15 0.96 114.58 120.95 3bzm h GLU 9 Ca 0.18 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3bzm h GLU 9 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3bzm h GLU 9 CO -0.07 0.37 -0.25 -0.97 -1.00 0.00 0.00 179.01 177.09 3bzm h ASN 10 N 0.23 0.99 0.05 1.42 -0.73 -1.09 -1.89 115.58 114.56 3bzm h ASN 10 Ca 0.05 -0.41 -0.00 0.00 1.87 0.00 0.00 56.30 57.80 3bzm h ASN 10 Cb 0.37 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.68 3bzm h ASN 10 CO 0.02 1.19 -0.02 0.25 -0.37 0.00 0.00 177.43 178.50 3bzm h LEU 11 N 0.80 -0.06 -0.87 0.34 5.85 -0.36 -1.99 115.31 119.02 3bzm h LEU 11 Ca 0.09 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.61 3bzm h LEU 11 Cb 0.83 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 3bzm h LEU 11 CO 0.07 0.29 0.51 -0.07 -0.34 0.00 0.00 178.44 178.90 3bzm h LEU 12 N -0.41 0.71 -0.47 2.25 3.38 -0.89 0.26 115.31 120.14 3bzm h LEU 12 Ca -0.01 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3bzm h LEU 12 Cb 0.37 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3bzm h LEU 12 CO 0.01 0.39 0.05 0.03 0.09 0.00 0.00 178.44 179.01 3bzm h ARG 13 N 0.82 0.17 -0.84 1.13 3.08 -1.08 -2.16 114.38 115.49 3bzm h ARG 13 Ca 0.43 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 3bzm h ARG 13 Cb 0.44 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 3bzm h ARG 13 CO -0.27 0.11 0.44 0.45 -1.07 0.00 0.00 179.97 179.63 3bzm h HIS 14 N 0.17 1.18 0.00 3.04 3.86 -0.48 -2.16 115.15 120.77 3bzm h HIS 14 Ca 0.24 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3bzm h HIS 14 Cb 0.33 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3bzm h HIS 14 CO -0.26 0.83 0.00 1.28 0.86 0.00 0.00 177.93 180.65 3bzm n LEU 15 N -4.32 0.25 -0.17 2.43 4.77 -0.04 -2.48 117.00 117.45 3bzm n LEU 15 Ca 0.09 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3bzm n LEU 15 Cb 0.12 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 40.90 3bzm n LEU 15 CO 0.39 -0.33 0.44 -1.54 -1.33 0.00 0.00 177.39 175.02 3bzm n SER 16 N -1.77 0.99 -4.75 -1.43 3.41 -0.82 -4.87 113.62 104.39 3bzm n SER 16 Ca 0.03 -0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 57.56 3bzm n SER 16 Cb 0.22 0.34 0.12 0.00 -0.26 0.00 0.00 64.21 64.63 3bzm n SER 16 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3bzm s GLN 17 N -2.73 1.67 0.12 4.33 -0.21 -1.04 -4.96 119.66 116.84 3bzm s GLN 17 Ca 0.17 0.87 -0.31 0.00 0.02 0.00 0.00 55.36 56.11 3bzm s GLN 17 Cb 0.18 -1.85 -0.10 0.00 1.00 0.00 0.00 33.01 32.24 3bzm s GLN 17 CO 0.64 -1.97 1.75 -2.00 -2.12 0.00 0.00 175.29 171.58 3bzm s GLU 18 N -4.97 4.16 -0.13 2.91 2.12 -1.26 -4.98 118.70 116.55 3bzm s GLU 18 Ca 0.62 2.50 0.02 0.00 0.36 0.00 0.00 54.97 58.47 3bzm s GLU 18 Cb -0.17 -3.50 -0.00 0.00 0.26 0.00 0.00 34.13 30.71 3bzm s GLU 18 CO 0.56 -0.78 -0.18 0.42 -0.54 0.00 0.00 175.26 174.74 3bzm s ILE 19 N 2.40 2.54 0.26 -3.70 -1.09 -1.26 -5.11 121.20 115.24 3bzm s ILE 19 Ca 0.77 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 3bzm s ILE 19 Cb -0.44 -2.04 -0.14 0.00 -1.58 0.00 0.00 42.46 38.26 3bzm s ILE 19 CO 0.34 0.54 1.29 -0.81 -1.23 0.00 0.00 174.94 175.07 3bzm n PRO 20 N 3.72 1.83 -1.09 2.79 -0.04 -1.26 -4.45 135.00 136.51 3bzm n PRO 20 Ca -0.19 0.65 -0.20 0.00 -0.04 0.00 0.00 63.50 63.72 3bzm n PRO 20 Cb 0.52 -2.22 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 3bzm n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bzm n ALA 21 N 1.27 5.58 -2.40 0.55 0.00 -1.26 -2.37 120.51 121.88 3bzm n ALA 21 Ca 0.10 -2.13 -0.19 0.00 0.00 0.00 0.00 53.44 51.22 3bzm n ALA 21 Cb 0.32 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 3bzm n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bzm s THR 22 N -2.28 1.66 0.76 0.00 -4.23 -1.26 -4.55 115.64 105.74 3bzm s THR 22 Ca 0.41 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 3bzm s THR 22 Cb 0.29 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3bzm s THR 22 CO -0.07 -0.49 0.76 -2.65 -0.54 0.00 0.00 174.62 171.63 3bzm n PRO 23 N -0.00 0.29 -3.12 3.99 -0.02 -0.23 -1.48 135.00 134.42 3bzm n PRO 23 Ca -0.11 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3bzm n PRO 23 Cb 0.59 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3bzm n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bzm n GLY 24 N 1.29 -0.72 3.37 -1.23 0.00 -1.03 -4.82 105.19 102.04 3bzm n GLY 24 Ca 0.11 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 3bzm n GLY 24 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3bzm s ILE 25 N -2.83 -0.01 0.03 -0.61 -1.16 -1.26 -1.90 121.20 113.47 3bzm s ILE 25 Ca 0.00 0.03 0.03 0.00 -0.51 0.00 0.00 60.65 60.20 3bzm s ILE 25 Cb 0.00 -0.68 -0.02 0.00 0.61 0.00 0.00 42.46 42.37 3bzm s ILE 25 CO 0.00 0.01 -0.09 -0.13 -2.81 0.00 0.00 174.94 171.92 3bzm s ARG 26 N 0.79 0.64 -0.21 3.50 1.81 1.00 -4.99 118.95 121.48 3bzm s ARG 26 Ca -0.04 -0.64 0.01 0.00 -1.72 0.00 0.00 55.73 53.34 3bzm s ARG 26 Cb -0.05 -0.54 0.03 0.00 -0.45 0.00 0.00 34.95 33.94 3bzm s ARG 26 CO -0.06 0.13 -0.15 0.08 -0.68 0.00 0.00 175.30 174.61 3bzm s VAL 27 N -0.93 2.21 -0.23 3.52 1.01 -1.26 -1.28 120.40 123.43 3bzm s VAL 27 Ca -0.03 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.77 3bzm s VAL 27 Cb -0.08 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3bzm s VAL 27 CO 0.01 0.33 -0.05 -0.63 0.00 0.00 0.00 175.10 174.75 3bzm s ILE 28 N 1.24 3.10 -0.21 2.22 1.01 0.17 -4.95 121.20 123.78 3bzm s ILE 28 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3bzm s ILE 28 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3bzm s ILE 28 CO -0.09 0.31 -0.01 -1.81 0.00 0.00 0.00 174.94 173.34 3bzm s ASP 29 N 1.40 4.69 -0.16 3.58 1.01 -1.26 0.99 116.67 126.92 3bzm s ASP 29 Ca 0.03 -0.26 -0.02 0.00 0.71 0.00 0.00 52.55 53.01 3bzm s ASP 29 Cb -0.15 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 41.96 3bzm s ASP 29 CO -0.04 0.03 -0.10 -0.63 0.21 0.00 0.00 175.17 174.64 3bzm s ILE 30 N 1.20 3.20 0.37 0.77 -1.09 0.10 -4.96 121.20 120.80 3bzm s ILE 30 Ca 0.03 -0.59 -0.27 0.00 -2.23 0.00 0.00 60.65 57.59 3bzm s ILE 30 Cb -0.15 -2.38 -0.11 0.00 -1.58 0.00 0.00 42.46 38.24 3bzm s ILE 30 CO 0.01 0.49 1.33 -0.81 -1.23 0.00 0.00 174.94 174.73 3bzm n PRO 31 N 3.91 2.19 -3.97 2.79 -0.04 -1.26 -0.08 135.00 138.54 3bzm n PRO 31 Ca -0.18 0.77 -0.31 0.00 -0.04 0.00 0.00 63.50 63.74 3bzm n PRO 31 Cb 0.52 -2.42 -0.15 0.00 -0.04 0.00 0.00 33.50 31.41 3bzm n PRO 31 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3bzm s PHE 32 N -1.13 2.99 0.03 0.54 2.19 0.14 -4.73 117.98 118.01 3bzm s PHE 32 Ca 0.57 -2.34 -0.30 0.00 0.33 0.00 0.00 56.93 55.19 3bzm s PHE 32 Cb -0.53 -2.17 -0.08 0.00 -1.31 0.00 0.00 43.02 38.93 3bzm s PHE 32 CO 0.61 -0.88 1.77 -2.14 1.83 0.00 0.00 175.22 176.42 3bzm s PRO 33 N 1.18 4.17 -0.50 10.12 0.02 -1.26 -3.91 135.00 144.82 3bzm s PRO 33 Ca 0.02 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.47 3bzm s PRO 33 Cb -0.19 -3.87 0.44 0.00 0.02 0.00 0.00 34.50 30.89 3bzm s PRO 33 CO -0.09 -0.84 1.53 -0.11 -0.33 0.00 0.00 177.00 177.15 3bzm n LEU 34 N 6.61 6.02 0.23 -5.54 0.00 -1.26 -4.70 117.00 118.36 3bzm n LEU 34 Ca 0.18 -4.72 0.08 0.00 0.00 0.00 0.00 56.01 51.55 3bzm n LEU 34 Cb 0.41 -0.64 0.57 0.00 0.00 0.00 0.00 43.42 43.76 3bzm n LEU 34 CO 0.64 1.91 0.89 0.50 0.00 0.00 0.00 177.39 181.33 3bzm h LYS 35 N 2.31 0.00 -5.37 1.96 3.64 -1.95 -3.41 116.57 113.75 3bzm h LYS 35 Ca 0.45 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 59.23 3bzm h LYS 35 Cb 1.02 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 3bzm h LYS 35 CO 1.10 0.20 -0.57 -0.51 -2.27 0.00 0.00 179.45 177.41 3bzm s ASP 36 N -6.56 3.53 0.72 4.20 1.01 -1.26 -5.12 116.67 113.18 3bzm s ASP 36 Ca -0.03 -1.49 -0.11 0.00 0.71 0.00 0.00 52.55 51.63 3bzm s ASP 36 Cb 0.14 0.03 0.02 0.00 1.01 0.00 0.00 42.92 44.12 3bzm s ASP 36 CO 0.65 -0.65 1.09 0.00 0.21 0.00 0.00 175.17 176.47 3bzm s ALA 37 N -2.93 2.78 -0.08 5.23 0.00 -1.26 -5.04 121.76 120.46 3bzm s ALA 37 Ca 0.26 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.98 3bzm s ALA 37 Cb 0.06 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 3bzm s ALA 37 CO 0.13 -1.22 -0.24 0.12 0.00 0.00 0.00 175.76 174.55 3bzm s PHE 38 N -3.30 2.42 -1.31 0.00 5.36 -1.26 -5.01 117.98 114.89 3bzm s PHE 38 Ca 0.58 -0.86 -0.14 0.00 -0.96 0.00 0.00 56.93 55.56 3bzm s PHE 38 Cb -0.12 -1.61 0.11 0.00 -0.34 0.00 0.00 43.02 41.07 3bzm s PHE 38 CO 0.52 -0.31 1.80 -3.47 -1.46 0.00 0.00 175.22 172.30 3bzm n ASP 39 N 3.25 4.81 -0.32 6.13 2.03 -1.26 -4.75 116.55 126.45 3bzm n ASP 39 Ca -0.18 -2.96 0.16 0.00 0.52 0.00 0.00 54.79 52.33 3bzm n ASP 39 Cb 0.52 -1.62 0.40 0.00 -0.72 0.00 0.00 41.12 39.70 3bzm n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bzm h ALA 40 N 6.70 1.90 -0.25 -1.67 0.00 -1.99 -1.94 119.26 122.01 3bzm h ALA 40 Ca 0.43 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3bzm h ALA 40 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3bzm h ALA 40 CO 1.54 -0.25 0.04 -0.07 0.00 0.00 0.00 179.25 180.51 3bzm h LEU 41 N 0.62 0.40 -0.46 0.00 3.38 -1.96 -0.63 115.31 116.65 3bzm h LEU 41 Ca 0.55 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.31 3bzm h LEU 41 Cb 1.05 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 3bzm h LEU 41 CO -0.31 0.56 0.18 0.28 0.09 0.00 0.00 178.44 179.24 3bzm h SER 42 N 0.23 0.21 -0.14 -0.43 0.02 -1.81 -1.12 113.55 110.51 3bzm h SER 42 Ca 0.08 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3bzm h SER 42 Cb 0.33 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 3bzm h SER 42 CO 0.00 0.15 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.49 3bzm h TRP 43 N 0.36 -0.26 -0.47 3.45 7.01 -1.24 -1.88 115.95 122.93 3bzm h TRP 43 Ca 0.21 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.29 3bzm h TRP 43 Cb 0.19 0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.34 3bzm h TRP 43 CO -0.14 -0.16 0.18 -0.07 -2.79 0.00 0.00 178.44 175.46 3bzm h LEU 44 N -0.11 0.21 -1.08 0.65 3.38 -0.99 -2.27 115.31 115.09 3bzm h LEU 44 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3bzm h LEU 44 Cb 0.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3bzm h LEU 44 CO -0.21 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.48 3bzm h ALA 45 N 1.30 1.00 0.00 1.53 0.00 -1.02 -2.20 119.26 119.86 3bzm h ALA 45 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3bzm h ALA 45 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3bzm h ALA 45 CO -0.21 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.47 3bzm n SER 46 N -2.70 0.25 -4.89 0.00 7.64 -0.72 -4.88 113.62 108.33 3bzm n SER 46 Ca 0.01 0.55 -0.31 0.00 1.01 0.00 0.00 58.87 60.14 3bzm n SER 46 Cb 0.28 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 3bzm n SER 46 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3bzm s GLN 47 N -3.09 3.68 0.00 1.43 -1.52 -0.83 -4.74 119.66 114.59 3bzm s GLN 47 Ca 0.08 0.06 0.23 0.00 -1.95 0.00 0.00 55.36 53.78 3bzm s GLN 47 Cb 0.12 -2.72 0.14 0.00 -0.22 0.00 0.00 33.01 30.33 3bzm s GLN 47 CO 0.38 0.34 1.20 1.04 -0.25 0.00 0.00 175.29 178.00 3bzm n GLN 48 N -0.31 2.02 -2.91 2.91 1.13 -1.26 -4.94 117.38 114.01 3bzm n GLN 48 Ca -0.01 -1.70 -0.40 0.00 -1.94 0.00 0.00 57.00 52.95 3bzm n GLN 48 Cb 0.53 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 3bzm n GLN 48 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3bzm s THR 49 N -2.03 4.42 0.23 5.09 2.01 -1.26 -5.00 115.64 119.10 3bzm s THR 49 Ca 0.25 1.79 0.09 0.00 0.31 0.00 0.00 61.69 64.14 3bzm s THR 49 Cb 0.19 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 3bzm s THR 49 CO 0.34 0.46 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.25 3bzm s TYR 50 N -0.77 1.94 0.87 4.92 1.51 -1.26 -4.59 117.35 119.97 3bzm s TYR 50 Ca 0.39 -0.47 -0.12 0.00 -1.01 0.00 0.00 57.07 55.85 3bzm s TYR 50 Cb -0.23 -0.88 0.11 0.00 -0.11 0.00 0.00 41.96 40.85 3bzm s TYR 50 CO 0.27 0.50 1.11 -2.14 -1.11 0.00 0.00 175.55 174.17 3bzm s PRO 51 N -3.54 1.52 0.02 -1.71 0.02 -1.26 -4.48 135.00 125.57 3bzm s PRO 51 Ca 0.25 0.55 0.05 0.00 0.02 0.00 0.00 61.00 61.87 3bzm s PRO 51 Cb -0.03 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 3bzm s PRO 51 CO 0.10 -1.99 -0.16 -0.65 -0.33 0.00 0.00 177.00 173.97 3bzm s GLN 52 N -5.14 1.13 -0.02 5.54 -0.21 -0.58 -1.50 119.66 118.87 3bzm s GLN 52 Ca 0.62 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 55.33 3bzm s GLN 52 Cb -0.15 -1.13 0.01 0.00 1.00 0.00 0.00 33.01 32.73 3bzm s GLN 52 CO 0.55 0.30 -0.06 0.12 -2.12 0.00 0.00 175.29 174.07 3bzm s PHE 53 N -0.63 0.64 -0.02 0.91 5.36 -0.62 -1.24 117.98 122.39 3bzm s PHE 53 Ca 0.04 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 55.93 3bzm s PHE 53 Cb -0.07 -0.48 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 3bzm s PHE 53 CO 0.01 -0.08 -0.19 -0.47 -1.46 0.00 0.00 175.22 173.03 3bzm s TYR 54 N 0.25 1.72 -0.14 10.12 5.04 0.90 -1.17 117.35 134.07 3bzm s TYR 54 Ca -0.03 -0.33 -0.09 0.00 -2.44 0.00 0.00 57.07 54.18 3bzm s TYR 54 Cb -0.07 -1.11 0.05 0.00 0.35 0.00 0.00 41.96 41.18 3bzm s TYR 54 CO -0.00 -0.03 0.36 -0.46 -1.34 0.00 0.00 175.55 174.07 3bzm s TRP 55 N -0.43 -0.48 -0.09 4.97 -0.00 -0.81 -0.56 118.94 121.55 3bzm s TRP 55 Ca 0.07 1.07 0.01 0.00 -0.00 0.00 0.00 56.10 57.25 3bzm s TRP 55 Cb -0.08 0.18 0.02 0.00 -0.00 0.00 0.00 33.47 33.59 3bzm s TRP 55 CO -0.01 -0.27 -0.11 -1.14 -0.00 0.00 0.00 176.95 175.42 3bzm s GLN 56 N 1.01 1.68 0.55 5.86 0.74 -0.65 -0.59 119.66 128.26 3bzm s GLN 56 Ca -0.07 -0.37 -0.21 0.00 0.05 0.00 0.00 55.36 54.76 3bzm s GLN 56 Cb -0.07 -1.51 -0.05 0.00 1.10 0.00 0.00 33.01 32.48 3bzm s GLN 56 CO -0.08 -0.08 1.32 -1.14 -0.55 0.00 0.00 175.29 174.76 3bzm s GLN 57 N 1.05 3.15 0.52 1.67 -0.44 0.21 -2.34 119.66 123.48 3bzm s GLN 57 Ca -0.07 2.13 0.21 0.00 -2.50 0.00 0.00 55.36 55.13 3bzm s GLN 57 Cb -0.15 -2.21 1.33 0.00 -1.64 0.00 0.00 33.01 30.34 3bzm s GLN 57 CO -0.01 -1.15 2.07 0.07 0.50 0.00 0.00 175.29 176.77 3bzm h ARG 58 N 1.40 0.00 0.00 1.67 0.11 -1.90 -1.63 114.38 114.04 3bzm h ARG 58 Ca -0.51 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3bzm h ARG 58 Cb 1.30 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3bzm h ARG 58 CO 0.57 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.73 3bzm n ASN 59 N -4.46 0.18 0.00 0.08 4.13 -1.26 -3.91 115.26 110.01 3bzm n ASN 59 Ca 0.03 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.83 3bzm n ASN 59 Cb 0.35 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 3bzm n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bzm n GLY 60 N 0.57 0.86 0.09 7.41 0.00 -0.61 -4.90 105.19 108.61 3bzm n GLY 60 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 3bzm n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bzm n ASP 61 N 0.00 0.79 -4.24 1.61 2.03 -1.26 -4.86 116.55 110.63 3bzm n ASP 61 Ca 0.00 0.34 -0.32 0.00 0.52 0.00 0.00 54.79 55.33 3bzm n ASP 61 Cb 0.00 0.31 -0.17 0.00 -0.72 0.00 0.00 41.12 40.54 3bzm n ASP 61 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3bzm s GLU 62 N -3.01 3.07 -0.08 -0.67 2.12 -1.26 0.16 118.70 119.03 3bzm s GLU 62 Ca -0.03 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.37 3bzm s GLU 62 Cb 0.09 -2.33 0.02 0.00 0.26 0.00 0.00 34.13 32.17 3bzm s GLU 62 CO 0.81 0.19 0.22 -2.00 -0.54 0.00 0.00 175.26 173.94 3bzm s GLU 63 N 0.33 0.25 0.03 4.30 2.12 -0.77 -0.62 118.70 124.33 3bzm s GLU 63 Ca -0.18 0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.47 3bzm s GLU 63 Cb -0.18 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 3bzm s GLU 63 CO 0.09 -0.04 -0.02 0.00 -0.54 0.00 0.00 175.26 174.74 3bzm s ALA 64 N 0.23 0.23 -0.05 6.30 0.00 0.24 -1.14 121.76 127.57 3bzm s ALA 64 Ca -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3bzm s ALA 64 Cb -0.02 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3bzm s ALA 64 CO -0.01 -0.23 0.00 0.14 0.00 0.00 0.00 175.76 175.66 3bzm s VAL 65 N -2.27 0.28 0.06 0.00 -7.23 -0.31 -1.92 120.40 109.01 3bzm s VAL 65 Ca -0.08 0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.27 3bzm s VAL 65 Cb -0.04 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 3bzm s VAL 65 CO -0.04 0.21 -0.19 0.68 -0.31 0.00 0.00 175.10 175.45 3bzm s VAL 66 N 1.56 1.52 -0.02 1.32 -7.23 -0.31 -1.66 120.40 115.58 3bzm s VAL 66 Ca -0.02 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 58.92 3bzm s VAL 66 Cb -0.13 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.49 3bzm s VAL 66 CO -0.03 0.09 0.03 -0.22 -0.31 0.00 0.00 175.10 174.66 3bzm s LEU 67 N -1.34 1.01 0.00 1.32 2.96 -0.29 -1.59 118.68 120.75 3bzm s LEU 67 Ca 0.05 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3bzm s LEU 67 Cb -0.09 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.52 3bzm s LEU 67 CO 0.02 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 3bzm n GLY 68 N 4.26 -2.00 3.26 7.98 0.00 -0.56 -2.59 105.19 115.54 3bzm n GLY 68 Ca -0.26 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 3bzm n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzm s ALA 69 N -0.44 3.70 0.25 4.61 0.00 -1.26 0.11 121.76 128.73 3bzm s ALA 69 Ca 0.00 -2.86 -0.05 0.00 0.00 0.00 0.00 51.96 49.05 3bzm s ALA 69 Cb 0.00 -3.15 0.48 0.00 0.00 0.00 0.00 23.12 20.45 3bzm s ALA 69 CO 0.00 -2.08 1.65 0.82 0.00 0.00 0.00 175.76 176.16 3bzm h ILE 70 N 5.55 0.40 -3.42 0.00 2.04 -1.59 -3.42 117.51 117.08 3bzm h ILE 70 Ca -0.12 -0.06 -0.18 0.00 1.00 0.00 0.00 64.86 65.50 3bzm h ILE 70 Cb 1.06 0.21 -0.25 0.00 -0.74 0.00 0.00 36.82 37.10 3bzm h ILE 70 CO 0.86 0.03 -0.54 -0.89 0.00 0.00 0.00 178.15 177.62 3bzm s THR 71 N -6.07 0.02 0.11 -0.27 2.01 -1.23 -5.02 115.64 105.20 3bzm s THR 71 Ca -0.13 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3bzm s THR 71 Cb 0.22 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.43 3bzm s THR 71 CO 0.76 -0.09 0.15 -0.13 -0.69 0.00 0.00 174.62 174.61 3bzm s ARG 72 N -0.26 3.04 -0.02 4.92 0.52 -1.26 -1.47 118.95 124.42 3bzm s ARG 72 Ca -0.03 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3bzm s ARG 72 Cb -0.03 -2.78 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 3bzm s ARG 72 CO 0.00 0.54 -0.12 -0.06 0.02 0.00 0.00 175.30 175.68 3bzm s PHE 73 N -1.58 1.14 -2.65 -0.53 0.08 -0.20 -4.98 117.98 109.26 3bzm s PHE 73 Ca 0.31 -0.25 0.24 0.00 0.12 0.00 0.00 56.93 57.35 3bzm s PHE 73 Cb -0.11 -0.76 0.38 0.00 -0.57 0.00 0.00 43.02 41.95 3bzm s PHE 73 CO 0.24 -0.06 1.37 0.25 -0.10 0.00 0.00 175.22 176.92 3bzm n THR 74 N 2.98 0.30 -3.53 0.64 -2.24 -1.26 -1.93 114.28 109.23 3bzm n THR 74 Ca -0.16 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 3bzm n THR 74 Cb 0.55 1.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 3bzm n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bzm s SER 75 N -1.68 -0.41 0.29 3.42 1.04 -1.26 -1.03 113.70 114.06 3bzm s SER 75 Ca 0.35 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.74 3bzm s SER 75 Cb 0.22 0.53 0.45 0.00 0.10 0.00 0.00 66.02 67.31 3bzm s SER 75 CO 0.31 -0.87 1.72 0.25 0.98 0.00 0.00 173.24 175.63 3bzm h LEU 76 N 2.30 0.37 -0.29 2.42 6.46 -1.89 -1.96 115.31 122.72 3bzm h LEU 76 Ca -0.33 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.30 3bzm h LEU 76 Cb 1.27 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 3bzm h LEU 76 CO 0.42 0.68 0.17 0.44 -0.62 0.00 0.00 178.44 179.52 3bzm h ASP 77 N 0.32 0.27 -0.15 1.25 5.19 -1.95 0.66 116.42 122.00 3bzm h ASP 77 Ca 0.04 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 3bzm h ASP 77 Cb 0.72 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 3bzm h ASP 77 CO 0.06 0.20 -0.21 -0.61 -3.12 0.00 0.00 179.24 175.56 3bzm h GLN 78 N 0.34 0.58 -0.42 3.56 4.15 -1.92 -1.11 115.11 120.30 3bzm h GLN 78 Ca 0.12 -0.21 0.06 0.00 0.77 0.00 0.00 58.65 59.39 3bzm h GLN 78 Cb 0.01 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 3bzm h GLN 78 CO -0.06 0.75 0.09 0.00 -1.93 0.00 0.00 178.83 177.68 3bzm h ALA 79 N 1.26 0.46 -0.19 3.38 0.00 -0.73 -2.45 119.26 120.98 3bzm h ALA 79 Ca 0.08 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3bzm h ALA 79 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3bzm h ALA 79 CO 0.05 -0.31 -0.50 0.37 0.00 0.00 0.00 179.25 178.86 3bzm h GLN 80 N 0.22 0.68 -0.86 0.00 4.15 -0.44 -2.14 115.11 116.73 3bzm h GLN 80 Ca 0.20 -0.47 0.22 0.00 0.77 0.00 0.00 58.65 59.37 3bzm h GLN 80 Cb 0.24 0.07 -0.15 0.00 0.21 0.00 0.00 27.48 27.85 3bzm h GLN 80 CO -0.26 1.09 0.09 0.00 -1.93 0.00 0.00 178.83 177.82 3bzm h ARG 81 N 0.38 0.11 -0.05 1.69 3.08 -1.18 0.21 114.38 118.62 3bzm h ARG 81 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3bzm h ARG 81 Cb 1.11 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3bzm h ARG 81 CO 0.11 0.07 0.01 0.35 -1.07 0.00 0.00 179.97 179.44 3bzm h PHE 82 N 0.12 0.09 -0.81 3.04 3.57 -1.11 -2.95 116.94 118.89 3bzm h PHE 82 Ca 0.51 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 3bzm h PHE 82 Cb 0.99 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 3bzm h PHE 82 CO -0.39 0.32 0.50 -0.07 -2.23 0.00 0.00 178.31 176.44 3bzm h LEU 83 N -0.16 0.96 -1.42 0.59 3.38 -0.73 -2.80 115.31 115.13 3bzm h LEU 83 Ca 0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3bzm h LEU 83 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bzm h LEU 83 CO 0.00 0.73 -0.29 0.03 0.09 0.00 0.00 178.44 179.00 3bzm h ARG 84 N 1.11 0.00 0.00 1.13 3.08 -0.52 -0.40 114.38 118.78 3bzm h ARG 84 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3bzm h ARG 84 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3bzm h ARG 84 CO -0.06 0.29 0.00 1.04 -1.07 0.00 0.00 179.97 180.17 3bzm n GLN 85 N -3.99 0.41 -2.68 0.04 6.02 -1.06 -3.80 117.38 112.32 3bzm n GLN 85 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 3bzm n GLN 85 Cb 0.36 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.32 3bzm n GLN 85 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3bzm n HIS 86 N -0.83 1.24 0.01 1.08 8.25 -0.16 -4.98 115.22 119.83 3bzm n HIS 86 Ca 0.07 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.85 3bzm n HIS 86 Cb 0.03 -0.34 0.03 0.00 1.12 0.00 0.00 29.99 30.82 3bzm n HIS 86 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3bzm n PRO 87 N -0.17 0.01 0.10 -0.41 -0.04 -1.25 -0.79 135.00 132.44 3bzm n PRO 87 Ca 0.10 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3bzm n PRO 87 Cb 0.81 -1.58 0.42 0.00 -0.04 0.00 0.00 33.50 33.11 3bzm n PRO 87 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3bzm n GLU 88 N -1.48 0.25 -3.80 0.54 0.00 -1.26 -3.82 120.64 111.07 3bzm n GLU 88 Ca -0.00 0.20 -0.31 0.00 0.00 0.00 0.00 57.16 57.05 3bzm n GLU 88 Cb 0.06 -1.79 -0.10 0.00 0.00 0.00 0.00 31.44 29.62 3bzm n GLU 88 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3bzm s HIS 89 N -3.09 3.67 0.40 -1.84 3.76 0.03 -4.91 115.29 113.31 3bzm s HIS 89 Ca 0.11 -3.20 0.28 0.00 -0.15 0.00 0.00 55.06 52.10 3bzm s HIS 89 Cb 0.13 -2.93 1.44 0.00 1.11 0.00 0.00 32.58 32.32 3bzm s HIS 89 CO 0.59 -0.64 2.07 0.00 -0.85 0.00 0.00 174.74 175.91 3bzm h ALA 90 N 5.74 1.27 -0.61 -1.40 0.00 -1.78 -3.02 119.26 119.47 3bzm h ALA 90 Ca 0.13 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3bzm h ALA 90 Cb 0.79 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 3bzm h ALA 90 CO 0.77 0.15 0.19 -0.40 0.00 0.00 0.00 179.25 179.95 3bzm n ASP 91 N -3.62 4.32 -4.58 0.00 5.75 -1.26 -1.68 116.55 115.48 3bzm n ASP 91 Ca -0.02 -3.28 -0.42 0.00 -0.01 0.00 0.00 54.79 51.06 3bzm n ASP 91 Cb 0.24 -0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 39.58 3bzm n ASP 91 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3bzm s LEU 92 N -3.02 4.17 -0.04 -2.12 2.96 -1.14 -4.99 118.68 114.51 3bzm s LEU 92 Ca 0.52 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.64 3bzm s LEU 92 Cb 0.42 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 3bzm s LEU 92 CO 0.11 -0.73 0.16 -0.13 -1.32 0.00 0.00 176.35 174.44 3bzm s ARG 93 N 3.04 3.41 -0.07 1.98 0.52 -1.26 -4.31 118.95 122.24 3bzm s ARG 93 Ca 0.30 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.25 3bzm s ARG 93 Cb -0.13 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 3bzm s ARG 93 CO 0.17 0.70 -0.14 0.42 0.02 0.00 0.00 175.30 176.48 3bzm s ILE 94 N -1.22 3.07 -0.02 1.52 1.01 0.67 -4.62 121.20 121.61 3bzm s ILE 94 Ca 0.23 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3bzm s ILE 94 Cb -0.12 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3bzm s ILE 94 CO 0.14 0.57 -0.24 0.26 0.00 0.00 0.00 174.94 175.67 3bzm s TRP 95 N -0.40 2.18 -3.92 3.97 0.52 -0.58 -1.52 118.94 119.19 3bzm s TRP 95 Ca 0.05 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 55.74 3bzm s TRP 95 Cb -0.12 -1.41 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3bzm s TRP 95 CO 0.02 -0.05 0.00 0.41 0.02 0.00 0.00 176.95 177.35 3bzm n GLY 96 N 2.52 0.12 3.52 0.98 0.00 -0.63 -0.10 105.19 111.60 3bzm n GLY 96 Ca -0.16 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 3bzm n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bzm s LEU 97 N 0.00 2.80 -0.02 0.99 1.43 -0.67 -1.67 118.68 121.54 3bzm s LEU 97 Ca 0.00 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3bzm s LEU 97 Cb 0.00 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3bzm s LEU 97 CO 0.00 0.17 -0.21 0.20 0.23 0.00 0.00 176.35 176.74 3bzm s ASN 98 N -2.24 3.48 0.84 2.29 0.01 0.23 -0.46 114.94 119.08 3bzm s ASN 98 Ca 0.20 -0.38 -0.13 0.00 -0.71 0.00 0.00 52.86 51.84 3bzm s ASN 98 Cb -0.10 -0.54 0.11 0.00 0.41 0.00 0.00 41.25 41.12 3bzm s ASN 98 CO 0.11 0.32 1.20 0.00 -1.51 0.00 0.00 177.10 177.22 3bzm s ALA 99 N -0.70 2.59 0.31 0.60 0.00 0.12 -1.76 121.76 122.92 3bzm s ALA 99 Ca 0.11 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3bzm s ALA 99 Cb -0.10 -2.89 0.63 0.00 0.00 0.00 0.00 23.12 20.76 3bzm s ALA 99 CO 0.00 -1.83 1.87 0.35 0.00 0.00 0.00 175.76 176.15 3bzm h PHE 100 N -1.16 1.01 -3.59 0.00 3.57 -1.29 -3.30 116.94 112.17 3bzm h PHE 100 Ca -0.45 0.03 -0.56 0.00 3.53 0.00 0.00 57.97 60.51 3bzm h PHE 100 Cb 1.31 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 3bzm h PHE 100 CO -0.02 0.43 0.93 0.34 -2.23 0.00 0.00 178.31 177.76 3bzm s ASP 101 N -5.82 6.66 0.22 0.41 2.15 -1.26 -4.62 116.67 114.41 3bzm s ASP 101 Ca -0.11 0.62 0.23 0.00 0.43 0.00 0.00 52.55 53.72 3bzm s ASP 101 Cb 0.21 -2.55 0.93 0.00 -0.30 0.00 0.00 42.92 41.22 3bzm s ASP 101 CO 0.80 -1.20 1.70 -0.81 -0.17 0.00 0.00 175.17 175.48 3bzm n PRO 102 N 7.69 0.18 0.00 4.34 -0.04 -1.24 -1.71 135.00 144.22 3bzm n PRO 102 Ca 0.12 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 64.05 3bzm n PRO 102 Cb 0.48 -1.82 0.50 0.00 -0.04 0.00 0.00 33.50 32.62 3bzm n PRO 102 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3bzm n SER 103 N -2.15 0.00 -4.14 3.54 7.64 -1.26 -4.66 113.62 112.59 3bzm n SER 103 Ca 0.03 -0.36 -0.30 0.00 1.01 0.00 0.00 58.87 59.25 3bzm n SER 103 Cb 0.25 -0.09 -0.17 0.00 -1.01 0.00 0.00 64.21 63.19 3bzm n SER 103 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3bzm s GLN 104 N -2.19 2.60 0.15 1.43 -1.52 -0.69 -4.67 119.66 114.77 3bzm s GLN 104 Ca 0.23 -0.72 -0.00 0.00 -1.95 0.00 0.00 55.36 52.92 3bzm s GLN 104 Cb 0.12 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.81 3bzm s GLN 104 CO 0.22 0.07 0.05 0.20 -0.25 0.00 0.00 175.29 175.58 3bzm s GLY 105 N 0.62 1.09 -0.31 3.09 0.00 -0.20 0.11 107.32 111.71 3bzm s GLY 105 Ca -0.14 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.04 3bzm s GLY 105 CO 0.04 -1.40 0.13 0.21 0.00 0.00 0.00 173.10 172.07 3bzm s ASN 106 N -3.09 3.75 0.12 1.64 3.84 0.39 -4.22 114.94 117.37 3bzm s ASN 106 Ca 0.26 -1.60 0.05 0.00 0.21 0.00 0.00 52.86 51.78 3bzm s ASN 106 Cb 0.07 -0.64 -0.04 0.00 -0.55 0.00 0.00 41.25 40.09 3bzm s ASN 106 CO 0.03 -0.41 -0.12 -0.76 -2.79 0.00 0.00 177.10 173.06 3bzm s LEU 107 N 1.70 2.44 0.03 3.21 1.43 -0.82 -1.67 118.68 125.00 3bzm s LEU 107 Ca 0.10 -0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 3bzm s LEU 107 Cb -0.18 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 3bzm s LEU 107 CO -0.27 -0.23 0.12 -1.48 0.23 0.00 0.00 176.35 174.72 3bzm s LEU 108 N -2.65 1.68 -0.42 1.79 2.34 0.86 -1.03 118.68 121.25 3bzm s LEU 108 Ca 0.10 -0.45 -0.19 0.00 0.06 0.00 0.00 54.13 53.66 3bzm s LEU 108 Cb -0.02 0.68 0.02 0.00 -0.56 0.00 0.00 46.19 46.31 3bzm s LEU 108 CO 0.01 -0.50 0.51 -0.22 -1.06 0.00 0.00 176.35 175.10 3bzm s LEU 109 N -2.00 4.71 0.33 1.48 0.20 -0.55 -1.53 118.68 121.34 3bzm s LEU 109 Ca -0.07 -0.53 -0.22 0.00 0.69 0.00 0.00 54.13 54.00 3bzm s LEU 109 Cb -0.02 -2.52 -0.10 0.00 -0.43 0.00 0.00 46.19 43.12 3bzm s LEU 109 CO -0.03 -0.65 0.87 -2.16 -0.29 0.00 0.00 176.35 174.09 3bzm s PRO 110 N 2.39 4.34 0.15 0.98 0.04 -1.26 -1.57 135.00 140.07 3bzm s PRO 110 Ca 0.16 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 3bzm s PRO 110 Cb -0.16 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.83 3bzm s PRO 110 CO 0.16 0.20 1.67 -0.09 0.04 0.00 0.00 177.00 178.97 3bzm h ARG 111 N 2.75 -0.07 -4.72 4.56 9.65 0.11 -3.41 114.38 123.25 3bzm h ARG 111 Ca -0.48 0.00 -0.44 0.00 -1.10 0.00 0.00 59.98 57.97 3bzm h ARG 111 Cb 1.19 0.02 -0.31 0.00 -1.39 0.00 0.00 29.97 29.48 3bzm h ARG 111 CO 0.64 -0.05 -0.79 -1.17 2.80 0.00 0.00 179.97 181.40 3bzm s LEU 112 N -10.53 1.84 -0.14 3.80 2.96 -1.07 -2.29 118.68 113.24 3bzm s LEU 112 Ca -0.14 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3bzm s LEU 112 Cb 0.13 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.27 3bzm s LEU 112 CO 0.69 0.09 0.00 -0.70 -1.32 0.00 0.00 176.35 175.11 3bzm s GLU 113 N 0.10 0.81 -0.09 1.98 2.12 -0.65 -1.14 118.70 121.84 3bzm s GLU 113 Ca -0.02 -0.25 -0.14 0.00 0.36 0.00 0.00 54.97 54.92 3bzm s GLU 113 Cb -0.08 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.58 3bzm s GLU 113 CO 0.00 -0.47 0.34 -0.46 -0.54 0.00 0.00 175.26 174.13 3bzm s TRP 114 N 1.85 3.58 -0.10 5.30 -0.00 -0.66 -0.40 118.94 128.51 3bzm s TRP 114 Ca 0.02 0.77 -0.04 0.00 -0.00 0.00 0.00 56.10 56.84 3bzm s TRP 114 Cb -0.15 -2.29 0.05 0.00 -0.00 0.00 0.00 33.47 31.08 3bzm s TRP 114 CO -0.07 0.45 0.22 0.50 -0.00 0.00 0.00 176.95 178.04 3bzm s ARG 115 N -0.28 0.15 -0.15 5.86 3.52 -0.55 -1.16 118.95 126.35 3bzm s ARG 115 Ca 0.20 0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 56.29 3bzm s ARG 115 Cb -0.14 -0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 3bzm s ARG 115 CO 0.08 -0.20 0.04 0.50 -0.81 0.00 0.00 175.30 174.91 3bzm s ARG 116 N 1.58 3.65 -0.77 5.12 3.52 -0.29 -1.27 118.95 130.49 3bzm s ARG 116 Ca -0.06 -0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 3bzm s ARG 116 Cb -0.11 -3.06 0.20 0.00 -1.56 0.00 0.00 34.95 30.41 3bzm s ARG 116 CO -0.08 0.42 0.63 0.00 -0.81 0.00 0.00 175.30 175.47 3bzm n GLY 118 N 3.08 1.67 0.05 0.00 0.00 0.41 -1.87 105.19 108.53 3bzm n GLY 118 Ca 0.14 0.26 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 3bzm n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bzm n GLY 119 N 0.00 -0.77 3.78 -0.02 0.00 -1.26 -4.98 105.19 101.93 3bzm n GLY 119 Ca 0.00 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3bzm n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bzm s LYS 120 N -2.69 3.17 0.17 1.61 1.02 -0.78 -4.79 119.74 117.44 3bzm s LYS 120 Ca -0.07 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 55.67 3bzm s LYS 120 Cb 0.07 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3bzm s LYS 120 CO 0.66 0.72 -0.15 0.00 -0.92 0.00 0.00 175.35 175.66 3bzm s ALA 121 N -1.01 1.85 -0.04 5.17 0.00 -1.25 -0.22 121.76 126.26 3bzm s ALA 121 Ca 0.16 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 3bzm s ALA 121 Cb -0.12 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3bzm s ALA 121 CO 0.06 0.10 0.09 0.99 0.00 0.00 0.00 175.76 176.99 3bzm s THR 122 N -2.63 -0.05 -0.27 0.00 2.01 -0.39 -0.69 115.64 113.62 3bzm s THR 122 Ca 0.18 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 3bzm s THR 122 Cb -0.02 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 3bzm s THR 122 CO 0.05 0.07 0.27 -0.22 -0.69 0.00 0.00 174.62 174.11 3bzm s LEU 123 N 1.00 4.03 -0.13 4.42 2.96 0.88 -1.47 118.68 130.37 3bzm s LEU 123 Ca -0.08 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 3bzm s LEU 123 Cb -0.11 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3bzm s LEU 123 CO -0.04 -0.11 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.15 3bzm s ARG 124 N 1.87 3.39 -0.14 1.98 3.52 0.46 0.03 118.95 130.07 3bzm s ARG 124 Ca 0.11 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.01 3bzm s ARG 124 Cb -0.16 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 3bzm s ARG 124 CO 0.10 0.20 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.55 3bzm s LEU 125 N 0.38 3.02 0.08 -0.88 2.96 0.28 -1.63 118.68 122.89 3bzm s LEU 125 Ca -0.10 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3bzm s LEU 125 Cb -0.16 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3bzm s LEU 125 CO 0.05 0.18 -0.20 0.42 -1.32 0.00 0.00 176.35 175.48 3bzm s THR 126 N 0.30 2.71 -0.05 3.68 -4.23 -0.97 0.42 115.64 117.50 3bzm s THR 126 Ca -0.06 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3bzm s THR 126 Cb -0.15 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 3bzm s THR 126 CO 0.04 0.23 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.39 3bzm s LEU 127 N -1.73 2.39 -0.03 4.79 1.43 -0.41 -4.84 118.68 120.29 3bzm s LEU 127 Ca 0.15 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3bzm s LEU 127 Cb -0.10 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.67 3bzm s LEU 127 CO 0.07 0.30 0.17 0.12 0.23 0.00 0.00 176.35 177.24 3bzm s PHE 128 N -0.50 -0.09 -0.19 0.29 5.36 -1.26 -0.00 117.98 121.58 3bzm s PHE 128 Ca 0.06 0.19 -0.13 0.00 -0.96 0.00 0.00 56.93 56.10 3bzm s PHE 128 Cb -0.11 0.02 0.06 0.00 -0.34 0.00 0.00 43.02 42.64 3bzm s PHE 128 CO 0.01 -0.20 0.48 0.45 -1.46 0.00 0.00 175.22 174.50 3bzm s SER 129 N -0.67 -0.58 0.48 6.13 0.15 -0.80 -4.85 113.70 113.56 3bzm s SER 129 Ca -0.08 1.02 0.33 0.00 0.70 0.00 0.00 55.95 57.92 3bzm s SER 129 Cb -0.04 0.94 1.63 0.00 -1.71 0.00 0.00 66.02 66.84 3bzm s SER 129 CO 0.01 -0.19 1.99 -0.33 1.20 0.00 0.00 173.24 175.92 3bzm h GLU 130 N 6.45 0.00 0.00 5.44 4.39 -1.97 -2.74 114.58 126.16 3bzm h GLU 130 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3bzm h GLU 130 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3bzm h GLU 130 CO 0.24 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.52 3bzm n SER 131 N -2.71 0.79 -3.63 1.42 7.64 -1.26 -4.58 113.62 111.28 3bzm n SER 131 Ca -0.01 0.17 -0.19 0.00 1.01 0.00 0.00 58.87 59.84 3bzm n SER 131 Cb 0.13 -0.19 -0.16 0.00 -1.01 0.00 0.00 64.21 62.98 3bzm n SER 131 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3bzm s SER 132 N -5.70 1.20 0.34 6.43 0.15 -1.26 -1.07 113.70 113.79 3bzm s SER 132 Ca 0.00 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.74 3bzm s SER 132 Cb 0.00 0.10 0.70 0.00 -1.71 0.00 0.00 66.02 65.11 3bzm s SER 132 CO 0.00 -0.28 1.90 -0.07 1.20 0.00 0.00 173.24 175.99 3bzm h LEU 133 N 8.39 0.75 -0.80 3.45 3.38 -1.32 -2.60 115.31 126.55 3bzm h LEU 133 Ca -0.14 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3bzm h LEU 133 Cb 1.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3bzm h LEU 133 CO 0.19 0.43 0.36 -0.61 0.09 0.00 0.00 178.44 178.90 3bzm h GLN 134 N 0.82 1.17 0.50 1.13 -0.00 -1.68 0.97 115.11 118.02 3bzm h GLN 134 Ca 0.41 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.65 58.84 3bzm h GLN 134 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.74 3bzm h GLN 134 CO -0.17 0.92 -0.24 1.25 0.00 0.00 0.00 178.83 180.59 3bzm h HIS 135 N 1.14 -0.63 0.00 3.99 2.76 -1.80 -2.65 115.15 117.97 3bzm h HIS 135 Ca 0.27 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3bzm h HIS 135 Cb 0.16 0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 3bzm h HIS 135 CO 0.02 -0.38 -0.09 0.22 -1.30 0.00 0.00 177.93 176.40 3bzm h ASP 136 N -0.70 0.00 -0.58 3.26 1.82 -1.34 -1.57 116.42 117.31 3bzm h ASP 136 Ca -0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 3bzm h ASP 136 Cb 0.53 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 3bzm h ASP 136 CO 0.11 0.09 0.29 0.00 -1.61 0.00 0.00 179.24 178.12 3bzm h ALA 137 N 1.91 1.36 0.37 -0.78 0.00 -0.46 -0.68 119.26 120.97 3bzm h ALA 137 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3bzm h ALA 137 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3bzm h ALA 137 CO 0.01 0.50 -0.20 0.82 0.00 0.00 0.00 179.25 180.38 3bzm h ILE 138 N 0.86 0.58 -0.82 0.00 2.04 -1.04 -0.45 117.51 118.69 3bzm h ILE 138 Ca 0.21 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.25 3bzm h ILE 138 Cb 0.10 0.58 -0.11 0.00 -0.74 0.00 0.00 36.82 36.65 3bzm h ILE 138 CO -0.03 0.00 0.32 1.56 0.00 0.00 0.00 178.15 180.00 3bzm h GLN 139 N -0.53 0.39 -0.48 2.37 4.20 -1.31 -0.81 115.11 118.93 3bzm h GLN 139 Ca -0.04 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3bzm h GLN 139 Cb 0.42 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3bzm h GLN 139 CO 0.06 0.26 0.09 0.00 -0.67 0.00 0.00 178.83 178.56 3bzm h ALA 140 N 1.63 0.63 -0.50 3.87 0.00 -0.93 0.19 119.26 124.15 3bzm h ALA 140 Ca 0.48 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3bzm h ALA 140 Cb 0.83 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3bzm h ALA 140 CO -0.48 0.35 0.27 0.87 0.00 0.00 0.00 179.25 180.26 3bzm h LYS 141 N 0.66 0.52 -0.57 0.00 1.57 0.01 0.37 116.57 119.13 3bzm h LYS 141 Ca 0.15 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3bzm h LYS 141 Cb 0.37 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3bzm h LYS 141 CO 0.01 0.35 -0.06 0.93 -0.57 0.00 0.00 179.45 180.10 3bzm h GLU 142 N 0.54 1.04 -0.42 3.15 5.08 -0.87 -2.31 114.58 120.79 3bzm h GLU 142 Ca 0.21 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3bzm h GLU 142 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3bzm h GLU 142 CO -0.12 1.05 0.13 0.35 -1.00 0.00 0.00 179.01 179.42 3bzm h PHE 143 N 0.94 0.68 -0.85 4.33 3.57 -0.05 -1.77 116.94 123.79 3bzm h PHE 143 Ca 0.15 -0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.72 3bzm h PHE 143 Cb 0.63 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 3bzm h PHE 143 CO 0.04 0.63 0.45 0.82 -2.23 0.00 0.00 178.31 178.01 3bzm h ILE 144 N 0.54 0.76 0.00 1.41 2.04 -0.74 -2.14 117.51 119.38 3bzm h ILE 144 Ca 0.14 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3bzm h ILE 144 Cb 0.26 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3bzm h ILE 144 CO -0.00 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.27 3bzm n ALA 145 N -2.41 1.41 0.11 1.87 0.00 -0.70 -1.46 120.51 119.33 3bzm n ALA 145 Ca 0.17 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.82 3bzm n ALA 145 Cb 0.41 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.51 3bzm n ALA 145 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3bzm h THR 146 N 0.00 0.24 -3.87 0.00 2.02 -1.04 -3.47 112.91 106.79 3bzm h THR 146 Ca 0.00 -1.42 -0.51 0.00 0.77 0.00 0.00 66.41 65.25 3bzm h THR 146 Cb 0.22 1.85 0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3bzm h THR 146 CO 0.00 0.14 0.54 -0.76 0.37 0.00 0.00 175.52 175.81 3bzm s LEU 147 N -5.77 4.40 0.36 2.58 1.43 -0.54 -4.88 118.68 116.27 3bzm s LEU 147 Ca 0.01 2.45 0.08 0.00 -1.03 0.00 0.00 54.13 55.64 3bzm s LEU 147 Cb 0.08 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3bzm s LEU 147 CO 0.77 -0.44 0.07 0.54 0.23 0.00 0.00 176.35 177.52 3bzm s VAL 148 N -1.23 2.53 0.66 -1.59 0.11 -1.26 -5.10 120.40 114.52 3bzm s VAL 148 Ca 0.50 -1.87 -0.17 0.00 -2.93 0.00 0.00 61.98 57.50 3bzm s VAL 148 Cb -0.34 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 3bzm s VAL 148 CO 0.45 -0.13 1.26 -0.94 -3.33 0.00 0.00 175.10 172.41 3bzm s SER 149 N -3.78 4.55 0.06 3.54 1.04 -1.26 -4.89 113.70 112.96 3bzm s SER 149 Ca 0.37 2.52 -0.30 0.00 0.48 0.00 0.00 55.95 59.02 3bzm s SER 149 Cb 0.02 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 3bzm s SER 149 CO 0.20 -2.03 1.95 -0.63 0.98 0.00 0.00 173.24 173.71 3bzm s ILE 150 N -1.58 2.90 0.05 -1.02 1.01 -1.26 -4.91 121.20 116.40 3bzm s ILE 150 Ca 0.80 0.00 0.01 0.00 0.00 0.00 0.00 60.65 61.46 3bzm s ILE 150 Cb -0.34 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3bzm s ILE 150 CO 0.40 -0.00 0.14 -0.54 0.00 0.00 0.00 174.94 174.95 3bzm s LYS 151 N 4.15 3.20 0.32 2.79 -0.14 -1.26 -5.07 119.74 123.73 3bzm s LYS 151 Ca 0.88 -0.52 -0.27 0.00 -1.36 0.00 0.00 55.97 54.70 3bzm s LYS 151 Cb -0.44 -2.92 -0.14 0.00 -1.68 0.00 0.00 37.83 32.66 3bzm s LYS 151 CO 0.41 0.61 0.92 -2.30 -0.76 0.00 0.00 175.35 174.23 3bzm n PRO 152 N 0.54 1.17 -1.76 -1.68 -0.02 -1.26 -4.81 135.00 127.18 3bzm n PRO 152 Ca -0.08 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3bzm n PRO 152 Cb 0.52 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.21 3bzm n PRO 152 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3bzm n LEU 153 N 1.17 4.48 -4.72 2.45 7.94 -1.26 -4.95 117.00 122.12 3bzm n LEU 153 Ca 0.10 1.20 -0.29 0.00 -1.11 0.00 0.00 56.01 55.91 3bzm n LEU 153 Cb 0.33 -1.59 0.15 0.00 0.53 0.00 0.00 43.42 42.85 3bzm n LEU 153 CO 0.59 0.08 0.67 -2.84 -1.11 0.00 0.00 177.39 174.77 3bzm s PRO 154 N -1.53 0.84 0.41 1.96 0.02 -1.26 -4.99 135.00 130.45 3bzm s PRO 154 Ca 0.57 0.53 -0.15 0.00 0.02 0.00 0.00 61.00 61.98 3bzm s PRO 154 Cb -0.50 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.16 3bzm s PRO 154 CO 0.59 -2.46 0.84 0.20 -0.33 0.00 0.00 177.00 175.84 3bzm s GLY 155 N -3.60 2.15 0.27 0.52 0.00 -1.26 -4.74 107.32 100.66 3bzm s GLY 155 Ca 0.64 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 45.17 3bzm s GLY 155 CO 0.56 0.29 0.88 1.08 0.00 0.00 0.00 173.10 175.92 3bzm s LEU 156 N -3.56 4.43 0.06 0.66 1.02 -1.26 -4.74 118.68 115.29 3bzm s LEU 156 Ca 0.56 1.76 0.08 0.00 0.02 0.00 0.00 54.13 56.55 3bzm s LEU 156 Cb -0.10 -3.77 -0.03 0.00 0.02 0.00 0.00 46.19 42.30 3bzm s LEU 156 CO 0.24 0.03 -0.18 -1.00 0.02 0.00 0.00 176.35 175.47 3bzm s HIS 157 N -1.46 2.56 -0.83 0.29 3.76 -1.26 -5.04 115.29 113.30 3bzm s HIS 157 Ca 0.45 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 55.18 3bzm s HIS 157 Cb -0.20 -1.43 0.11 0.00 1.11 0.00 0.00 32.58 32.17 3bzm s HIS 157 CO 0.25 0.29 0.89 1.28 -0.85 0.00 0.00 174.74 176.61 3bzm n LEU 158 N 1.32 1.98 -4.60 0.89 4.32 -1.26 -4.97 117.00 114.68 3bzm n LEU 158 Ca -0.16 -1.35 -0.43 0.00 -0.02 0.00 0.00 56.01 54.05 3bzm n LEU 158 Cb 0.52 -0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 3bzm n LEU 158 CO 0.27 0.44 1.09 -0.89 -1.22 0.00 0.00 177.39 177.09 3bzm s THR 159 N -0.76 4.12 -0.04 -5.08 2.01 -1.26 -4.90 115.64 109.72 3bzm s THR 159 Ca 0.11 1.15 -0.20 0.00 0.31 0.00 0.00 61.69 63.06 3bzm s THR 159 Cb 0.07 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 3bzm s THR 159 CO 0.10 -0.91 0.55 -0.89 -0.69 0.00 0.00 174.62 172.78 3bzm s THR 160 N 4.74 5.02 -0.17 -0.82 2.01 -1.26 -2.06 115.64 123.10 3bzm s THR 160 Ca 0.52 1.14 0.16 0.00 0.31 0.00 0.00 61.69 63.82 3bzm s THR 160 Cb -0.09 -3.89 -0.24 0.00 0.01 0.00 0.00 72.50 68.29 3bzm s THR 160 CO 0.31 0.39 0.20 0.41 -0.69 0.00 0.00 174.62 175.24 3bzm n THR 161 N 3.03 1.44 -3.69 -0.82 -1.04 0.29 -4.88 114.28 108.61 3bzm n THR 161 Ca -0.07 -0.84 -0.07 0.00 -2.04 0.00 0.00 64.05 61.03 3bzm n THR 161 Cb 0.51 -0.60 -0.02 0.00 -1.82 0.00 0.00 70.33 68.40 3bzm n THR 161 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3bzm s ARG 162 N -2.51 1.38 -0.23 -2.82 3.52 -1.14 -5.00 118.95 112.15 3bzm s ARG 162 Ca -0.09 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.78 3bzm s ARG 162 Cb 0.06 0.52 0.11 0.00 -1.56 0.00 0.00 34.95 34.08 3bzm s ARG 162 CO 0.83 -0.63 0.24 -2.00 -0.81 0.00 0.00 175.30 172.93 3bzm s GLU 163 N -3.59 0.23 -0.10 5.12 2.12 -1.26 -1.94 118.70 119.27 3bzm s GLU 163 Ca 0.09 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.46 3bzm s GLU 163 Cb -0.03 -1.05 -0.03 0.00 0.26 0.00 0.00 34.13 33.28 3bzm s GLU 163 CO -0.01 -0.78 -0.07 -1.14 -0.54 0.00 0.00 175.26 172.72 3bzm s GLN 164 N 2.32 3.14 -0.08 4.30 2.00 -0.37 -4.97 119.66 125.99 3bzm s GLN 164 Ca 0.08 -0.56 -0.05 0.00 -2.00 0.00 0.00 55.36 52.83 3bzm s GLN 164 Cb -0.15 -2.70 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 3bzm s GLN 164 CO -0.20 0.47 0.12 -1.01 -0.50 0.00 0.00 175.29 174.17 3bzm s HIS 165 N -0.27 3.50 -0.27 1.67 3.76 -1.26 0.35 115.29 122.77 3bzm s HIS 165 Ca 0.04 0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.36 3bzm s HIS 165 Cb -0.13 -1.88 0.08 0.00 1.11 0.00 0.00 32.58 31.77 3bzm s HIS 165 CO 0.02 0.67 0.06 -1.58 -0.85 0.00 0.00 174.74 173.06 3bzm s TRP 166 N -1.08 1.67 0.49 1.40 0.52 0.98 -2.49 118.94 120.42 3bzm s