#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkj h ASN 3 N 0.00 0.81 -0.16 0.53 7.08 -2.05 -2.31 115.58 119.48 2bkj h ASN 3 Ca 0.00 -0.17 -0.00 0.00 -3.08 0.00 0.00 56.30 53.05 2bkj h ASN 3 Cb 0.00 -0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 36.02 2bkj h ASN 3 CO 0.00 0.83 0.08 0.74 -2.08 0.00 0.00 177.43 177.01 2bkj h THR 4 N 0.82 1.10 -0.35 6.14 2.02 -2.03 -0.95 112.91 119.66 2bkj h THR 4 Ca 0.17 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2bkj h THR 4 Cb 0.37 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2bkj h THR 4 CO 0.01 0.09 -0.14 0.40 0.37 0.00 0.00 175.52 176.25 2bkj h ILE 5 N 0.15 1.25 -0.61 3.11 2.04 -1.99 -1.87 117.51 119.59 2bkj h ILE 5 Ca 0.05 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 2bkj h ILE 5 Cb 0.07 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2bkj h ILE 5 CO -0.01 0.37 0.17 -0.33 0.00 0.00 0.00 178.15 178.35 2bkj h GLU 6 N 0.57 0.97 -0.41 2.37 5.08 -1.16 -1.48 114.58 120.52 2bkj h GLU 6 Ca 0.10 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2bkj h GLU 6 Cb 0.56 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2bkj h GLU 6 CO 0.04 0.87 0.07 1.15 -1.00 0.00 0.00 179.01 180.14 2bkj h THR 7 N 0.88 1.24 -0.26 1.13 2.02 -0.92 -2.10 112.91 114.90 2bkj h THR 7 Ca 0.19 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2bkj h THR 7 Cb 0.33 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2bkj h THR 7 CO -0.00 0.30 0.17 0.40 0.37 0.00 0.00 175.52 176.76 2bkj h ILE 8 N 0.54 1.07 0.00 3.11 2.04 -1.13 -2.89 117.51 120.24 2bkj h ILE 8 Ca 0.13 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2bkj h ILE 8 Cb 0.37 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2bkj h ILE 8 CO 0.01 0.07 -0.03 -0.07 0.00 0.00 0.00 178.15 178.12 2bkj h LEU 9 N 0.35 0.00 -0.71 1.44 3.38 -1.22 -3.04 115.31 115.51 2bkj h LEU 9 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2bkj h LEU 9 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2bkj h LEU 9 CO -0.02 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2bkj n ALA 10 N -2.11 2.57 -1.77 1.53 0.00 -0.80 -4.95 120.51 114.98 2bkj n ALA 10 Ca 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 2bkj n ALA 10 Cb 0.37 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2bkj n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bkj s HIS 11 N -1.91 2.60 -0.28 0.00 5.65 -1.15 -4.96 115.29 115.24 2bkj s HIS 11 Ca 0.35 1.24 -0.22 0.00 0.25 0.00 0.00 55.06 56.67 2bkj s HIS 11 Cb 0.18 -3.93 0.08 0.00 -1.18 0.00 0.00 32.58 27.73 2bkj s HIS 11 CO 0.28 -2.81 0.77 -0.98 -0.65 0.00 0.00 174.74 171.35 2bkj s ARG 12 N -2.20 0.74 0.15 2.88 3.03 -1.26 -4.69 118.95 117.59 2bkj s ARG 12 Ca 0.55 0.99 -0.31 0.00 2.03 0.00 0.00 55.73 58.99 2bkj s ARG 12 Cb -0.44 0.30 -0.09 0.00 -1.03 0.00 0.00 34.95 33.69 2bkj s ARG 12 CO 0.59 -0.11 1.43 -1.12 -1.13 0.00 0.00 175.30 174.96 2bkj s SER 13 N 0.72 6.76 -0.21 -2.89 0.01 -1.26 -4.72 113.70 112.11 2bkj s SER 13 Ca -0.03 2.43 -0.07 0.00 1.31 0.00 0.00 55.95 59.59 2bkj s SER 13 Cb -0.05 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2bkj