TRP 166 Ca 0.18 -1.54 -0.13 0.00 0.02 0.00 0.00 56.10 54.62 3bzm s TRP 166 Cb -0.12 -1.55 -0.07 0.00 -1.15 0.00 0.00 33.47 30.59 3bzm s TRP 166 CO 0.07 -0.80 0.91 -1.25 0.02 0.00 0.00 176.95 175.90 3bzm s PRO 167 N 1.64 3.83 0.97 4.98 0.04 -1.26 -0.26 135.00 144.94 3bzm s PRO 167 Ca 0.05 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 61.66 3bzm s PRO 167 Cb -0.17 -2.23 0.25 0.00 0.04 0.00 0.00 34.50 32.38 3bzm s PRO 167 CO -0.18 -0.22 0.73 -0.40 0.04 0.00 0.00 177.00 176.97 3bzm n ASP 168 N -1.63 -2.53 -0.16 6.66 3.85 -1.04 -4.61 116.55 117.08 3bzm n ASP 168 Ca 0.05 -0.85 -0.05 0.00 -0.71 0.00 0.00 54.79 53.24 3bzm n ASP 168 Cb 0.54 -0.73 0.05 0.00 -1.35 0.00 0.00 41.12 39.63 3bzm n ASP 168 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3bzm h LYS 169 N 0.00 0.48 -0.17 0.11 1.57 -1.99 0.24 116.57 116.82 3bzm h LYS 169 Ca -0.29 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 3bzm h LYS 169 Cb 0.94 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3bzm h LYS 169 CO 0.19 0.32 -0.25 1.15 -0.57 0.00 0.00 179.45 180.29 3bzm h THR 170 N 0.50 1.35 0.00 -0.16 2.02 -2.00 -2.66 112.91 111.96 3bzm h THR 170 Ca 0.22 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 3bzm h THR 170 Cb 0.12 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3bzm h THR 170 CO -0.15 0.44 -0.03 1.23 0.37 0.00 0.00 175.52 177.38 3bzm h GLY 171 N 0.11 0.00 0.73 2.16 0.00 -1.86 0.17 103.07 104.37 3bzm h GLY 171 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3bzm h GLY 171 CO 0.06 0.00 -0.06 -0.25 0.00 0.00 0.00 176.54 176.29 3bzm h TRP 172 N 0.00 0.32 -0.18 5.60 2.91 -0.33 -0.96 115.95 123.31 3bzm h TRP 172 Ca -0.00 -0.08 -0.07 0.00 1.13 0.00 0.00 58.89 59.87 3bzm h TRP 172 Cb 0.07 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 3bzm h TRP 172 CO 0.00 0.61 -0.15 1.15 -1.03 0.00 0.00 178.44 179.02 3bzm h THR 173 N -0.06 1.33 -0.86 2.65 2.02 -1.07 0.53 112.91 117.45 3bzm h THR 173 Ca 0.03 -1.28 0.15 0.00 0.77 0.00 0.00 66.41 66.08 3bzm h THR 173 Cb 0.52 1.76 -0.15 0.00 -1.74 0.00 0.00 68.15 68.54 3bzm h THR 173 CO 0.02 0.38 -0.31 -0.61 0.37 0.00 0.00 175.52 175.37 3bzm h GLN 174 N 0.09 -0.04 -0.19 6.66 4.15 -0.75 0.88 115.11 125.92 3bzm h GLN 174 Ca 0.03 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.26 3bzm h GLN 174 Cb 0.67 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.38 3bzm h GLN 174 CO 0.04 -0.02 -0.67 1.25 -1.93 0.00 0.00 178.83 177.50 3bzm h LEU 175 N -0.04 0.91 -0.31 -2.39 5.85 -0.96 -2.84 115.31 115.52 3bzm h LEU 175 Ca 0.35 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3bzm h LEU 175 Cb 0.61 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3bzm h LEU 175 CO -0.89 1.36 0.07 0.40 -0.34 0.00 0.00 178.44 179.03 3bzm h ILE 176 N 0.51 1.22 0.00 4.05 1.08 0.66 -1.23 117.51 123.81 3bzm h ILE 176 Ca -0.03 -0.76 -0.13 0.00 -0.39 0.00 0.00 64.86 63.55 3bzm h ILE 176 Cb 1.29 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 3bzm h ILE 176 CO 0.14 0.25 -0.61 -0.33 -0.69 0.00 0.00 178.15 176.91 3bzm h GLU 177 N 0.35 0.00 -0.90 2.37 5.08 -0.97 -0.96 114.58 119.54 3bzm h GLU 177 Ca 0.10 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3bzm h GLU 177 Cb 0.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3bzm h GLU 177 CO 0.00 0.61 0.57 1.25 -1.00 0.00 0.00 179.01 180.45 3bzm h LEU 178 N 0.00 0.93 -0.45 1.33 5.85 -1.37 -1.21 115.31 120.39 3bzm h LEU 178 Ca -0.01 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3bzm h LEU 178 Cb 1.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3bzm h LEU 178 CO 0.08 0.62 -0.77 0.00 -0.34 0.00 0.00 178.44 178.02 3bzm h ALA 179 N 1.39 0.70 0.00 1.25 0.00 0.03 -1.94 119.26 120.69 3bzm h ALA 179 Ca 0.37 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 3bzm h ALA 179 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3bzm h ALA 179 CO -0.14 0.91 -0.83 1.79 0.00 0.00 0.00 179.25 180.98 3bzm h THR 180 N 0.05 1.14 -0.03 0.00 1.35 -1.18 0.23 112.91 114.46 3bzm h THR 180 Ca -0.02 -2.66 0.04 0.00 -0.55 0.00 0.00 66.41 63.22 3bzm h THR 180 Cb 1.36 2.54 -0.05 0.00 -1.73 0.00 0.00 68.15 70.27 3bzm h THR 180 CO 0.11 0.65 -0.27 0.11 -0.25 0.00 0.00 175.52 175.87 3bzm h LYS 181 N 0.00 -0.38 -0.62 4.72 1.57 -1.07 0.49 116.57 121.28 3bzm h LYS 181 Ca -0.04 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3bzm h LYS 181 Cb 1.58 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.95 3bzm h LYS 181 CO 0.09 -0.25 0.06 1.15 -0.57 0.00 0.00 179.45 179.93 3bzm h THR 182 N -0.39 1.26 -0.12 -0.16 2.02 -1.21 -2.33 112.91 111.98 3bzm h THR 182 Ca 0.07 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 3bzm h THR 182 Cb 0.49 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3bzm h THR 182 CO -0.26 0.40 0.05 0.40 0.37 0.00 0.00 175.52 176.47 3bzm h ILE 183 N 0.97 1.15 -0.62 3.11 1.08 -0.77 -3.00 117.51 119.43 3bzm h ILE 183 Ca 0.19 -0.46 0.06 0.00 -0.39 0.00 0.00 64.86 64.25 3bzm h ILE 183 Cb 0.48 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.40 3bzm h ILE 183 CO 0.02 0.14 -0.36 0.00 -0.69 0.00 0.00 178.15 177.25 3bzm n ALA 184 N -2.22 -0.39 0.02 1.87 0.00 0.17 -3.83 120.51 116.13 3bzm n ALA 184 Ca -0.05 0.52 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 3bzm n ALA 184 Cb 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 3bzm n ALA 184 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3bzm h GLU 185 N 0.00 -0.00 0.00 0.00 5.08 -1.40 -3.49 114.58 114.77 3bzm h GLU 185 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3bzm h GLU 185 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3bzm h GLU 185 CO -0.58 -0.00 0.00 0.41 -1.00 0.00 0.00 179.01 177.84 3bzm n GLY 186 N -1.11 4.25 1.62 -3.84 0.00 -1.14 -5.04 105.19 99.93 3bzm n GLY 186 Ca -0.06 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 3bzm n GLY 186 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bzm n GLU 187 N 0.00 2.85 -3.35 1.61 1.02 -1.26 -4.92 120.64 116.60 3bzm n GLU 187 Ca 0.00 -3.06 -0.30 0.00 -0.02 0.00 0.00 57.16 53.78 3bzm n GLU 187 Cb 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 3bzm n GLU 187 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3bzm s LEU 188 N -3.08 4.09 0.13 -4.62 2.96 -1.26 -4.48 118.68 112.42 3bzm s LEU 188 Ca 0.50 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 3bzm s LEU 188 Cb 0.42 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.51 3bzm s LEU 188 CO 0.09 -0.16 0.00 0.47 -1.32 0.00 0.00 176.35 175.43 3bzm n ASP 189 N -0.64 0.12 -4.30 3.68 8.00 -0.96 -4.71 116.55 117.74 3bzm n ASP 189 Ca -0.01 0.21 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 3bzm n ASP 189 Cb 0.53 0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.58 3bzm n ASP 189 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3bzm s LYS 190 N -2.00 3.27 -0.08 -1.24 2.20 -0.85 -4.33 119.74 116.72 3bzm s LYS 190 Ca 0.00 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 3bzm s LYS 190 Cb 0.00 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 3bzm s LYS 190 CO 0.00 0.10 -0.08 0.54 -0.36 0.00 0.00 175.35 175.55 3bzm s VAL 191 N 0.62 0.91 -0.21 4.02 0.11 -0.73 -0.84 120.40 124.27 3bzm s VAL 191 Ca -0.08 -0.30 -0.21 0.00 -2.93 0.00 0.00 61.98 58.46 3bzm s VAL 191 Cb -0.16 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 3bzm s VAL 191 CO 0.03 0.32 0.65 -0.69 -3.33 0.00 0.00 175.10 172.08 3bzm s VAL 192 N 1.14 5.00 0.09 2.04 1.01 0.99 -1.42 120.40 129.25 3bzm s VAL 192 Ca -0.06 1.21 0.10 0.00 0.00 0.00 0.00 61.98 63.22 3bzm s VAL 192 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3bzm s VAL 192 CO -0.01 0.08 -0.26 -0.76 0.00 0.00 0.00 175.10 174.14 3bzm s LEU 193 N 2.12 2.25 0.28 3.92 1.43 -0.37 -4.76 118.68 123.55 3bzm s LEU 193 Ca 0.29 -0.68 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 3bzm s LEU 193 Cb -0.16 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 3bzm s LEU 193 CO 0.10 0.20 -0.00 0.00 0.23 0.00 0.00 176.35 176.88 3bzm s ALA 194 N -0.95 3.17 0.10 4.21 0.00 -1.26 -0.77 121.76 126.25 3bzm s ALA 194 Ca 0.13 -1.70 0.10 0.00 0.00 0.00 0.00 51.96 50.49 3bzm s ALA 194 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3bzm s ALA 194 CO 0.04 0.24 -0.25 0.50 0.00 0.00 0.00 175.76 176.29 3bzm s ARG 195 N -3.68 1.43 -0.10 0.00 3.52 0.26 -4.58 118.95 115.80 3bzm s ARG 195 Ca 0.32 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 3bzm s ARG 195 Cb -0.06 -1.77 -0.02 0.00 -1.56 0.00 0.00 34.95 31.54 3bzm s ARG 195 CO 0.20 0.43 -0.10 0.00 -0.81 0.00 0.00 175.30 175.02 3bzm s ALA 196 N -1.00 2.78 -0.21 6.12 0.00 0.65 -2.64 121.76 127.46 3bzm s ALA 196 Ca 0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3bzm s ALA 196 Cb -0.10 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3bzm s ALA 196 CO 0.04 0.39 -0.12 0.99 0.00 0.00 0.00 175.76 177.06 3bzm s THR 197 N -0.16 2.63 -0.30 0.00 2.01 -0.42 -0.02 115.64 119.39 3bzm s THR 197 Ca 0.01 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 3bzm s THR 197 Cb -0.13 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3bzm s THR 197 CO 0.03 0.43 0.27 -1.81 -0.69 0.00 0.00 174.62 172.85 3bzm s ASP 198 N 1.35 6.10 -0.33 3.53 1.01 0.16 -0.71 116.67 127.78 3bzm s ASP 198 Ca 0.04 -0.08 -0.11 0.00 0.71 0.00 0.00 52.55 53.11 3bzm s ASP 198 Cb -0.14 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 3bzm s ASP 198 CO -0.08 -0.17 0.19 -0.76 0.21 0.00 0.00 175.17 174.56 3bzm s LEU 199 N 1.86 4.32 -0.21 1.23 1.02 0.23 -1.24 118.68 125.91 3bzm s LEU 199 Ca 0.09 -0.52 -0.14 0.00 0.02 0.00 0.00 54.13 53.58 3bzm s LEU 199 Cb -0.16 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 3bzm s LEU 199 CO 0.11 -0.23 0.32 -1.00 0.02 0.00 0.00 176.35 175.58 3bzm s HIS 200 N 1.65 3.37 0.14 0.29 3.76 -0.82 -0.10 115.29 123.59 3bzm s HIS 200 Ca 0.05 0.51 0.10 0.00 -0.15 0.00 0.00 55.06 55.56 3bzm s HIS 200 Cb -0.17 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 3bzm s HIS 200 CO 0.08 0.04 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.76 3bzm s PHE 201 N 1.15 2.50 0.04 1.40 0.40 -0.09 0.10 117.98 123.48 3bzm s PHE 201 Ca 0.16 -0.28 0.17 0.00 -0.60 0.00 0.00 56.93 56.38 3bzm s PHE 201 Cb -0.14 -1.29 0.43 0.00 0.51 0.00 0.00 43.02 42.52 3bzm s PHE 201 CO 0.07 0.42 1.61 0.00 0.70 0.00 0.00 175.22 178.02 3bzm h ALA 202 N 3.51 0.84 -2.61 5.36 0.00 -1.72 -3.43 119.26 121.21 3bzm h ALA 202 Ca -0.49 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.45 3bzm h ALA 202 Cb 1.18 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3bzm h ALA 202 CO 0.47 0.55 -0.61 -1.12 0.00 0.00 0.00 179.25 178.54 3bzm s SER 203 N -6.44 5.03 0.34 0.00 0.01 -1.26 -5.07 113.70 106.31 3bzm s SER 203 Ca 0.02 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 3bzm s SER 203 Cb 0.10 -1.15 -0.12 0.00 0.21 0.00 0.00 66.02 65.06 3bzm s SER 203 CO 0.71 0.05 1.46 -0.81 0.41 0.00 0.00 173.24 175.06 3bzm n PRO 204 N -0.48 2.51 -3.50 12.44 -0.04 -1.26 -4.58 135.00 140.09 3bzm n PRO 204 Ca -0.09 0.88 -0.38 0.00 -0.04 0.00 0.00 63.50 63.88 3bzm n PRO 204 Cb 0.56 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.35 3bzm n PRO 204 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bzm s VAL 205 N -0.78 5.26 -0.24 0.52 1.01 -0.71 -4.94 120.40 120.52 3bzm s VAL 205 Ca 0.57 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3bzm s VAL 205 Cb -0.51 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3bzm s VAL 205 CO 0.59 0.28 1.37 0.21 0.00 0.00 0.00 175.10 177.54 3bzm s ASN 206 N 1.13 6.68 0.16 3.32 3.84 -1.26 -4.92 114.94 123.89 3bzm s ASN 206 Ca 0.14 1.44 -0.07 0.00 0.21 0.00 0.00 52.86 54.58 3bzm s ASN 206 Cb -0.14 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.05 3bzm s ASN 206 CO 0.07 -1.03 1.46 0.00 -2.79 0.00 0.00 177.10 174.81 3bzm h ALA 207 N 9.32 0.60 0.00 1.71 0.00 -1.97 -2.71 119.26 126.21 3bzm h ALA 207 Ca -0.28 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.05 3bzm h ALA 207 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3bzm h ALA 207 CO 1.01 0.69 -0.31 0.00 0.00 0.00 0.00 179.25 180.64 3bzm h ALA 208 N 0.85 1.36 -0.02 0.00 0.00 -1.96 -1.27 119.26 118.22 3bzm h ALA 208 Ca 0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 3bzm h ALA 208 Cb 1.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3bzm h ALA 208 CO 0.11 0.38 -0.96 0.00 0.00 0.00 0.00 179.25 178.78 3bzm h ALA 209 N 1.69 0.26 -0.82 0.00 0.00 -1.83 0.15 119.26 118.72 3bzm h ALA 209 Ca -0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 3bzm h ALA 209 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3bzm h ALA 209 CO 0.04 0.74 0.36 1.98 0.00 0.00 0.00 179.25 182.37 3bzm h MET 210 N 0.34 1.20 -0.22 0.00 -1.53 -1.15 0.12 114.93 113.69 3bzm h MET 210 Ca -0.10 -0.20 -0.02 0.00 -3.44 0.00 0.00 59.70 55.95 3bzm h MET 210 Cb 1.60 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 32.44 3bzm h MET 210 CO 0.18 0.95 0.06 1.98 0.14 0.00 0.00 176.91 180.22 3bzm h MET 211 N 1.18 0.34 -0.91 0.39 -1.53 -1.00 -0.91 114.93 112.49 3bzm h MET 211 Ca 0.28 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.48 3bzm h MET 211 Cb 0.17 -0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 31.13 3bzm h MET 211 CO -0.03 0.44 0.60 0.00 0.14 0.00 0.00 176.91 178.06 3bzm h ALA 212 N 0.89 1.38 -0.39 0.39 0.00 -0.62 -1.81 119.26 119.10 3bzm h ALA 212 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3bzm h ALA 212 Cb 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3bzm h ALA 212 CO -0.00 0.56 0.16 0.00 0.00 0.00 0.00 179.25 179.97 3bzm h ALA 213 N 1.45 0.50 -0.84 0.00 0.00 -0.45 -3.10 119.26 116.81 3bzm h ALA 213 Ca 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3bzm h ALA 213 Cb -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3bzm h ALA 213 CO -0.09 0.10 0.56 1.03 0.00 0.00 0.00 179.25 180.85 3bzm h SER 214 N 0.48 0.96 -0.14 0.00 0.87 -0.81 -3.01 113.55 111.90 3bzm h SER 214 Ca 0.13 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3bzm h SER 214 Cb 0.18 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3bzm h SER 214 CO -0.01 0.69 0.07 0.03 -0.53 0.00 0.00 176.83 177.08 3bzm h ARG 215 N 1.13 0.23 -0.48 2.24 3.08 -1.26 0.29 114.38 119.59 3bzm h ARG 215 Ca 0.31 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.22 3bzm h ARG 215 Cb -0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3bzm h ARG 215 CO -0.07 0.19 -0.16 0.00 -1.07 0.00 0.00 179.97 178.85 3bzm h ARG 216 N 0.23 0.97 0.04 0.04 3.08 -1.53 -3.40 114.38 113.81 3bzm h ARG 216 Ca 0.06 -0.39 -0.37 0.00 0.07 0.00 0.00 59.98 59.34 3bzm h ARG 216 Cb 0.04 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3bzm h ARG 216 CO -0.01 1.06 -2.18 1.28 -1.07 0.00 0.00 179.97 179.06 3bzm n LEU 217 N -4.17 2.56 -3.91 3.04 4.77 -0.98 -4.76 117.00 113.56 3bzm n LEU 217 Ca 0.00 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 3bzm n LEU 217 Cb 0.43 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3bzm n LEU 217 CO 0.46 0.77 1.83 0.59 -1.33 0.00 0.00 177.39 179.71 3bzm n ASN 218 N -3.64 5.23 -4.78 -1.43 3.02 0.98 -4.91 115.26 109.73 3bzm n ASN 218 Ca -0.41 -3.13 -0.32 0.00 -0.03 0.00 0.00 54.58 50.69 3bzm n ASN 218 Cb 0.95 -1.46 0.06 0.00 -0.61 0.00 0.00 39.78 38.72 3bzm n ASN 218 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bzm s LEU 219 N -0.32 3.25 -1.33 3.41 1.43 -1.26 -3.86 118.68 119.99 3bzm s LEU 219 Ca 0.39 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 3bzm s LEU 219 Cb 0.08 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.77 3bzm s LEU 219 CO 0.01 -1.69 0.00 0.59 0.23 0.00 0.00 176.35 175.50 3bzm n ASN 220 N -2.84 -4.50 -4.27 2.29 3.02 -1.26 -4.81 115.26 102.89 3bzm n ASN 220 Ca 0.09 0.13 -0.26 0.00 -0.03 0.00 0.00 54.58 54.51 3bzm n ASN 220 Cb 0.53 -3.50 -0.14 0.00 -0.61 0.00 0.00 39.78 36.05 3bzm n ASN 220 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bzm s TYR 222 N -0.84 2.86 -0.15 0.00 1.51 0.15 -4.30 117.35 116.57 3bzm s TYR 222 Ca 0.08 1.25 -0.02 0.00 -1.01 0.00 0.00 57.07 57.37 3bzm s TYR 222 Cb -0.09 -3.84 -0.02 0.00 -0.11 0.00 0.00 41.96 37.90 3bzm s TYR 222 CO 0.02 -2.45 -0.09 -1.01 -1.11 0.00 0.00 175.55 170.91 3bzm s HIS 223 N -0.95 2.90 0.01 2.71 3.76 -0.99 -0.06 115.29 122.67 3bzm s HIS 223 Ca 0.52 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 3bzm s HIS 223 Cb -0.43 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3bzm s HIS 223 CO 0.55 -0.22 -0.01 -0.59 -0.85 0.00 0.00 174.74 173.62 3bzm s PHE 224 N 0.56 0.11 -0.16 1.40 -0.12 -0.05 -1.63 117.98 118.08 3bzm s PHE 224 Ca -0.06 -0.16 -0.06 0.00 -0.05 0.00 0.00 56.93 56.60 3bzm s PHE 224 Cb -0.15 -0.07 0.07 0.00 -0.63 0.00 0.00 43.02 42.24 3bzm s PHE 224 CO 0.03 -0.05 0.33 -0.47 -0.05 0.00 0.00 175.22 175.01 3bzm s TYR 225 N -0.43 -0.58 -0.19 3.49 5.04 0.27 -1.17 117.35 123.78 3bzm s TYR 225 Ca -0.05 1.