s SER 13 CO -0.06 -0.69 0.07 -0.63 0.41 0.00 0.00 173.24 172.34 2bkj s ILE 14 N 0.92 4.62 -0.10 1.44 -1.09 -0.67 -4.90 121.20 121.42 2bkj s ILE 14 Ca 0.65 -0.08 0.15 0.00 -2.23 0.00 0.00 60.65 59.13 2bkj s ILE 14 Cb -0.39 -3.11 0.23 0.00 -1.58 0.00 0.00 42.46 37.61 2bkj s ILE 14 CO 0.32 0.40 1.11 0.54 -1.23 0.00 0.00 174.94 176.09 2bkj n ARG 15 N 4.13 1.30 -3.68 2.79 1.74 -1.26 -4.09 116.66 117.59 2bkj n ARG 15 Ca -0.16 -2.30 -0.16 0.00 -0.77 0.00 0.00 57.85 54.46 2bkj n ARG 15 Cb 0.52 -1.34 -0.15 0.00 -1.02 0.00 0.00 32.46 30.46 2bkj n ARG 15 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2bkj s LYS 16 N -2.39 0.05 0.18 5.56 2.36 -1.26 -4.65 119.74 119.59 2bkj s LYS 16 Ca 0.25 0.54 0.08 0.00 -2.55 0.00 0.00 55.97 54.29 2bkj s LYS 16 Cb 0.22 -0.25 -0.04 0.00 -1.05 0.00 0.00 37.83 36.71 2bkj s LYS 16 CO 0.02 -0.28 -0.17 -0.06 1.55 0.00 0.00 175.35 176.42 2bkj s PHE 17 N 2.10 1.76 0.71 4.03 0.08 -1.26 -0.67 117.98 124.72 2bkj s PHE 17 Ca 0.01 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 2bkj s PHE 17 Cb -0.12 -0.85 0.09 0.00 -0.57 0.00 0.00 43.02 41.57 2bkj s PHE 17 CO -0.06 0.34 1.01 0.95 -0.10 0.00 0.00 175.22 177.35 2bkj s THR 18 N -2.40 2.28 -1.58 0.64 -4.23 -0.33 -4.78 115.64 105.23 2bkj s THR 18 Ca 0.18 -0.38 0.31 0.00 -1.18 0.00 0.00 61.69 60.62 2bkj s THR 18 Cb -0.04 -2.90 0.60 0.00 1.34 0.00 0.00 72.50 71.50 2bkj s THR 18 CO 0.07 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.22 2bkj n ALA 19 N -2.91 2.55 -2.01 3.99 0.00 -1.26 -4.69 120.51 116.19 2bkj n ALA 19 Ca 0.10 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2bkj n ALA 19 Cb 0.60 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2bkj n ALA 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bkj s VAL 20 N -2.44 3.58 0.78 0.00 1.01 -1.26 -4.99 120.40 117.08 2bkj s VAL 20 Ca 0.33 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 2bkj s VAL 20 Cb 0.21 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 33.17 2bkj s VAL 20 CO 0.44 -0.08 1.08 -2.16 0.00 0.00 0.00 175.10 174.38 2bkj s PRO 21 N 4.12 2.26 -0.19 2.72 0.04 -1.26 -4.46 135.00 138.23 2bkj s PRO 21 Ca 0.74 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 2bkj s PRO 21 Cb -0.33 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2bkj s PRO 21 CO 0.30 -1.55 0.50 0.42 0.04 0.00 0.00 177.00 176.71 2bkj s ILE 22 N -3.05 5.12 0.85 0.56 1.01 -1.26 -5.00 121.20 119.44 2bkj s ILE 22 Ca 0.60 0.93 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 2bkj s ILE 22 Cb -0.15 -3.83 0.11 0.00 0.01 0.00 0.00 42.46 38.60 2bkj s ILE 22 CO 0.55 0.20 1.13 0.42 0.00 0.00 0.00 174.94 177.24 2bkj s THR 23 N 1.50 2.53 0.31 2.92 -4.23 -1.26 -4.81 115.64 112.60 2bkj s THR 23 Ca 0.24 0.18 -0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2bkj s THR 23 Cb -0.15 -2.40 0.22 0.00 1.34 0.00 0.00 72.50 71.51 2bkj s THR 23 CO 0.09 -0.22 1.93 0.44 -0.54 0.00 0.00 174.62 176.32 2bkj h ASP 24 N -1.51 0.82 -0.58 3.99 3.32 -1.99 -1.59 116.42 118.88 2bkj h ASP 24 Ca -0.43 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 2bkj h ASP 24 Cb 1.26 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2bkj h ASP 24 CO 0.46 0.67 0.20 -0.33 -1.72 0.00 0.00 179.24 178.51 2bkj h GLU 25 N 0.92 0.88 -0.33 3.56 3.07 -1.99 -1.14 114.58 119.56 2bkj h GLU 25 Ca 0.23 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 2bkj h GLU 25 Cb 0.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2bkj h GLU 25 CO -0.04 0.78 -0.05 1.96 -1.40 0.00 0.00 179.01 180.26 2bkj h GLN 26 N 0.80 0.61 -0.61 2.33 4.20 -1.83 -2.41 115.11 118.20 2bkj h GLN 26 Ca 0.19 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2bkj h GLN 26 Cb 0.25 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2bkj h GLN 26 CO -0.01 0.77 0.23 -0.09 -0.67 0.00 0.00 178.83 179.06 2bkj h ARG 27 N 0.40 0.92 -0.78 1.46 2.43 -1.18 -1.13 114.38 116.49 2bkj h ARG 27 Ca 0.09 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2bkj h ARG 27 Cb 0.53 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 2bkj h ARG 27 CO 0.03 0.79 0.33 1.96 -1.51 0.00 0.00 179.97 181.57 2bkj h GLN 28 N 0.86 1.16 -0.49 0.20 4.20 -1.18 -1.58 115.11 118.27 2bkj h GLN 28 Ca 0.20 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2bkj h GLN 28 Cb 0.22 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2bkj h GLN 28 CO -0.01 0.92 -0.20 1.15 -0.67 0.00 0.00 178.83 180.02 2bkj h THR 29 N 1.13 1.27 -0.72 -0.54 2.02 -1.17 -0.66 112.91 114.24 2bkj h THR 29 Ca 0.26 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 2bkj h THR 29 Cb 0.18 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2bkj h THR 29 CO -0.03 0.47 0.33 0.40 0.37 0.00 0.00 175.52 177.07 2bkj h ILE 30 N 0.87 1.24 -0.33 3.11 2.04 -0.89 -0.33 117.51 123.22 2bkj h ILE 30 Ca 0.12 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 2bkj h ILE 30 Cb 0.78 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2bkj h ILE 30 CO 0.06 0.29 -0.09 0.40 0.00 0.00 0.00 178.15 178.81 2bkj h ILE 31 N 1.01 1.28 -0.62 -0.67 1.08 -1.14 -2.44 117.51 116.02 2bkj h ILE 31 Ca 0.25 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 2bkj h ILE 31 Cb 0.14 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 2bkj h ILE 31 CO -0.03 0.38 0.36 1.56 -0.69 0.00 0.00 178.15 179.73 2bkj h GLN 32 N 0.42 0.84 -0.64 2.37 7.50 -0.83 -1.08 115.11 123.69 2bkj h GLN 32 Ca 0.08 -0.07 -0.09 0.00 0.50 0.00 0.00 58.65 59.07 2bkj h GLN 32 Cb 0.60 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 2bkj h GLN 32 CO 0.04 0.59 0.06 0.00 -1.50 0.00 0.00 178.83 178.02 2bkj h ALA 33 N 1.55 0.85 -0.48 3.87 0.00 -0.88 -2.26 119.26 121.91 2bkj h ALA 33 Ca 0.22 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2bkj h ALA 33 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2bkj h ALA 33 CO -0.04 0.65 -0.10 0.78 0.00 0.00 0.00 179.25 180.54 2bkj h GLY 34 N 0.99 0.95 2.00 0.00 0.00 -0.84 -2.79 103.07 103.38 2bkj h GLY 34 Ca 0.19 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 2bkj h GLY 34 CO 0.02 0.66 -0.26 1.41 0.00 0.00 0.00 176.54 178.38 2bkj h LEU 35 N 0.79 0.00 0.00 3.11 3.38 -1.00 -2.70 115.31 118.88 2bkj h LEU 35 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2bkj h LEU 35 