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.77 3bzm s TYR 225 Cb -0.03 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.41 3bzm s TYR 225 CO -0.00 -0.40 -0.13 1.41 -1.34 0.00 0.00 175.55 175.09 3bzm s MET 226 N 2.35 3.18 -0.52 4.97 -2.45 -0.45 -0.07 119.30 126.31 3bzm s MET 226 Ca -0.01 -0.74 -0.17 0.00 -1.25 0.00 0.00 55.69 53.52 3bzm s MET 226 Cb -0.12 -2.75 0.09 0.00 1.25 0.00 0.00 34.83 33.30 3bzm s MET 226 CO -0.10 -0.17 0.55 0.00 1.05 0.00 0.00 175.02 176.34 3bzm s ALA 227 N 1.30 3.50 0.18 4.11 0.00 -0.37 -1.41 121.76 129.07 3bzm s ALA 227 Ca 0.04 -2.13 -0.09 0.00 0.00 0.00 0.00 51.96 49.78 3bzm s ALA 227 Cb -0.14 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.76 3bzm s ALA 227 CO -0.07 -2.01 1.65 0.74 0.00 0.00 0.00 175.76 176.07 3bzm h PHE 228 N 8.95 1.16 -2.05 0.00 -1.00 -1.73 -1.55 116.94 120.71 3bzm h PHE 228 Ca -0.29 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.31 3bzm h PHE 228 Cb 1.10 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.35 3bzm h PHE 228 CO 0.73 1.00 0.07 -0.40 -1.61 0.00 0.00 178.31 178.10 3bzm n ASP 229 N -4.21 -0.39 0.29 2.17 5.68 -1.18 -4.42 116.55 114.49 3bzm n ASP 229 Ca 0.03 -1.25 0.18 0.00 -0.50 0.00 0.00 54.79 53.25 3bzm n ASP 229 Cb 0.33 0.64 0.80 0.00 -1.14 0.00 0.00 41.12 41.75 3bzm n ASP 229 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3bzm h GLY 230 N 0.36 0.00 0.00 6.12 0.00 -1.94 -3.14 103.07 104.46 3bzm h GLY 230 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3bzm h GLY 230 CO 0.07 0.00 -1.52 1.18 0.00 0.00 0.00 176.54 176.28 3bzm n GLU 231 N -3.16 0.74 -4.30 4.80 4.71 -1.26 -4.91 120.64 117.26 3bzm n GLU 231 Ca -0.01 -0.11 -0.19 0.00 -0.01 0.00 0.00 57.16 56.84 3bzm n GLU 231 Cb 0.25 -1.33 -0.15 0.00 -1.01 0.00 0.00 31.44 29.20 3bzm n GLU 231 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3bzm s ASN 232 N -3.50 1.00 0.10 1.62 0.01 -1.19 0.17 114.94 113.15 3bzm s ASN 232 Ca -0.04 -0.15 -0.14 0.00 -0.71 0.00 0.00 52.86 51.82 3bzm s ASN 232 Cb 0.10 -0.26 0.02 0.00 0.41 0.00 0.00 41.25 41.52 3bzm s ASN 232 CO 0.62 0.05 0.33 0.00 -1.51 0.00 0.00 177.10 176.58 3bzm s ALA 233 N 0.20 -0.70 -0.02 0.60 0.00 0.32 -2.28 121.76 119.88 3bzm s ALA 233 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.74 3bzm s ALA 233 Cb -0.08 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.63 3bzm s ALA 233 CO 0.00 -0.57 -0.02 0.12 0.00 0.00 0.00 175.76 175.29 3bzm s PHE 234 N -3.63 0.39 0.14 0.00 5.36 -0.50 0.31 117.98 120.05 3bzm s PHE 234 Ca 0.02 -0.06 -0.14 0.00 -0.96 0.00 0.00 56.93 55.80 3bzm s PHE 234 Cb 0.02 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.35 3bzm s PHE 234 CO -0.10 -0.09 0.37 -0.48 -1.46 0.00 0.00 175.22 173.46 3bzm s LEU 235 N 0.59 0.58 0.11 6.12 0.05 -0.21 -1.34 118.68 124.57 3bzm s LEU 235 Ca -0.06 -0.48 -0.26 0.00 0.05 0.00 0.00 54.13 53.37 3bzm s LEU 235 Cb -0.09 1.68 0.08 0.00 -2.05 0.00 0.00 46.19 45.80 3bzm s LEU 235 CO -0.01 -0.88 1.06 -0.83 -0.55 0.00 0.00 176.35 175.14 3bzm s GLY 236 N -2.85 -0.26 -0.35 -3.48 0.00 -0.32 -0.13 107.32 99.92 3bzm s GLY 236 Ca 0.06 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 45.04 3bzm s GLY 236 CO -0.08 0.18 0.16 -0.56 0.00 0.00 0.00 173.10 172.80 3bzm s SER 237 N -2.98 3.71 -0.13 1.64 0.01 -0.70 -0.88 113.70 114.37 3bzm s SER 237 Ca 0.13 -1.98 -0.05 0.00 1.31 0.00 0.00 55.95 55.36 3bzm s SER 237 Cb 0.00 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 3bzm s SER 237 CO 0.01 -0.36 0.06 -0.55 0.41 0.00 0.00 173.24 172.81 3bzm s SER 238 N 1.21 5.72 0.00 2.44 0.15 0.91 -4.64 113.70 119.50 3bzm s SER 238 Ca 0.13 0.22 0.28 0.00 0.70 0.00 0.00 55.95 57.29 3bzm s SER 238 Cb -0.20 -1.82 1.11 0.00 -1.71 0.00 0.00 66.02 63.40 3bzm s SER 238 CO -0.15 0.32 1.82 -0.81 1.20 0.00 0.00 173.24 175.63 3bzm n PRO 239 N 2.56 0.17 -3.73 5.44 -0.04 -1.26 0.32 135.00 138.45 3bzm n PRO 239 Ca -0.18 -0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 62.87 3bzm n PRO 239 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 3bzm n PRO 239 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3bzm s GLU 240 N -2.86 3.75 0.10 0.54 2.12 -1.26 -4.82 118.70 116.26 3bzm s GLU 240 Ca 0.18 -0.43 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 3bzm s GLU 240 Cb 0.19 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 31.12 3bzm s GLU 240 CO 0.55 -0.16 1.25 0.50 -0.54 0.00 0.00 175.26 176.86 3bzm s ARG 241 N 1.57 4.41 -0.09 4.30 3.52 -1.26 -0.20 118.95 131.20 3bzm s ARG 241 Ca 0.06 1.86 -0.04 0.00 -0.13 0.00 0.00 55.73 57.49 3bzm s ARG 241 Cb -0.15 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3bzm s ARG 241 CO 0.05 -0.27 0.15 1.25 -0.81 0.00 0.00 175.30 175.67 3bzm h LEU 242 N 6.52 -0.10 -7.20 -0.88 6.46 -1.00 -3.40 115.31 115.70 3bzm h LEU 242 Ca -0.42 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.28 3bzm h LEU 242 Cb 1.21 0.03 -0.15 0.00 -0.73 0.00 0.00 40.66 41.02 3bzm h LEU 242 CO 0.81 0.38 0.04 -1.66 -0.62 0.00 0.00 178.44 177.40 3bzm s TRP 243 N -1.95 -0.41 -0.06 1.25 -2.14 -0.98 -4.55 118.94 110.09 3bzm s TRP 243 Ca -0.02 0.40 0.02 0.00 2.66 0.00 0.00 56.10 59.16 3bzm s TRP 243 Cb 0.00 0.35 0.01 0.00 -3.10 0.00 0.00 33.47 30.74 3bzm s TRP 243 CO 0.06 -0.67 -0.12 0.50 -2.66 0.00 0.00 176.95 174.06 3bzm s ARG 244 N -2.69 1.61 -0.13 3.25 3.00 -0.11 -1.55 118.95 122.32 3bzm s ARG 244 Ca -0.04 -0.40 0.02 0.00 -1.00 0.00 0.00 55.73 54.31 3bzm s ARG 244 Cb -0.00 -1.35 0.01 0.00 0.00 0.00 0.00 34.95 33.61 3bzm s ARG 244 CO -0.04 0.04 -0.18 0.50 0.00 0.00 0.00 175.30 175.62 3bzm s ARG 245 N 0.59 2.63 -0.27 5.12 3.52 -0.06 -0.84 118.95 129.65 3bzm s ARG 245 Ca -0.13 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 3bzm s ARG 245 Cb -0.15 -2.20 0.06 0.00 -1.56 0.00 0.00 34.95 31.10 3bzm s ARG 245 CO 0.03 -0.07 -0.08 1.03 -0.81 0.00 0.00 175.30 175.40 3bzm s ARG 246 N 1.00 2.29 3.02 5.12 1.81 0.00 -0.72 118.95 131.46 3bzm s ARG 246 Ca -0.05 -1.33 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 3bzm s ARG 246 Cb -0.15 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 3bzm s ARG 246 CO -0.04 -0.59 0.00 -3.47 -0.68 0.00 0.00 175.30 170.53 3bzm n ASP 247 N 4.48 0.00 -0.00 0.23 2.03 0.09 -1.06 116.55 122.32 3bzm n ASP 247 Ca -0.14 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.21 3bzm n ASP 247 Cb 0.42 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.78 3bzm n ASP 247 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3bzm n LYS 248 N 0.00 3.51 -1.69 -0.67 5.02 -1.26 -4.57 118.16 118.50 3bzm n LYS 248 Ca 0.00 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3bzm n LYS 248 Cb 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3bzm n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bzm s ALA 249 N -1.88 3.64 -0.08 7.82 0.00 -0.23 -0.65 121.76 130.39 3bzm s ALA 249 Ca 0.01 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.36 3bzm s ALA 249 Cb 0.05 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 3bzm s ALA 249 CO 0.29 -1.47 -0.17 -1.17 0.00 0.00 0.00 175.76 173.24 3bzm s LEU 250 N 3.95 2.57 -0.06 0.00 0.20 -0.04 -0.82 118.68 124.49 3bzm s LEU 250 Ca 0.86 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 55.41 3bzm s LEU 250 Cb -0.43 -1.53 -0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3bzm s LEU 250 CO 0.40 0.26 -0.20 -0.13 -0.29 0.00 0.00 176.35 176.39 3bzm s ARG 251 N -0.24 2.19 0.00 1.98 0.52 -0.02 -2.09 118.95 121.30 3bzm s ARG 251 Ca 0.00 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3bzm s ARG 251 Cb -0.13 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.51 3bzm s ARG 251 CO 0.03 0.26 0.00 -2.37 0.02 0.00 0.00 175.30 173.24 3bzm n THR 252 N 3.20 0.00 -3.54 0.02 5.66 -0.13 -0.93 114.28 118.56 3bzm n THR 252 Ca -0.18 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 3bzm n THR 252 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 3bzm n THR 252 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3bzm s GLU 253 N -1.44 0.73 -0.37 1.09 -1.05 -1.26 -1.45 118.70 114.94 3bzm s GLU 253 Ca 0.00 -0.06 -0.04 0.00 -0.15 0.00 0.00 54.97 54.72 3bzm s GLU 253 Cb 0.00 0.34 0.08 0.00 -0.44 0.00 0.00 34.13 34.11 3bzm s GLU 253 CO 0.00 -0.28 0.15 0.00 0.95 0.00 0.00 175.26 176.08 3bzm s ALA 254 N -2.08 3.07 -0.50 -0.84 0.00 0.86 -4.94 121.76 117.32 3bzm s ALA 254 Ca 0.01 -2.22 -0.02 0.00 0.00 0.00 0.00 51.96 49.73 3bzm s ALA 254 Cb -0.01 -2.30 0.13 0.00 0.00 0.00 0.00 23.12 20.94 3bzm s ALA 254 CO -0.03 -1.60 0.30 -1.17 0.00 0.00 0.00 175.76 173.26 3bzm s LEU 255 N 1.22 5.13 -0.06 0.00 0.20 -1.26 -0.67 118.68 123.25 3bzm s LEU 255 Ca 0.03 -2.47 -0.24 0.00 0.69 0.00 0.00 54.13 52.13 3bzm s LEU 255 Cb -0.22 -1.81 0.05 0.00 -0.43 0.00 0.00 46.19 43.79 3bzm s LEU 255 CO -0.02 -0.43 0.55 0.00 -0.29 0.00 0.00 176.35 176.16 3bzm s ALA 256 N 0.49 -1.41 0.00 5.97 0.00 0.01 -4.93 121.76 121.90 3bzm s ALA 256 Ca 0.13 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3bzm s ALA 256 Cb -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3bzm s ALA 256 CO -0.04 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3bzm n GLY 257 N 1.26 0.69 3.65 0.00 0.00 -1.26 -3.94 105.19 105.59 3bzm n GLY 257 Ca -0.19 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3bzm n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bzm s THR 258 N 0.00 4.67 0.37 2.61 2.01 -1.26 -1.85 115.64 122.19 3bzm s THR 258 Ca 0.00 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.00 3bzm s THR 258 Cb 0.00 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 3bzm s THR 258 CO 0.00 0.50 0.03 0.68 -0.69 0.00 0.00 174.62 175.14 3bzm s VAL 259 N 0.03 2.36 0.62 3.82 -7.23 0.00 -4.97 120.40 115.03 3bzm s VAL 259 Ca 0.05 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 3bzm s VAL 259 Cb -0.12 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 3bzm s VAL 259 CO 0.01 -0.12 1.08 0.00 -0.31 0.00 0.00 175.10 175.77 3bzm s ALA 260 N -2.59 2.63 0.42 1.32 0.00 -1.26 0.14 121.76 122.41 3bzm s ALA 260 Ca 0.36 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 3bzm s ALA 260 Cb 0.03 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 3bzm s ALA 260 CO 0.19 -1.00 0.66 1.21 0.00 0.00 0.00 175.76 176.82 3bzm s ASN 261 N -2.67 6.20 -0.01 0.00 2.47 -0.55 -4.29 114.94 116.09 3bzm s ASN 261 Ca 0.65 0.61 0.03 0.00 0.42 0.00 0.00 52.86 54.57 3bzm s ASN 261 Cb -0.18 -2.04 -0.01 0.00 -1.45 0.00 0.00 41.25 37.58 3bzm s ASN 261 CO 0.38 -0.47 -0.10 0.21 -3.72 0.00 0.00 177.10 173.41 3bzm s ASN 262 N -4.09 1.19 0.56 -4.21 3.84 -1.26 -4.70 114.94 106.26 3bzm s ASN 262 Ca 0.44 -0.18 0.29 0.00 0.21 0.00 0.00 52.86 53.61 3bzm s ASN 262 Cb -0.10 -0.18 1.66 0.00 -0.55 0.00 0.00 41.25 42.08 3bzm s ASN 262 CO 0.40 0.11 2.18 1.55 -2.79 0.00 0.00 177.10 178.54 3bzm h PRO 263 N 6.02 0.00 -6.40 0.43 0.13 -1.98 -3.39 132.00 126.82 3bzm h PRO 263 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 3bzm h PRO 263 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3bzm h PRO 263 CO 0.49 0.05 0.60 0.34 -0.23 0.00 0.00 178.00 179.25 3bzm s ASP 264 N -6.17 7.10 0.32 1.44 2.15 -1.26 -4.93 116.67 115.32 3bzm s ASP 264 Ca -0.04 1.88 0.08 0.00 0.43 0.00 0.00 52.55 54.90 3bzm s ASP 264 Cb 0.14 -2.57 0.79 0.00 -0.30 0.00 0.00 42.92 40.99 3bzm s ASP 264 CO 0.56 -0.50 1.78 0.44 -0.17 0.00 0.00 175.17 177.29 3bzm h ASP 265 N 7.10 0.73 -0.04 -0.34 3.45 -2.00 -1.95 116.42 123.37 3bzm h ASP 265 Ca -0.38 0.09 -0.07 0.00 0.43 0.00 0.00 57.03 57.10 3bzm h ASP 265 Cb 1.19 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3bzm h ASP 265 CO 0.83 0.25 -0.26 0.11 -1.57 0.00 0.00 179.24 178.60 3bzm h LYS 266 N 0.71 0.26 -0.01 3.56 1.57 -1.94 -1.92 116.57 118.80 3bzm h LYS 266 Ca 0.57 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3bzm h LYS 266 Cb 0.96 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3bzm h LYS 266 CO -0.36 0.88 -0.48 0.37 -0.57 0.00 0.00 179.45 179.28 3bzm h GLN 267 N -0.29 0.02 -0.26 3.15 5.75 -1.86 0.18 115.11 121.80 3bzm h GLN 267 Ca -0.02 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.28 3bzm h GLN 267 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 3bzm h GLN 267 CO 0.05 0.50 -0.58 0.00 -2.65 0.00 0.00 178.83 176.16 3bzm h ALA 268 N 1.50 0.47 0.00 3.38 0.00 -1.44 -1.30 119.26 121.87 3bzm h ALA 268 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3bzm h ALA 268 Cb 0.86 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3bzm h ALA 268 CO 0.06 0.68 -0.10 -0.56 0.00 0.00 0.00 179.25 179.34 3bzm h GLN 269 N 0.63 0.00 0.22 0.00 -0.00 -0.90 -1.17 115.11 113.90 3bzm h GLN 269 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.34 3bzm h GLN 269 Cb 1.18 0.00 0.04 0.00 -0.00 0.00 0.00 27.48 28.70 3bzm h GLN 269 CO 0.13 0.10 -1.38 1.96 -0.00 0.00 0.00 178.83 179.64 3bzm h GLN 270 N 0.00 0.54 0.00 0.06 4.20 -0.63 -2.06 115.11 117.21 3bzm h GLN 270 Ca -0.00 -0.88 -0.00 0.00 0.06 0.00 0.00 58.65 57.83 3bzm h GLN 270 Cb 0.89 0.32 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 3bzm h GLN 270 CO 0.01 1.42 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.51 3bzm h LEU 271 N 0.11 0.00 0.02 1.46 3.38 -0.98 -2.00 115.31 117.30 3bzm h LEU 271 Ca -0.24 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.38 3bzm h LEU 271 Cb 2.