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2bkj h LEU 35 CO 0.04 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.83 2bkj n ALA 36 N -2.32 2.34 -1.70 1.53 0.00 -0.87 -4.84 120.51 114.66 2bkj n ALA 36 Ca -0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 2bkj n ALA 36 Cb 0.37 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 2bkj n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkj s ALA 37 N -2.11 2.75 0.62 0.00 0.00 -1.02 -5.01 121.76 116.99 2bkj s ALA 37 Ca 0.33 0.51 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 2bkj s ALA 37 Cb 0.16 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2bkj s ALA 37 CO 0.29 -0.70 1.29 -1.12 0.00 0.00 0.00 175.76 175.51 2bkj s SER 38 N -2.43 4.85 -0.05 0.00 0.01 -1.26 -5.02 113.70 109.80 2bkj s SER 38 Ca 0.66 2.60 0.02 0.00 1.31 0.00 0.00 55.95 60.54 2bkj s SER 38 Cb -0.17 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.45 2bkj s SER 38 CO 0.31 -1.84 -0.09 -0.55 0.41 0.00 0.00 173.24 171.49 2bkj s SER 39 N -1.36 1.39 -0.09 2.44 0.15 -1.26 -4.87 113.70 110.11 2bkj s SER 39 Ca 0.80 -0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 2bkj s SER 39 Cb -0.36 -0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 63.26 2bkj s SER 39 CO 0.40 0.01 2.01 -0.44 1.20 0.00 0.00 173.24 176.41 2bkj s SER 40 N 0.68 6.09 -1.72 5.45 0.01 -1.26 -1.94 113.70 121.01 2bkj s SER 40 Ca -0.12 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2bkj s SER 40 Cb -0.14 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2bkj s SER 40 CO 0.02 -1.40 0.00 -1.20 0.41 0.00 0.00 173.24 171.07 2bkj n SER 41 N 9.12 -4.39 -2.46 2.44 7.64 -1.26 -1.18 113.62 123.53 2bkj n SER 41 Ca 0.23 0.38 -0.19 0.00 1.01 0.00 0.00 58.87 60.30 2bkj n SER 41 Cb 0.43 -3.95 -0.01 0.00 -1.01 0.00 0.00 64.21 59.67 2bkj n SER 41 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2bkj n MET 42 N -2.17 -2.03 0.13 1.43 1.56 -0.82 -4.87 117.12 110.35 2bkj n MET 42 Ca -0.17 0.89 -0.01 0.00 -0.27 0.00 0.00 57.70 58.14 2bkj n MET 42 Cb 0.55 -5.55 0.20 0.00 2.15 0.00 0.00 33.22 30.57 2bkj n MET 42 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 2bkj h LEU 43 N -0.09 0.09 -3.11 -0.89 3.38 -1.39 -3.48 115.31 109.82 2bkj h LEU 43 Ca -0.44 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.19 2bkj h LEU 43 Cb 1.33 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 42.07 2bkj h LEU 43 CO 0.52 0.62 -0.64 0.00 0.09 0.00 0.00 178.44 179.03 2bkj n GLN 44 N -3.90 -1.39 -0.97 1.13 6.02 -1.26 -4.91 117.38 112.10 2bkj n GLN 44 Ca -0.02 0.99 -0.01 0.00 -0.01 0.00 0.00 57.00 57.95 2bkj n GLN 44 Cb 0.56 -4.00 0.34 0.00 1.02 0.00 0.00 30.24 28.16 2bkj n GLN 44 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2bkj n VAL 45 N -2.58 2.82 -4.94 5.09 0.24 -1.26 -4.95 118.33 112.76 2bkj n VAL 45 Ca -0.15 -1.50 -0.33 0.00 -2.04 0.00 0.00 64.34 60.32 2bkj n VAL 45 Cb 0.60 -0.34 -0.14 0.00 -1.47 0.00 0.00 33.84 32.49 2bkj n VAL 45 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bkj s VAL 46 N -2.85 2.85 0.02 3.34 1.01 -1.26 0.20 120.40 123.71 2bkj s VAL 46 Ca 0.54 