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.78 3bzm h LEU 271 CO 0.26 0.01 -2.00 0.61 0.09 0.00 0.00 178.44 177.40 3bzm n GLY 272 N -0.92 -0.59 0.27 0.83 0.00 -0.46 -3.52 105.19 100.80 3bzm n GLY 272 Ca -0.02 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.02 3bzm n GLY 272 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bzm h GLU 273 N -0.67 0.00 -0.01 1.61 5.08 -1.35 0.52 114.58 119.76 3bzm h GLU 273 Ca -0.52 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3bzm h GLU 273 Cb 1.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.87 3bzm h GLU 273 CO -0.22 0.03 0.00 2.35 -1.00 0.00 0.00 179.01 180.18 3bzm h TRP 274 N 0.00 0.01 -0.78 4.33 7.01 -1.54 -3.11 115.95 121.87 3bzm h TRP 274 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 3bzm h TRP 274 Cb 0.07 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.08 3bzm h TRP 274 CO 0.00 0.16 0.51 1.25 -2.79 0.00 0.00 178.44 177.57 3bzm h LEU 275 N -0.13 0.79 -0.65 0.65 5.85 -0.97 -0.12 115.31 120.73 3bzm h LEU 275 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3bzm h LEU 275 Cb 0.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3bzm h LEU 275 CO -0.00 0.53 0.00 0.24 -0.34 0.00 0.00 178.44 178.87 3bzm h MET 276 N 0.91 0.00 0.00 1.25 2.86 -1.31 -3.13 114.93 115.51 3bzm h MET 276 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3bzm h MET 276 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3bzm h MET 276 CO -0.10 0.00 -1.23 0.00 1.06 0.00 0.00 176.91 176.64 3bzm n ALA 277 N -1.84 2.75 -1.58 6.32 0.00 -0.38 -4.86 120.51 120.93 3bzm n ALA 277 Ca 0.03 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 3bzm n ALA 277 Cb 0.29 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 3bzm n ALA 277 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bzm s ASP 278 N -2.95 4.50 0.34 0.00 3.68 -0.20 -4.91 116.67 117.13 3bzm s ASP 278 Ca -0.02 1.09 -0.29 0.00 2.13 0.00 0.00 52.55 55.46 3bzm s ASP 278 Cb 0.08 -2.50 -0.11 0.00 -1.45 0.00 0.00 42.92 38.93 3bzm s ASP 278 CO 0.48 -2.83 1.53 -1.81 0.13 0.00 0.00 175.17 172.66 3bzm s ASP 279 N 11.92 6.35 0.00 -0.34 1.11 -1.26 -2.59 116.67 131.86 3bzm s ASP 279 Ca 0.97 3.02 0.00 0.00 0.18 0.00 0.00 52.55 56.71 3bzm s ASP 279 Cb -0.17 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.16 3bzm s ASP 279 CO 0.26 -0.89 0.00 1.17 1.18 0.00 0.00 175.17 176.89 3bzm n LYS 280 N 1.12 0.00 -0.21 8.23 0.00 -1.26 -4.74 118.16 121.31 3bzm n LYS 280 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.27 3bzm n LYS 280 Cb 0.38 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.47 3bzm n LYS 280 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3bzm h ASN 281 N 0.00 1.01 0.31 3.14 2.35 -1.91 0.14 115.58 120.63 3bzm h ASN 281 Ca 0.00 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 3bzm h ASN 281 Cb 0.00 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3bzm h ASN 281 CO 0.00 1.03 -0.19 1.56 -1.65 0.00 0.00 177.43 178.18 3bzm h GLN 282 N 0.98 0.00 0.04 0.81 1.08 -1.78 0.40 115.11 116.64 3bzm h GLN 282 Ca 0.19 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.22 3bzm h GLN 282 Cb 0.48 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 3bzm h GLN 282 CO 0.02 0.19 -0.66 -0.09 -0.95 0.00 0.00 178.83 177.34 3bzm h ARG 283 N 0.00 0.38 -0.15 1.46 2.43 -1.71 -2.15 114.38 114.64 3bzm h ARG 283 Ca -0.00 -0.46 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3bzm h ARG 283 Cb 0.40 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3bzm h ARG 283 CO 0.02 1.14 0.07 0.93 -1.51 0.00 0.00 179.97 180.63 3bzm h GLU 284 N -0.18 0.16 -0.87 0.20 5.08 -0.10 -1.51 114.58 117.35 3bzm h GLU 284 Ca -0.09 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3bzm h GLU 284 Cb 1.40 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 3bzm h GLU 284 CO 0.13 0.10 0.53 -0.97 -1.00 0.00 0.00 179.01 177.80 3bzm h ASN 285 N 0.16 0.78 0.62 1.42 -0.73 -0.29 -2.53 115.58 115.01 3bzm h ASN 285 Ca 0.06 0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.18 3bzm h ASN 285 Cb 0.01 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 3bzm h ASN 285 CO -0.04 0.46 -0.39 -0.03 -0.37 0.00 0.00 177.43 177.07 3bzm h MET 286 N 0.90 0.00 0.00 6.67 4.05 -0.75 -1.68 114.93 124.12 3bzm h MET 286 Ca 0.41 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.72 3bzm h MET 286 Cb 0.31 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3bzm h MET 286 CO -0.22 0.39 -0.54 1.25 0.23 0.00 0.00 176.91 178.01 3bzm h LEU 287 N 0.00 0.00 -0.18 3.39 5.85 -0.88 -1.78 115.31 121.71 3bzm h LEU 287 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3bzm h LEU 287 Cb 0.80 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3bzm h LEU 287 CO 0.05 0.54 -0.23 0.58 -0.34 0.00 0.00 178.44 179.04 3bzm h VAL 288 N 0.00 1.34 -0.52 1.05 2.07 -1.14 -2.48 116.25 116.58 3bzm h VAL 288 Ca -0.01 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 3bzm h VAL 288 Cb 1.04 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 3bzm h VAL 288 CO 0.07 0.43 0.11 1.62 0.02 0.00 0.00 177.57 179.82 3bzm h VAL 289 N 0.12 1.25 -0.73 2.57 3.04 -1.09 -1.77 116.25 119.63 3bzm h VAL 289 Ca 0.02 -0.89 0.10 0.00 -1.01 0.00 0.00 66.70 64.93 3bzm h VAL 289 Cb 0.80 0.83 -0.08 0.00 -2.01 0.00 0.00 31.29 30.83 3bzm h VAL 289 CO 0.05 0.32 0.37 -0.33 -1.01 0.00 0.00 177.57 176.97 3bzm h GLU 290 N 0.73 0.59 -0.44 4.17 4.39 -1.38 0.81 114.58 123.45 3bzm h GLU 290 Ca 0.16 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 3bzm h GLU 290 Cb 0.36 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3bzm h GLU 290 CO 0.00 0.39 0.09 0.22 -1.16 0.00 0.00 179.01 178.55 3bzm h ASP 291 N 0.61 0.68 -0.01 1.42 3.58 -1.22 0.43 116.42 121.91 3bzm h ASP 291 Ca 0.37 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 3bzm h ASP 291 Cb 0.41 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 3bzm h ASP 291 CO -0.29 0.75 0.00 0.40 -2.88 0.00 0.00 179.24 177.23 3bzm h ILE 292 N 0.58 1.07 -1.01 2.25 2.04 -0.72 -0.04 117.51 121.69 3bzm h ILE 292 Ca 0.13 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3bzm h ILE 292 Cb 0.35 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3bzm h ILE 292 CO 0.01 0.06 0.66 0.00 0.00 0.00 0.00 178.15 178.87 3bzm h GLN 294 N 1.32 -0.61 -0.34 0.00 -0.00 -0.56 0.12 115.11 115.03 3bzm h GLN 294 Ca 0.39 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 59.14 3bzm h GLN 294 Cb -0.08 0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 3bzm h GLN 294 CO -0.10 -0.41 0.23 0.00 0.00 0.00 0.00 178.83 178.55 3bzm h ARG 295 N -0.64 0.16 0.00 1.69 3.08 -0.76 -2.82 114.38 115.10 3bzm h ARG 295 Ca -0.03 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 3bzm h ARG 295 Cb 0.56 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3bzm h ARG 295 CO -0.01 0.11 -1.25 -0.07 -1.07 0.00 0.00 179.97 177.67 3bzm h LEU 296 N 0.17 0.00 -0.42 3.04 3.38 -0.32 -3.44 115.31 117.71 3bzm h LEU 296 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3bzm h LEU 296 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3bzm h LEU 296 CO -0.02 0.77 0.26 0.06 0.09 0.00 0.00 178.44 179.60 3bzm h GLN 297 N 0.00 0.57 0.00 1.13 -0.00 -0.51 -0.68 115.11 115.61 3bzm h GLN 297 Ca -0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 3bzm h GLN 297 Cb 1.71 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 29.07 3bzm h GLN 297 CO 0.08 0.42 0.00 0.00 -0.00 0.00 0.00 178.83 179.32 3bzm n ALA 298 N -2.23 1.16 0.00 0.06 0.00 -1.26 -2.45 120.51 115.79 3bzm n ALA 298 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bzm n ALA 298 Cb 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3bzm n ALA 298 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bzm n ASP 299 N -1.48 1.12 -4.28 0.00 10.43 -0.28 -5.01 116.55 117.04 3bzm n ASP 299 Ca 0.01 -1.11 -0.15 0.00 2.57 0.00 0.00 54.79 56.10 3bzm n ASP 299 Cb 0.04 -0.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.89 3bzm n ASP 299 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3bzm s THR 300 N -0.12 1.19 0.00 -3.53 -4.23 -1.02 -0.13 115.64 107.80 3bzm s THR 300 Ca 0.00 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3bzm s THR 300 Cb 0.00 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3bzm s THR 300 CO 0.00 -0.62 0.00 0.00 -0.54 0.00 0.00 174.62 173.46 3bzm n GLN 301 N -0.28 0.57 -1.39 3.99 1.13 0.20 -4.85 117.38 116.76 3bzm n GLN 301 Ca -0.09 0.00 -0.54 0.00 -1.94 0.00 0.00 57.00 54.44 3bzm n GLN 301 Cb 0.61 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.90 3bzm n GLN 301 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3bzm n THR 302 N -1.29 0.28 -3.53 5.09 -1.04 -1.26 -4.51 114.28 108.02 3bzm n THR 302 Ca 0.00 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.56 3bzm n THR 302 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3bzm n THR 302 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3bzm s LEU 303 N 0.43 4.11 -0.25 -4.42 1.43 -1.26 -4.25 118.68 114.47 3bzm s LEU 303 Ca 0.81 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 54.08 3bzm s LEU 303 Cb -1.14 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3bzm s LEU 303 CO 0.53 -0.03 0.07 -1.81 0.23 0.00 0.00 176.35 175.34 3bzm s ASP 304 N 1.21 5.11 -0.14 2.29 1.01 0.91 -4.99 116.67 122.07 3bzm s ASP 304 Ca 0.12 -0.22 -0.13 0.00 0.71 0.00 0.00 52.55 53.03 3bzm s ASP 304 Cb -0.14 -1.92 -0.05 0.00 1.01 0.00 0.00 42.92 41.82 3bzm s ASP 304 CO 0.07 -0.04 0.28 -0.69 0.21 0.00 0.00 175.17 175.00 3bzm s VAL 305 N 1.61 5.30 0.40 -1.27 1.01 -1.26 -1.15 120.40 125.04 3bzm s VAL 305 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3bzm s VAL 305 Cb -0.15 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3bzm s VAL 305 CO 0.03 0.45 0.61 -0.76 0.00 0.00 0.00 175.10 175.44 3bzm s LEU 306 N 0.05 3.82 0.59 3.92 1.43 0.58 -5.00 118.68 124.08 3bzm s LEU 306 Ca 0.17 0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 3bzm s LEU 306 Cb -0.13 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3bzm s LEU 306 CO 0.05 -0.50 1.10 -2.65 0.23 0.00 0.00 176.35 174.57 3bzm n PRO 307 N -1.94 1.09 -1.78 1.29 -0.02 -1.26 -4.35 135.00 128.03 3bzm n PRO 307 Ca -0.01 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 3bzm n PRO 307 Cb 0.57 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 31.80 3bzm n PRO 307 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bzm s PRO 308 N -2.87 2.67 0.03 0.52 0.04 -1.26 -4.63 135.00 129.50 3bzm s PRO 308 Ca 0.76 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.52 3bzm s PRO 308 Cb -0.42 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3bzm s PRO 308 CO 0.46 -1.43 0.04 -0.65 0.04 0.00 0.00 177.00 175.47 3bzm s GLN 309 N -3.62 0.49 -0.02 4.56 -0.21 -0.62 -4.98 119.66 115.27 3bzm s GLN 309 Ca 0.75 -0.76 -0.18 0.00 0.02 0.00 0.00 55.36 55.20 3bzm s GLN 309 Cb -0.29 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.85 3bzm s GLN 309 CO 0.38 -0.11 0.50 0.08 -2.12 0.00 0.00 175.29 174.02 3bzm s VAL 310 N -2.36 4.99 -0.35 1.09 1.01 -1.26 -1.33 120.40 122.18 3bzm s VAL 310 Ca -0.07 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 3bzm s VAL 310 Cb -0.03 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3bzm s VAL 310 CO -0.04 0.47 0.16 -0.22 0.00 0.00 0.00 175.10 175.47 3bzm s LEU 311 N -0.42 4.50 -0.29 3.92 2.96 0.20 -4.95 118.68 124.61 3bzm s LEU 311 Ca 0.27 -1.01 -0.19 0.00 -0.22 0.00 0.00 54.13 52.98 3bzm s LEU 311 Cb -0.17 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3bzm s LEU 311 CO 0.14 -0.35 0.57 -0.60 -1.32 0.00 0.00 176.35 174.80 3bzm s ARG 312 N 1.50 3.96 0.00 1.98 3.52 -1.26 -1.24 118.95 127.40 3bzm s ARG 312 Ca 0.01 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 3bzm s ARG 312 Cb -0.19 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 3bzm s ARG 312 CO 0.05 -0.48 0.00 1.28 -0.81 0.00 0.00 175.30 175.35 3bzm n LEU 313 N 5.71 0.00 -0.01 -0.88 4.77 -0.87 -5.02 117.00 120.70 3bzm n LEU 313 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 3bzm n LEU 313 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3bzm n LEU 313 CO 0.43 -0.10 0.68 -0.09 -1.33 0.00 0.00 177.39 176.98 3bzm h ARG 314 N 0.00 0.05 -0.01 3.23 2.43 -1.91 -3.33 114.38 114.85 3bzm h ARG 314 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3bzm h ARG 314 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3bzm h ARG 314 CO 0.00 0.44 -0.05 1.63 -1.51 0.00 0.00 179.97 180.48 3bzm n LYS 315 N -4.85 0.85 -3.64 0.20 4.76 -1.26 -4.69 118.16 109.53 3bzm n LYS 315 Ca -0.08 -0.86 -0.11 0.00 -2.87 0.00 0.00 58.31 54.40 3bzm n LYS 315 Cb 0.23 -1.12 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 3bzm n LYS 315 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3bzm s VAL 316 N -0.87 0.00 0.17 -0.18 0.11 -1.25 -1.48 120.40 116.90 3bzm s VAL 316 Ca 0.09 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.23 3bzm s VAL 316 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3bzm s VAL 316 CO 0.14 0.00 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.60 3bzm s GLN 317 N 0.40 1.35 0.05 1.54 -0.21 0.38 -2.04 119.66 121.14 3bzm s GLN 317 Ca 0.01 -1.44 0.02 0.00 0.02 0.00 0.00 55.36 53.98 3bzm s GLN 317 Cb -0.05 -1.51 -0.03 0.00 1.00 0.00 0.00 33.01 32.42 3bzm s GLN 317 CO -0.05 0.32 -0.08 -1.01 -2.12 0.00 0.00 175.29 172.35 3bzm s HIS 318 N -1.87 0.74 -0.05 0.91 3.76 -0.37 -0.82 115.29 117.60 3bzm s HIS 318 Ca 0.17 -0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 54.36 3bzm s HIS 318 Cb -0.07 -0.44 -0.05 0.00 1.11 0.00 0.00 32.58 33.13 3bzm s HIS 318 CO 0.08 -0.07 0.53 -1.17 -0.85 0.00 0.00 174.74 173.25 3bzm s LEU 319 N -1.72 4.37 0.01 0.89 2.96 -0.77 0.63 118.68 125.04 3bzm s LEU 319 Ca -0.07 1.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 3bzm s LEU 319 Cb -0.09 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 3bzm s LEU 319 CO 0.00 0.09 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.45 3bzm s ARG 320 N 0.03 0.55 -0.13 1.98 3.52 -0.44 -0.81 118.95 123.64 3bzm s ARG 320 Ca 0.28 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 3bzm s ARG 320 Cb -0.17 -0.49 0.01 0.00 -1.56 0.00 0.00 34.95 32.74 3bzm s ARG 320 CO 0.14 0.13 -0.20 1.03 -0.81 0.00 0.00 175.30 175.59 3bzm s ARG 321 N -0.44 2.77 0.30 5.12 0.52 0.16 -1.58 118.95 125.79 3bzm s ARG 321 Ca 0.00 -0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 3bzm s ARG 321 Cb -0.04 -2.