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2bkj s VAL 46 Cb 0.42 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2bkj s VAL 46 CO 0.14 0.57 -0.19 -0.44 0.00 0.00 0.00 175.10 175.19 2bkj s SER 47 N -0.33 2.19 -0.11 3.32 0.01 -0.73 -4.89 113.70 113.16 2bkj s SER 47 Ca 0.02 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.87 2bkj s SER 47 Cb -0.13 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 2bkj s SER 47 CO 0.02 0.16 -0.19 -0.63 0.41 0.00 0.00 173.24 173.01 2bkj s ILE 48 N -0.67 2.50 -0.35 1.44 1.01 -1.26 -0.88 121.20 122.99 2bkj s ILE 48 Ca 0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 2bkj s ILE 48 Cb -0.08 -2.00 0.05 0.00 0.01 0.00 0.00 42.46 40.44 2bkj s ILE 48 CO 0.01 0.55 0.12 -0.69 0.00 0.00 0.00 174.94 174.92 2bkj s VAL 49 N 0.32 3.76 -0.21 2.92 1.01 0.19 -4.91 120.40 123.47 2bkj s VAL 49 Ca -0.15 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.36 2bkj s VAL 49 Cb -0.17 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2bkj s VAL 49 CO 0.07 -0.23 0.88 -0.60 0.00 0.00 0.00 175.10 175.23 2bkj s ARG 50 N 1.38 4.25 -0.48 2.72 3.52 -1.26 -1.04 118.95 128.04 2bkj s ARG 50 Ca -0.01 1.07 -0.14 0.00 -0.13 0.00 0.00 55.73 56.52 2bkj s ARG 50 Cb -0.20 -3.61 0.09 0.00 -1.56 0.00 0.00 34.95 29.67 2bkj s ARG 50 CO 0.02 -0.46 0.40 0.08 -0.81 0.00 0.00 175.30 174.53 2bkj s VAL 51 N 2.63 5.02 -0.47 7.11 1.01 -0.77 -4.87 120.40 130.06 2bkj s VAL 51 Ca 0.38 -1.29 0.19 0.00 0.00 0.00 0.00 61.98 61.27 2bkj s VAL 51 Cb -0.16 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.88 2bkj s VAL 51 CO 0.09 -0.67 0.61 0.35 0.00 0.00 0.00 175.10 175.49 2bkj n THR 52 N 5.16 0.00 -2.21 3.92 -2.24 -1.26 -4.43 114.28 113.21 2bkj n THR 52 Ca -0.12 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 2bkj n THR 52 Cb 0.42 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 2bkj n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bkj s ASP 53 N -3.48 6.60 0.35 3.42 -1.08 -1.26 -4.90 116.67 116.32 2bkj s ASP 53 Ca 0.00 1.68 0.05 0.00 -0.52 0.00 0.00 52.55 53.77 2bkj s ASP 53 Cb 0.13 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.72 2bkj s ASP 53 CO 0.79 -1.06 1.91 0.77 0.52 0.00 0.00 175.17 178.09 2bkj h SER 54 N 9.71 0.45 -0.24 -0.34 4.64 -1.99 -1.26 113.55 124.53 2bkj h SER 54 Ca -0.32 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 60.81 2bkj h SER 54 Cb 1.14 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2bkj h SER 54 CO 0.99 0.50 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.85 2bkj h GLU 55 N 0.47 0.73 -0.11 4.77 3.07 -2.00 -2.31 114.58 119.20 2bkj h GLU 55 Ca 0.10 -0.32 -0.17 0.00 -0.50 0.00 0.00 59.36 58.48 2bkj h GLU 55 Cb 0.28 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2bkj h GLU 55 CO 0.01 0.92 -0.65 0.87 -1.40 0.00 0.00 179.01 178.76 2bkj h LYS 56 N 0.63 0.41 -0.50 2.33 1.57 -1.87 -2.85 116.57 116.28 2bkj h LYS 56 Ca 0.08 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2bkj h LYS 56 Cb 0.79 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2bkj h LYS 56 CO 0.06 0.92 0.31 0.00 -0.57 0.00 0.00 179.45 180.17 2bkj h ARG 57 N 0.29 0.67 -0.52 3.15 2.47 -1.05 -0.05 114.38 119.36 2bkj h ARG 57 Ca -0.01 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2bkj h ARG 57 Cb 1.19 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 2bkj h ARG 57 CO 0.11 0.47 0.30 -0.91 0.56 0.00 0.00 179.97 180.51 2bkj h ASN 58 N 0.67 0.63 -0.61 7.04 4.21 -1.38 -0.12 115.58 126.02 2bkj h ASN 58 Ca 0.18 -0.07 -0.09 0.00 1.21 0.00 0.00 56.30 57.53 2bkj h ASN 58 Cb -0.03 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 2bkj h ASN 58 CO -0.04 0.52 0.05 -0.33 -1.29 0.00 0.00 177.43 176.34 2bkj h GLU 59 N 0.69 1.05 -0.45 0.81 5.08 -1.25 -2.38 114.58 118.13 2bkj h GLU 59 Ca 0.18 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2bkj h GLU 59 Cb 0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2bkj h GLU 59 CO -0.03 1.00 0.01 -0.07 -1.00 0.00 0.00 179.01 178.92 2bkj h LEU 60 N 0.95 0.70 -0.76 1.33 3.38 -0.73 0.62 115.31 120.80 2bkj h LEU 60 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2bkj h LEU 60 Cb 0.50 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2bkj h LEU 60 CO 0.02 0.76 0.35 0.00 0.09 0.00 0.00 178.44 179.67 2bkj h ALA 61 N 1.32 0.98 -0.21 1.53 0.00 -0.71 0.80 119.26 122.97 2bkj h ALA 61 Ca 0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2bkj h ALA 61 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bkj h ALA 61 CO 0.02 0.55 -0.45 -0.56 0.00 0.00 0.00 179.25 178.80 2bkj h GLN 62 N 1.07 0.68 0.00 0.00 -0.00 -1.05 -0.25 115.11 115.56 2bkj h GLN 62 Ca 0.26 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.65 58.42 2bkj h GLN 62 Cb 0.13 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.67 2bkj h GLN 62 CO -0.03 1.07 -0.17 0.74 -0.00 0.00 0.00 178.83 180.44 2bkj h PHE 63 N 0.38 0.00 -0.10 0.06 0.04 -0.59 -1.96 116.94 114.76 2bkj h PHE 63 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2bkj h PHE 63 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2bkj h PHE 63 CO 0.09 0.17 0.00 0.00 -0.60 0.00 0.00 178.31 177.97 2bkj n ALA 64 N -2.44 2.53 -0.69 2.45 0.00 0.25 -3.85 120.51 118.76 2bkj n ALA 64 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2bkj n ALA 64 Cb 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2bkj n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bkj n GLY 65 N 0.86 1.29 3.36 0.00 0.00 -0.75 -4.41 105.19 105.55 2bkj n GLY 65 Ca 0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2bkj n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bkj n ASN 66 N 0.56 -5.99 -4.46 1.61 3.02 -0.15 -4.94 115.26 104.91 2bkj n ASN 66 Ca 0.00 -0.47 -0.43 0.00 -0.03 0.00 0.00 54.58 53.65 2bkj n ASN 66 Cb 0.16 -4.63 -0.03 0.00 -0.61 0.00 0.00 39.78 34.67 2bkj n ASN 66 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bkj s GLN 67 N -6.15 3.33 0.38 3.52 -0.21 -0.95 -4.91 119.66 114.67 2bkj s GLN 67 Ca 0.51 -1.21 0.18 0.00 0.02 0.00 0.00 55.36 54.86 2bkj s GLN 67 Cb -0.23 -4.56 1.11 0.00 1.00 0.00 0.00 33.01 30.32 2bkj s GLN 67 CO 0.64 -1.82 1.72 0.00 -2.12 0.00 0.00 175.29 173.70 2bkj h ALA 68 N 9.30 2.16 0.00 6.09 0.00 -1.92 -1.55 119.26 133.34 2bkj h ALA 68 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bkj h ALA 68 Cb 1.