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.09 3bzm s ARG 321 CO -0.00 -0.02 0.70 0.00 0.02 0.00 0.00 175.30 176.00 3bzm s ILE 323 N -1.91 0.99 0.11 0.00 1.01 -0.53 -0.30 121.20 120.57 3bzm s ILE 323 Ca 0.52 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.71 3bzm s ILE 323 Cb -0.11 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3bzm s ILE 323 CO 0.18 0.14 -0.06 0.26 0.00 0.00 0.00 174.94 175.47 3bzm s TRP 324 N 1.69 2.83 0.18 3.97 0.52 -0.30 -0.96 118.94 126.87 3bzm s TRP 324 Ca 0.01 -0.11 -0.23 0.00 0.02 0.00 0.00 56.10 55.79 3bzm s TRP 324 Cb -0.15 -1.46 0.07 0.00 -1.15 0.00 0.00 33.47 30.78 3bzm s TRP 324 CO -0.08 0.45 1.00 -0.08 0.02 0.00 0.00 176.95 178.27 3bzm s THR 325 N -1.30 0.00 -0.07 2.01 -1.32 -0.89 -0.06 115.64 114.01 3bzm s THR 325 Ca 0.23 -0.64 0.03 0.00 -1.21 0.00 0.00 61.69 60.11 3bzm s THR 325 Cb -0.11 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.30 3bzm s THR 325 CO 0.16 0.00 -0.16 -0.55 -2.21 0.00 0.00 174.62 171.86 3bzm s SER 326 N -3.21 3.86 0.32 8.08 0.15 -1.26 -0.86 113.70 120.78 3bzm s SER 326 Ca 0.18 -0.28 -0.19 0.00 0.70 0.00 0.00 55.95 56.36 3bzm s SER 326 Cb -0.02 -1.00 -0.09 0.00 -1.71 0.00 0.00 66.02 63.20 3bzm s SER 326 CO 0.04 0.29 0.80 -0.76 1.20 0.00 0.00 173.24 174.82 3bzm s LEU 327 N -0.41 4.13 0.25 3.45 1.43 0.18 -0.63 118.68 127.09 3bzm s LEU 327 Ca 0.04 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 3bzm s LEU 327 Cb -0.12 -4.06 0.32 0.00 0.03 0.00 0.00 46.19 42.35 3bzm s LEU 327 CO 0.02 -0.17 1.70 0.78 0.23 0.00 0.00 176.35 178.91 3bzm h ASN 328 N 2.54 0.65 -3.49 2.29 2.35 -0.86 -3.44 115.58 115.63 3bzm h ASN 328 Ca -0.48 -0.21 -0.47 0.00 -0.55 0.00 0.00 56.30 54.59 3bzm h ASN 328 Cb 1.18 -0.18 -0.33 0.00 0.05 0.00 0.00 38.32 39.04 3bzm h ASN 328 CO 0.64 0.84 -0.80 -0.54 -1.65 0.00 0.00 177.43 175.93 3bzm s LYS 329 N -4.64 1.32 -1.12 0.81 -0.14 -1.26 -5.06 119.74 109.65 3bzm s LYS 329 Ca -0.08 -0.30 -0.24 0.00 -1.36 0.00 0.00 55.97 53.99 3bzm s LYS 329 Cb 0.14 -1.15 -0.10 0.00 -1.68 0.00 0.00 37.83 35.03 3bzm s LYS 329 CO 0.81 0.01 1.98 0.00 -0.76 0.00 0.00 175.35 177.38 3bzm s ALA 330 N 0.67 1.56 -0.10 5.17 0.00 -1.26 -4.85 121.76 122.94 3bzm s ALA 330 Ca -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 49.89 3bzm s ALA 330 Cb -0.14 -4.66 0.04 0.00 0.00 0.00 0.00 23.12 18.35 3bzm s ALA 330 CO 0.02 -5.45 0.02 0.34 0.00 0.00 0.00 175.76 170.69 3bzm s ASP 331 N 7.12 1.88 0.20 0.00 -1.08 -1.26 -5.02 116.67 118.51 3bzm s ASP 331 Ca 0.71 -0.26 0.09 0.00 -0.52 0.00 0.00 52.55 52.57 3bzm s ASP 331 Cb -0.03 -0.45 0.10 0.00 -1.46 0.00 0.00 42.92 41.08 3bzm s ASP 331 CO 0.12 -0.23 1.46 0.44 0.52 0.00 0.00 175.17 177.48 3bzm h ASP 332 N 8.32 0.00 0.19 -0.34 3.32 -1.95 -3.15 116.42 122.80 3bzm h ASP 332 Ca -0.18 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 3bzm h ASP 332 Cb 1.12 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3bzm h ASP 332 CO 0.27 0.79 -0.38 1.62 -1.72 0.00 0.00 179.24 179.83 3bzm h VAL 333 N 0.00 1.30 -0.08 -1.35 3.04 -1.95 -1.10 116.25 116.11 3bzm h VAL 333 Ca -0.01 -1.45 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 3bzm h VAL 333 Cb 1.40 1.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 3bzm h VAL 333 CO 0.10 0.44 0.02 0.40 -1.01 0.00 0.00 177.57 177.52 3bzm h ILE 334 N 0.23 1.19 0.09 3.17 2.04 -1.97 -0.32 117.51 121.93 3bzm h ILE 334 Ca 0.02 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3bzm h ILE 334 Cb 0.78 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 3bzm h ILE 334 CO 0.06 0.16 -0.36 0.00 0.00 0.00 0.00 178.15 178.01 3bzm h LEU 336 N -0.57 -1.56 -0.51 0.00 6.46 -1.21 0.20 115.31 118.12 3bzm h LEU 336 Ca 0.04 0.18 -0.14 0.00 -0.12 0.00 0.00 57.88 57.83 3bzm h LEU 336 Cb 0.62 0.59 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 3bzm h LEU 336 CO -0.23 -0.52 -0.68 0.45 -0.62 0.00 0.00 178.44 176.85 3bzm h HIS 337 N -0.66 0.00 -0.29 1.25 3.86 -0.81 -0.96 115.15 117.54 3bzm h HIS 337 Ca 0.02 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 3bzm h HIS 337 Cb 0.72 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 3bzm h HIS 337 CO -0.49 0.68 -0.48 1.96 0.86 0.00 0.00 177.93 180.45 3bzm h GLN 338 N 0.00 0.84 0.00 2.45 1.08 -0.49 -3.37 115.11 115.61 3bzm h GLN 338 Ca -0.01 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3bzm h GLN 338 Cb 1.28 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 3bzm h GLN 338 CO 0.09 1.15 -0.95 1.28 -0.95 0.00 0.00 178.83 179.45 3bzm n LEU 339 N -4.07 0.66 -4.28 1.46 4.77 0.69 -4.88 117.00 111.35 3bzm n LEU 339 Ca -0.04 0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 3bzm n LEU 339 Cb 0.59 -0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 3bzm n LEU 339 CO 0.49 -0.03 -0.56 -1.58 -1.33 0.00 0.00 177.39 174.38 3bzm s GLN 340 N -3.24 2.10 0.57 3.23 0.74 -0.39 -3.47 119.66 119.21 3bzm s GLN 340 Ca 0.03 -0.88 -0.17 0.00 0.05 0.00 0.00 55.36 54.39 3bzm s GLN 340 Cb 0.13 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 3bzm s GLN 340 CO 0.78 0.50 1.08 -1.25 -0.55 0.00 0.00 175.29 175.85 3bzm s PRO 341 N -0.49 3.34 0.68 1.67 0.04 -1.26 -4.77 135.00 134.20 3bzm s PRO 341 Ca 0.07 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 3bzm s PRO 341 Cb -0.10 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3bzm s PRO 341 CO -0.00 -0.82 1.08 0.95 0.04 0.00 0.00 177.00 178.26 3bzm s THR 342 N -2.20 3.55 0.53 1.26 -4.23 -1.23 -4.84 115.64 108.48 3bzm s THR 342 Ca 0.67 0.63 0.17 0.00 -1.18 0.00 0.00 61.69 61.98 3bzm s THR 342 Cb -0.18 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.76 3bzm s THR 342 CO 0.32 -0.54 2.16 0.00 -0.54 0.00 0.00 174.62 176.03 3bzm h ALA 343 N -0.29 1.95 0.00 3.99 0.00 -1.86 -0.96 119.26 122.10 3bzm h ALA 343 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3bzm h ALA 343 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3bzm h ALA 343 CO 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3bzm n ALA 344 N -2.52 1.85 0.00 0.00 0.00 -1.26 -1.25 120.51 117.33 3bzm n ALA 344 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3bzm n ALA 344 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3bzm n ALA 344 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3bzm n VAL 345 N -1.84 0.00 -0.09 0.00 3.14 -0.76 -4.80 118.33 113.99 3bzm n VAL 345 Ca 0.04 -0.16 -0.16 0.00 -2.96 0.00 0.00 64.34 61.10 3bzm n VAL 345 Cb 0.25 0.65 -0.05 0.00 -1.06 0.00 0.00 33.84 33.63 3bzm n VAL 345 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3bzm n ALA 346 N -1.30 1.49 0.00 1.55 0.00 -0.44 -4.61 120.51 117.20 3bzm n ALA 346 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3bzm n ALA 346 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3bzm n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzm n GLY 347 N 1.76 0.35 3.36 0.00 0.00 -0.38 -0.00 105.19 110.27 3bzm n GLY 347 Ca -0.29 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.49 3bzm n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bzm s LEU 348 N 0.00 -0.16 0.86 0.99 1.02 -0.02 -3.98 118.68 117.38 3bzm s LEU 348 Ca 0.00 1.01 -0.11 0.00 0.02 0.00 0.00 54.13 55.05 3bzm s LEU 348 Cb 0.00 1.59 0.11 0.00 0.02 0.00 0.00 46.19 47.92 3bzm s LEU 348 CO 0.00 -0.19 1.15 -2.16 0.02 0.00 0.00 176.35 175.16 3bzm s PRO 349 N 1.13 1.43 0.21 1.29 0.04 -1.26 -2.00 135.00 135.83 3bzm s PRO 349 Ca -0.07 1.51 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 3bzm s PRO 349 Cb -0.06 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.89 3bzm s PRO 349 CO -0.10 -2.32 1.57 0.00 0.04 0.00 0.00 177.00 176.19 3bzm h ARG 350 N -1.49 -0.09 0.80 4.56 3.08 -1.97 -1.44 114.38 117.83 3bzm h ARG 350 Ca -0.44 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 3bzm h ARG 350 Cb 1.27 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.34 3bzm h ARG 350 CO 0.45 -0.06 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.47 3bzm h ASP 351 N -0.09 -0.90 -0.87 7.04 5.19 -1.99 -2.76 116.42 122.04 3bzm h ASP 351 Ca 0.29 0.02 0.10 0.00 -0.62 0.00 0.00 57.03 56.82 3bzm h ASP 351 Cb 0.57 0.23 -0.08 0.00 0.18 0.00 0.00 39.33 40.24 3bzm h ASP 351 CO -0.81 -0.56 0.51 -0.07 -3.12 0.00 0.00 179.24 175.19 3bzm h LEU 352 N -1.23 0.74 -0.16 1.55 3.38 -1.96 -0.44 115.31 117.20 3bzm h LEU 352 Ca -0.11 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3bzm h LEU 352 Cb 0.83 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3bzm h LEU 352 CO 0.18 0.42 -0.03 0.00 0.09 0.00 0.00 178.44 179.10 3bzm h ALA 353 N 1.47 0.22 -0.54 1.53 0.00 -1.35 -1.80 119.26 118.79 3bzm h ALA 353 Ca 0.42 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3bzm h ALA 353 Cb 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3bzm h ALA 353 CO -0.25 -0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.32 3bzm h ARG 354 N 0.01 0.64 -0.21 0.00 3.08 -1.17 -2.33 114.38 114.40 3bzm h ARG 354 Ca 0.04 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3bzm h ARG 354 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3bzm h ARG 354 CO 0.01 0.43 -0.57 1.96 -1.07 0.00 0.00 179.97 180.73 3bzm h GLN 355 N 0.66 0.65 -0.37 0.04 4.20 -0.85 -0.53 115.11 118.92 3bzm h GLN 355 Ca 0.21 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3bzm h GLN 355 Cb 0.03 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3bzm h GLN 355 CO -0.05 1.04 0.18 0.35 -0.67 0.00 0.00 178.83 179.68 3bzm h PHE 356 N 0.50 0.53 0.00 2.96 3.57 -0.99 -0.76 116.94 122.75 3bzm h PHE 356 Ca 0.01 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3bzm h PHE 356 Cb 1.14 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3bzm h PHE 356 CO 0.06 0.45 -0.00 0.82 -2.23 0.00 0.00 178.31 177.40 3bzm h ILE 357 N 0.46 1.01 -0.75 1.41 2.04 -1.28 -1.95 117.51 118.46 3bzm h ILE 357 Ca 0.13 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3bzm h ILE 357 Cb 0.12 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3bzm h ILE 357 CO -0.02 0.01 0.43 0.00 0.00 0.00 0.00 178.15 178.58 3bzm h ALA 358 N 0.97 1.02 -0.28 1.87 0.00 -1.04 -2.31 119.26 119.49 3bzm h ALA 358 Ca -0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3bzm h ALA 358 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3bzm h ALA 358 CO 0.00 0.13 -0.27 -0.09 0.00 0.00 0.00 179.25 179.01 3bzm h ARG 359 N 0.79 0.56 0.00 0.00 2.43 -0.80 -3.40 114.38 113.95 3bzm h ARG 359 Ca 0.33 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3bzm h ARG 359 Cb 0.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3bzm h ARG 359 CO -0.19 0.78 -0.80 0.72 -1.51 0.00 0.00 179.97 178.97 3bzm n HIS 360 N -4.10 0.00 -2.11 2.20 8.25 -0.76 -5.04 115.22 113.66 3bzm n HIS 360 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3bzm n HIS 360 Cb 0.43 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3bzm n HIS 360 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3bzm s GLU 361 N -1.66 4.30 0.00 -0.41 2.02 -0.89 -4.93 118.70 117.13 3bzm s GLU 361 Ca 0.00 2.16 0.11 0.00 0.02 0.00 0.00 54.97 57.26 3bzm s GLU 361 Cb 0.00 -3.21 0.64 0.00 0.10 0.00 0.00 34.13 31.66 3bzm s GLU 361 CO 0.00 -0.46 1.24 -0.35 0.02 0.00 0.00 175.26 175.71 3bzm n PRO 362 N 3.72 0.78 -3.63 0.39 -0.04 -1.26 -4.80 135.00 130.16 3bzm n PRO 362 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 3bzm n PRO 362 Cb 0.41 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 3bzm n PRO 362 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3bzm s PHE 363 N -2.00 -0.38 0.12 0.54 -0.12 -1.26 -4.98 117.98 109.90 3bzm s PHE 363 Ca 0.16 0.52 -0.30 0.00 -0.05 0.00 0.00 56.93 57.26 3bzm s PHE 363 Cb 0.07 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.67 3bzm s PHE 363 CO 0.12 -0.56 1.14 0.99 -0.05 0.00 0.00 175.22 176.87 3bzm s THR 364 N -1.87 3.96 0.59 -4.49 2.01 -1.26 -4.94 115.64 109.63 3bzm s THR 364 Ca -0.09 1.55 0.35 0.00 0.31 0.00 0.00 61.69 63.81 3bzm s THR 364 Cb -0.02 -3.99 0.38 0.00 0.01 0.00 0.00 72.50 68.89 3bzm s THR 364 CO 0.02 0.20 2.28 0.03 -0.69 0.00 0.00 174.62 176.46 3bzm h ARG 365 N 5.87 0.00 0.00 4.92 3.08 -1.99 -3.47 114.38 122.79 3bzm h ARG 365 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3bzm h ARG 365 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3bzm h ARG 365 CO 0.76 0.01 0.00 -1.91 -1.07 0.00 0.00 179.97 177.76 3bzm n GLU 366 N -3.55 0.00 0.16 0.04 2.13 -1.26 -0.25 120.64 117.91 3bzm n GLU 366 Ca -0.03 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.92 3bzm n GLU 366 Cb 0.10 0.00 0.36 0.00 0.27 0.00 0.00 31.44 32.17 3bzm n GLU 366 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3bzm h TRP 367 N 0.00 0.00 -2.36 4.31 4.06 -1.90 -0.72 115.95 119.34 3bzm h TRP 367 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 3bzm h TRP 367 Cb 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 28.21 3bzm h TRP 367 CO 0.00 0.00 0.98 0.98 -3.56 0.00 0.00 178.44 176.84 3bzm n TYR 368 N -2.61 2.47 -1.15 0.49 9.36 0.65 -2.19 117.16 124.18 3bzm n TYR 368 Ca 0.04 0.05 -0.05 0.00 3.32 0.00 0.00 57.90 61.26 3bzm n TYR 368 Cb 0.43 -2.64 -0.02 0.00 -0.63 0.00 0.00 39.34 36.47 3bzm n TYR 368 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bzm n ALA 369 N 4.78 -0.08 -1.21 2.98 0.00 -0.66 -4.21 120.51 122.12 3bzm n ALA 369 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3bzm n ALA 369 Cb 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3bzm n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzm n GLY 370 N -1.65 1.06 3.26 0.00 0.00 -0.93 -4.61 105.19 102.32 3bzm n GLY 370 Ca -0.05 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3bzm n GLY 370 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bzm s SER 371 N -1.00 0.09 -0.04 1.61 1.04 -0.72 -0.26 113.70 114.41 3bzm s SER 371 Ca 0.00 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 3bzm s SER 371 Cb 0.00 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3bzm s SER 371 CO 0.00 -0.80 0.15 0.00 0.98 0.00 0.00 173.24 173.56 3bzm s ALA 372 N -3.91 -0.36 0.00 5.32 0.00 -0.71 -0.60 121.76 121.50 3bzm s ALA 372 Ca 0.11 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3bzm s ALA 372 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3bzm s ALA 372 CO -0.06 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3bzm n GLY 373 N 2.61 -0.09 3.26 0.00 0.00 -0.67 -1.10 105.19 109.20 3bzm n GLY 373 Ca -0.15 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 3bzm n GLY 373 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bzm s TYR 374 N -4.00 0.23 0.03 1.61 -0.85 -0.76 -1.60 117.35 112.01 3bzm s TYR 374 Ca 0.00 -0.63 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 3bzm s TYR 374 Cb 0.00 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 3bzm s TYR 374 CO 0.00 -0.61 -0.05 -0.48 -1.52 0.00 0.00 175.55 172.88 3bzm s LEU 375 N -2.90 2.19 0.24 -3.49 2.34 -0.58 -1.65 118.68 114.84 3bzm s LEU 375 Ca 0.09 -0.42 -0.00 0.00 0.06 0.00 0.00 54.13 53.86 3bzm s LEU 375 Cb 0.04 -0.09 -0.03 0.00 -0.56 0.00 0.00 46.19 45.55 3bzm s LEU 375 CO -0.07 -0.17 0.20 -0.94 -1.06 0.00 0.00 176.35 174.30 3bzm s SER 376 N -1.20 0.48 0.15 1.48 1.04 -0.29 -0.24 113.70 115.12 3bzm s SER 376 Ca -0.09 -1.44 -0.15 0.00 0.48 0.00 0.00 55.95 54.75 3bzm s SER 376 Cb -0.08 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3bzm s SER 376 CO -0.00 -0.92 1.76 -0.07 0.98 0.00 0.00 173.24 174.98 3bzm h LEU 377 N 2.48 0.56 -0.88 2.42 -0.00 -1.65 -3.18 115.31 115.05 3bzm h LEU 377 Ca -0.33 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.88 57.35 3bzm h LEU 377 Cb 1.