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2bkj h ALA 68 CO 1.17 -0.66 0.00 2.48 0.00 0.00 0.00 179.25 182.24 2bkj n TYR 69 N -4.77 0.38 0.07 0.00 4.11 -1.26 -1.35 117.16 114.34 2bkj n TYR 69 Ca 0.29 0.19 -0.04 0.00 -0.00 0.00 0.00 57.90 58.33 2bkj n TYR 69 Cb 0.96 -0.80 0.16 0.00 -0.00 0.00 0.00 39.34 39.66 2bkj n TYR 69 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 2bkj h VAL 70 N 0.00 1.34 0.12 -3.48 2.07 -1.66 -1.88 116.25 112.77 2bkj h VAL 70 Ca 0.00 -1.72 -0.33 0.00 0.82 0.00 0.00 66.70 65.47 2bkj h VAL 70 Cb 0.08 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2bkj h VAL 70 CO 0.00 0.52 -1.75 -0.33 0.02 0.00 0.00 177.57 176.03 2bkj h GLU 71 N 0.24 0.26 0.00 1.57 3.07 -1.41 -3.37 114.58 114.94 2bkj h GLU 71 Ca 0.01 -0.45 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2bkj h GLU 71 Cb 0.96 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2bkj h GLU 71 CO 0.08 1.12 -0.02 -1.13 -1.40 0.00 0.00 179.01 177.66 2bkj n SER 72 N -3.45 0.85 -4.77 1.42 3.41 -1.02 -4.88 113.62 105.19 2bkj n SER 72 Ca -0.23 0.57 -0.39 0.00 -0.26 0.00 0.00 58.87 58.55 2bkj n SER 72 Cb 1.05 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2bkj n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bkj s ALA 73 N -3.11 3.14 0.22 7.33 0.00 -0.71 -4.82 121.76 123.81 2bkj s ALA 73 Ca 0.10 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 2bkj s ALA 73 Cb 0.12 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.92 2bkj s ALA 73 CO 0.60 -0.90 1.81 0.00 0.00 0.00 0.00 175.76 177.28 2bkj h ALA 74 N 2.37 1.05 -3.91 0.00 0.00 -1.53 -3.43 119.26 113.80 2bkj h ALA 74 Ca -0.50 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 53.89 2bkj h ALA 74 Cb 1.26 -0.32 -0.29 0.00 0.00 0.00 0.00 17.79 18.43 2bkj h ALA 74 CO 0.61 0.61 -0.77 -1.21 0.00 0.00 0.00 179.25 178.49 2bkj s GLU 75 N -5.71 0.59 -0.24 0.00 0.41 -0.78 -4.83 118.70 108.13 2bkj s GLU 75 Ca -0.13 -0.23 -0.01 0.00 -0.41 0.00 0.00 54.97 54.19 2bkj s GLU 75 Cb 0.16 -0.58 0.07 0.00 -1.78 0.00 0.00 34.13 32.00 2bkj s GLU 75 CO 0.82 0.13 0.01 0.12 -0.49 0.00 0.00 175.26 175.86 2bkj s PHE 76 N -0.05 1.87 -0.15 1.61 5.36 -1.26 -1.17 117.98 124.19 2bkj s PHE 76 Ca 0.01 -1.52 -0.07 0.00 -0.96 0.00 0.00 56.93 54.38 2bkj s PHE 76 Cb -0.04 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 41.10 2bkj s PHE 76 CO -0.00 -0.75 0.11 -0.51 -1.46 0.00 0.00 175.22 172.61 2bkj s LEU 77 N 1.57 4.16 -0.23 6.12 1.43 -0.52 -1.85 118.68 129.36 2bkj s LEU 77 Ca -0.00 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 2bkj s LEU 77 Cb -0.18 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2bkj s LEU 77 CO -0.11 0.30 -0.03 -0.69 0.23 0.00 0.00 176.35 176.05 2bkj s VAL 78 N -0.35 3.41 -0.14 -1.59 1.01 -0.21 -0.03 120.40 122.49 2bkj s VAL 78 Ca 0.11 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 2bkj s VAL 78 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2bkj s VAL 78 CO 0.01 0.38 0.52 -0.36 0.00 0.00 0.00 175.10 175.65 2bkj s PHE 79 N 1.47 3.47 0.09 5.22 0.40 0.25 -0.64 117.98 128.25 2bkj s PHE 79 Ca 0.05 0.89 0.06 0.00 -0.60 0.00 0.00 56.93 57.33 2bkj s PHE 79 Cb -0.15 -2.