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 3bzm h LEU 377 CO 0.48 0.49 -0.53 0.06 -0.00 0.00 0.00 178.44 178.93 3bzm h GLN 378 N 0.59 0.07 -2.41 1.13 3.07 -1.71 -3.45 115.11 112.39 3bzm h GLN 378 Ca 0.16 -0.04 0.09 0.00 0.09 0.00 0.00 58.65 58.95 3bzm h GLN 378 Cb 0.05 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 27.47 3bzm h GLN 378 CO -0.03 0.59 0.44 1.14 0.09 0.00 0.00 178.83 181.06 3bzm s GLN 379 N -3.83 0.93 0.02 0.06 -2.07 -1.20 -0.73 119.66 112.83 3bzm s GLN 379 Ca -0.02 -0.35 -0.21 0.00 -1.82 0.00 0.00 55.36 52.95 3bzm s GLN 379 Cb 0.13 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 32.51 3bzm s GLN 379 CO 0.76 -0.41 0.47 -1.54 -1.32 0.00 0.00 175.29 173.26 3bzm s SER 380 N -2.56 -0.38 -0.17 12.60 1.04 0.11 -1.14 113.70 123.20 3bzm s SER 380 Ca 0.05 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 3bzm s SER 380 Cb -0.01 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.62 3bzm s SER 380 CO -0.09 -0.64 0.40 -0.70 0.98 0.00 0.00 173.24 173.18 3bzm s GLU 381 N -2.10 0.36 0.00 4.02 2.12 -0.66 -0.88 118.70 121.56 3bzm s GLU 381 Ca -0.07 0.81 0.07 0.00 0.36 0.00 0.00 54.97 56.13 3bzm s GLU 381 Cb -0.01 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3bzm s GLU 381 CO 0.01 -0.18 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.29 3bzm s PHE 382 N 1.63 1.81 0.35 5.30 0.08 -0.60 -1.82 117.98 124.72 3bzm s PHE 382 Ca -0.08 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.69 3bzm s PHE 382 Cb -0.09 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 3bzm s PHE 382 CO -0.12 0.00 0.39 0.00 -0.10 0.00 0.00 175.22 175.40 3bzm s VAL 384 N -2.26 4.65 -0.82 0.00 1.01 0.71 -1.74 120.40 121.96 3bzm s VAL 384 Ca 0.44 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 3bzm s VAL 384 Cb -0.08 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 3bzm s VAL 384 CO 0.29 0.55 3.18 -1.20 0.00 0.00 0.00 175.10 177.92 3bzm n SER 385 N 1.70 7.04 -4.94 3.32 7.64 0.64 -4.71 113.62 124.30 3bzm n SER 385 Ca -0.09 -2.63 -0.24 0.00 1.01 0.00 0.00 58.87 56.91 3bzm n SER 385 Cb 0.50 -1.46 0.02 0.00 -1.01 0.00 0.00 64.21 62.26 3bzm n SER 385 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3bzm s LEU 386 N -0.30 3.50 -1.24 -3.43 1.02 -1.26 -1.65 118.68 115.32 3bzm s LEU 386 Ca 0.66 0.41 -0.02 0.00 0.02 0.00 0.00 54.13 55.20 3bzm s LEU 386 Cb 0.26 -3.28 -0.01 0.00 0.02 0.00 0.00 46.19 43.18 3bzm s LEU 386 CO -0.05 -0.83 0.79 0.54 0.02 0.00 0.00 176.35 176.82 3bzm n ARG 387 N -2.25 -4.70 -4.36 1.70 5.12 -1.26 -4.00 116.66 106.91 3bzm n ARG 387 Ca 0.03 0.68 -0.18 0.00 -1.93 0.00 0.00 57.85 56.45 3bzm n ARG 387 Cb 0.58 -5.31 -0.10 0.00 -1.16 0.00 0.00 32.46 26.46 3bzm n ARG 387 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3bzm s SER 388 N -4.19 1.92 -0.05 0.55 1.04 -1.26 -1.73 113.70 109.98 3bzm s SER 388 Ca 0.09 -1.26 -0.08 0.00 0.48 0.00 0.00 55.95 55.18 3bzm s SER 388 Cb -0.02 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3bzm s SER 388 CO 0.79 -0.54 0.19 0.00 0.98 0.00 0.00 173.24 174.66 3bzm s ALA 389 N -3.40 -0.47 -0.20 5.32 0.00 0.81 -2.63 121.76 121.17 3bzm s ALA 389 Ca 0.31 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 3bzm s ALA 389 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3bzm s ALA 389 CO 0.11 -0.14 0.05 0.21 0.00 0.00 0.00 175.76 175.99 3bzm s LYS 390 N -0.39 3.80 -0.23 0.00 2.36 -0.34 -1.05 119.74 123.90 3bzm s LYS 390 Ca -0.05 -0.42 -0.03 0.00 -2.55 0.00 0.00 55.97 52.92 3bzm s LYS 390 Cb -0.03 -3.21 0.00 0.00 -1.05 0.00 0.00 37.83 33.54 3bzm s LYS 390 CO 0.01 0.09 -0.05 0.42 1.55 0.00 0.00 175.35 177.37 3bzm s ILE 391 N 0.86 3.22 -0.27 5.43 1.01 0.15 -1.09 121.20 130.50 3bzm s ILE 391 Ca 0.03 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3bzm s ILE 391 Cb -0.14 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.91 3bzm s ILE 391 CO 0.02 0.37 0.04 -0.44 0.00 0.00 0.00 174.94 174.93 3bzm s SER 392 N 1.44 3.88 1.39 3.58 0.01 -0.42 -0.52 113.70 123.05 3bzm s SER 392 Ca 0.04 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.87 3bzm s SER 392 Cb -0.15 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.09 3bzm s SER 392 CO -0.04 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.88 3bzm n GLY 393 N 4.76 1.32 0.27 3.44 0.00 0.13 -1.88 105.19 113.23 3bzm n GLY 393 Ca -0.05 0.49 0.11 0.00 0.00 0.00 0.00 46.02 46.56 3bzm n GLY 393 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bzm n ASN 394 N 9.54 1.53 -4.80 1.61 4.13 -1.26 -1.74 115.26 124.27 3bzm n ASN 394 Ca 0.00 -1.26 -0.36 0.00 1.68 0.00 0.00 54.58 54.64 3bzm n ASN 394 Cb 0.00 0.70 -0.07 0.00 -1.54 0.00 0.00 39.78 38.87 3bzm n ASN 394 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bzm s VAL 395 N -2.72 5.40 -0.15 2.41 1.01 -0.79 -0.91 120.40 124.65 3bzm s VAL 395 Ca 0.14 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 3bzm s VAL 395 Cb 0.17 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3bzm s VAL 395 CO 0.71 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 175.50 3bzm s VAL 396 N -0.31 2.87 -0.29 2.92 1.01 0.86 -1.30 120.40 126.15 3bzm s VAL 396 Ca 0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3bzm s VAL 396 Cb -0.12 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.08 3bzm s VAL 396 CO 0.03 0.51 0.02 -0.60 0.00 0.00 0.00 175.10 175.05 3bzm s ARG 397 N 0.69 2.67 0.03 2.72 3.52 -0.25 0.78 118.95 129.11 3bzm s ARG 397 Ca -0.07 -1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 54.31 3bzm s ARG 397 Cb -0.15 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 3bzm s ARG 397 CO 0.02 -0.55 0.37 -0.51 -0.81 0.00 0.00 175.30 173.82 3bzm s LEU 398 N 1.34 4.40 0.00 -0.88 1.43 0.11 -1.19 118.68 123.88 3bzm s LEU 398 Ca -0.02 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 3bzm s LEU 398 Cb -0.19 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 3bzm s LEU 398 CO -0.01 0.25 -0.23 -0.31 0.23 0.00 0.00 176.35 176.28 3bzm s TYR 399 N -1.25 2.05 -0.26 0.29 1.51 -1.08 -1.30 117.35 117.31 3bzm s TYR 399 Ca 0.28 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.72 3bzm s TYR 399 Cb -0.15 -1.29 0.07 0.00 -0.11 0.00 0.00 41.96 40.49 3bzm s TYR 399 CO 0.15 0.01 0.68 0.00 -1.11 0.00 0.00 175.55 175.29 3bzm s ALA 400 N -0.62 -1.71 0.15 3.71 0.00 -1.08 -4.33 121.76 117.88 3bzm s ALA 400 Ca 0.09 1.98 0.08 0.00 0.00 0.00 0.00 51.96 54.11 3bzm s ALA 400 Cb -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 3bzm s ALA 400 CO 0.00 -0.33 -0.18 0.20 0.00 0.00 0.00 175.76 175.45 3bzm s GLY 401 N 0.52 1.32 -0.02 0.00 0.00 -1.26 -0.57 107.32 107.30 3bzm s GLY 401 Ca -0.01 -1.43 0.04 0.00 0.00 0.00 0.00 44.72 43.32 3bzm s GLY 401 CO -0.02 -1.47 -0.14 0.00 0.00 0.00 0.00 173.10 171.48 3bzm s ALA 402 N -1.95 1.17 -1.07 3.20 0.00 0.05 -4.82 121.76 118.35 3bzm s ALA 402 Ca 0.13 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.35 3bzm s ALA 402 Cb -0.06 -0.35 0.11 0.00 0.00 0.00 0.00 23.12 22.83 3bzm s ALA 402 CO 0.06 0.25 1.36 0.20 0.00 0.00 0.00 175.76 177.62 3bzm s GLY 403 N -0.13 1.84 0.20 0.00 0.00 -1.26 -1.24 107.32 106.73 3bzm s GLY 403 Ca 0.02 -2.80 -0.33 0.00 0.00 0.00 0.00 44.72 41.61 3bzm s GLY 403 CO 0.00 2.28 1.48 1.39 0.00 0.00 0.00 173.10 178.26 3bzm n ILE 404 N 5.75 0.49 -0.03 0.90 2.08 -0.51 -4.83 119.36 123.22 3bzm n ILE 404 Ca 0.32 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.51 3bzm n ILE 404 Cb 0.48 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 3bzm n ILE 404 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3bzm n VAL 405 N 2.61 0.00 0.00 1.39 0.31 -1.26 -1.78 118.33 119.59 3bzm n VAL 405 Ca 0.14 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3bzm n VAL 405 Cb 0.30 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.26 3bzm n VAL 405 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3bzm n ARG 406 N -0.10 0.00 0.11 5.55 1.85 -1.26 -4.80 116.66 118.00 3bzm n ARG 406 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 3bzm n ARG 406 Cb 0.01 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 31.63 3bzm n ARG 406 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 3bzm h GLY 407 N 0.00 0.00 0.00 2.89 0.00 -1.99 -3.45 103.07 100.51 3bzm h GLY 407 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bzm h GLY 407 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3bzm n SER 408 N -2.41 0.00 -0.72 0.19 7.64 -1.26 -4.94 113.62 112.12 3bzm n SER 408 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3bzm n SER 408 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3bzm n SER 408 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bzm n ASP 409 N -0.12 -0.96 0.00 6.43 2.03 -1.26 -4.71 116.55 117.96 3bzm n ASP 409 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3bzm n ASP 409 Cb 0.00 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 3bzm n ASP 409 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3bzm n PRO 410 N 0.51 0.00 -0.20 -0.67 -0.01 -1.26 -2.31 135.00 131.06 3bzm n PRO 410 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 3bzm n PRO 410 Cb 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 33.50 33.74 3bzm n PRO 410 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 3bzm h GLU 411 N 0.00 0.95 -0.19 -0.52 4.57 -1.97 -1.34 114.58 116.09 3bzm h GLU 411 Ca 0.00 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3bzm h GLU 411 Cb 0.00 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3bzm h GLU 411 CO 0.00 0.66 0.05 0.37 -1.18 0.00 0.00 179.01 178.90 3bzm h GLN 412 N 0.98 0.29 -0.52 1.92 4.15 -1.77 -1.39 115.11 118.77 3bzm h GLN 412 Ca 0.26 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 3bzm h GLN 412 Cb -0.07 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3bzm h GLN 412 CO -0.05 0.42 0.05 0.93 -1.93 0.00 0.00 178.83 178.25 3bzm h GLU 413 N 0.12 0.85 -0.38 1.69 4.39 -1.22 -1.37 114.58 118.66 3bzm h GLU 413 Ca 0.06 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.59 3bzm h GLU 413 Cb 0.25 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3bzm h GLU 413 CO -0.00 0.82 0.12 2.35 -1.16 0.00 0.00 179.01 181.14 3bzm h TRP 414 N 0.80 0.21 -0.50 4.33 2.91 -1.25 0.25 115.95 122.70 3bzm h TRP 414 Ca 0.16 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.23 3bzm h TRP 414 Cb 0.41 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.99 3bzm h TRP 414 CO 0.02 0.07 0.29 1.96 -1.03 0.00 0.00 178.44 179.75 3bzm h GLN 415 N 0.26 0.56 -0.53 2.65 1.08 -0.75 -0.60 115.11 117.78 3bzm h GLN 415 Ca 0.17 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.41 3bzm h GLN 415 Cb 0.17 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 3bzm h GLN 415 CO -0.19 0.37 0.20 1.49 -0.95 0.00 0.00 178.83 179.75 3bzm h GLU 416 N 0.57 0.38 -0.58 1.46 4.81 -0.89 -2.24 114.58 118.10 3bzm h GLU 416 Ca 0.20 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3bzm h GLU 416 Cb 0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3bzm h GLU 416 CO -0.10 0.25 0.15 -0.84 -0.73 0.00 0.00 179.01 177.74 3bzm h ILE 417 N 0.39 1.23 -0.61 2.32 3.07 -0.38 -1.99 117.51 121.54 3bzm h ILE 417 Ca 0.25 -0.84 0.12 0.00 1.55 0.00 0.00 64.86 65.95 3bzm h ILE 417 Cb 0.27 0.63 -0.09 0.00 -0.27 0.00 0.00 36.82 37.35 3bzm h ILE 417 CO -0.25 0.32 0.10 0.44 -1.05 0.00 0.00 178.15 177.71 3bzm h ASP 418 N 0.86 -0.06 0.20 2.16 5.19 -0.76 -0.31 116.42 123.71 3bzm h ASP 418 Ca 0.19 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.65 3bzm h ASP 418 Cb 0.30 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3bzm h ASP 418 CO -0.00 -0.02 -0.29 0.78 -3.12 0.00 0.00 179.24 176.59 3bzm h ASN 419 N 0.23 0.15 -0.03 6.45 2.35 -1.09 -1.36 115.58 122.28 3bzm h ASN 419 Ca 0.33 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.87 3bzm h ASN 419 Cb 0.50 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3bzm h ASN 419 CO -0.44 0.44 -0.62 0.11 -1.65 0.00 0.00 177.43 175.26 3bzm h LYS 420 N 0.13 0.48 0.00 0.81 1.57 -0.85 -3.15 116.57 115.55 3bzm h LYS 420 Ca 0.02 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3bzm h LYS 420 Cb 0.58 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3bzm h LYS 420 CO 0.04 1.12 0.00 0.00 -0.57 0.00 0.00 179.45 180.04 3bzm h ALA 421 N 0.37 1.00 -0.57 3.86 0.00 -1.00 -3.31 119.26 119.61 3bzm h ALA 421 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3bzm h ALA 421 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3bzm h ALA 421 CO 0.12 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.41 3bzm h ALA 422 N 2.05 0.76 -0.46 0.00 0.00 -1.20 0.02 119.26 120.43 3bzm h ALA 422 Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.76 3bzm h ALA 422 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bzm h ALA 422 CO 0.00 0.56 0.47 0.78 0.00 0.00 0.00 179.25 181.06 3bzm h GLY 423 N 0.87 0.00 0.00 0.00 0.00 -1.74 -0.62 103.07 101.58 3bzm h GLY 423 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.20 3bzm h GLY 423 CO 0.02 0.00 -2.11 1.04 0.00 0.00 0.00 176.54 175.50 3bzm n LEU 424 N -3.77 2.13 -0.11 3.11 4.32 -0.88 -4.59 117.00 117.22 3bzm n LEU 424 Ca 0.08 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3bzm n LEU 424 Cb 0.66 -0.39 0.28 0.00 -1.62 0.00 0.00 43.42 42.35 3bzm n LEU 424 CO 0.28 0.71 1.10 -0.09 -1.22 0.00 0.00 177.39 178.17 3bzm h ARG 425 N 0.00 0.76 0.00 3.23 2.43 -0.07 -2.25 114.38 118.48 3bzm h ARG 425 Ca -0.43 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3bzm h ARG 425 Cb 1.76 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 3bzm h ARG 425 CO -0.04 0.59 0.00 0.25 -1.51 0.00 0.00 179.97 179.26 3bzm n THR 426 N -4.37 1.04 0.85 0.20 -2.24 -0.33 -1.46 114.28 107.97 3bzm n THR 426 Ca 0.05 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 3bzm n THR 426 Cb 0.13 -1.06 0.20 0.00 -2.10 0.00 0.00 70.33 67.50 3bzm n THR 426 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3bzm n LEU 427 N -1.43 0.57 -0.00 3.22 4.77 -0.85 -4.26 117.00 119.02 3bzm n LEU 427 Ca 0.04 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3bzm n LEU 427 Cb 0.12 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3bzm n LEU 427 CO 0.10 0.08 -0.02 0.18 -1.33 0.00 0.00 177.39 176.39 3bzm n LEU 428 N -1.69 0.10 0.00 2.23 4.77 -0.54 -5.08 117.00 116.80 3bzm n LEU 428 Ca 0.05 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3bzm n LEU 428 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3bzm n LEU 428 CO 0.36 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.45