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 2bkj s PHE 79 CO -0.03 0.07 -0.15 0.00 0.70 0.00 0.00 175.22 175.81 2bkj s ILE 81 N -1.57 4.59 -0.24 0.00 1.01 0.52 -1.78 121.20 123.72 2bkj s ILE 81 Ca 0.03 1.97 -0.03 0.00 0.00 0.00 0.00 60.65 62.61 2bkj s ILE 81 Cb -0.08 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.19 2bkj s ILE 81 CO 0.03 0.31 0.09 -0.62 0.00 0.00 0.00 174.94 174.75 2bkj s ASP 82 N 0.08 3.19 0.00 3.58 -1.08 0.13 -1.73 116.67 120.83 2bkj s ASP 82 Ca 0.45 -1.07 0.09 0.00 -0.52 0.00 0.00 52.55 51.50 2bkj s ASP 82 Cb -0.22 -0.48 0.17 0.00 -1.46 0.00 0.00 42.92 40.93 2bkj s ASP 82 CO 0.28 -0.38 1.03 -1.22 0.52 0.00 0.00 175.17 175.39 2bkj n TYR 83 N 5.14 0.21 0.12 -5.34 4.01 0.30 -4.53 117.16 117.07 2bkj n TYR 83 Ca -0.06 -0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 57.37 2bkj n TYR 83 Cb 0.45 -0.02 0.12 0.00 -0.31 0.00 0.00 39.34 39.59 2bkj n TYR 83 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2bkj h GLN 84 N 1.72 0.02 -0.61 -0.72 5.75 -1.75 -1.58 115.11 117.93 2bkj h GLN 84 Ca 0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2bkj h GLN 84 Cb 0.55 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2bkj h GLN 84 CO 0.00 0.69 0.28 0.00 -2.65 0.00 0.00 178.83 177.15 2bkj h ARG 85 N 0.01 0.89 -0.45 1.69 3.08 -1.93 -0.34 114.38 117.33 2bkj h ARG 85 Ca -0.01 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 2bkj h ARG 85 Cb 1.19 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2bkj h ARG 85 CO 0.09 0.73 -0.20 0.45 -1.07 0.00 0.00 179.97 179.97 2bkj h HIS 86 N 0.84 1.07 0.00 3.04 3.86 -1.83 -2.65 115.15 119.49 2bkj h HIS 86 Ca 0.21 -0.26 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 2bkj h HIS 86 Cb 0.14 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 2bkj h HIS 86 CO 0.00 1.06 -0.26 0.00 0.86 0.00 0.00 177.93 179.60 2bkj h ALA 87 N 0.85 1.32 -0.05 2.45 0.00 -1.00 0.11 119.26 122.95 2bkj h ALA 87 Ca 0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2bkj h ALA 87 Cb 0.77 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2bkj h ALA 87 CO 0.06 0.33 -0.89 1.15 0.00 0.00 0.00 179.25 179.90 2bkj h THR 88 N 0.00 1.34 -0.14 0.00 2.02 -0.88 -3.05 112.91 112.21 2bkj h THR 88 Ca -0.00 -2.24 -0.15 0.00 0.77 0.00 0.00 66.41 64.78 2bkj h THR 88 Cb 0.55 2.26 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2bkj h THR 88 CO 0.03 0.68 -0.51 0.40 0.37 0.00 0.00 175.52 176.49 2bkj h ILE 89 N 0.34 1.34 -2.87 3.11 2.04 -1.12 -3.43 117.51 116.92 2bkj h ILE 89 Ca -0.08 -1.79 -0.42 0.00 1.00 0.00 0.00 64.86 63.58 2bkj h ILE 89 Cb 1.52 2.07 -0.39 0.00 -0.74 0.00 0.00 36.82 39.27 2bkj h ILE 89 CO 0.16 0.55 -0.71 0.21 0.00 0.00 0.00 178.15 178.36 2bkj s ASN 90 N -6.73 2.07 0.38 1.72 3.84 -0.00 -5.02 114.94 111.19 2bkj s ASN 90 Ca -0.12 -0.51 0.26 0.00 0.21 0.00 0.00 52.86 52.70 2bkj s ASN 90 Cb 0.07 -0.04 1.34 0.00 -0.55 0.00 0.00 41.25 42.06 2bkj s ASN 90 CO 0.84 -0.35 1.80 -0.65 -2.79 0.00 0.00 177.10 175.96 2bkj h PRO 91 N 8.38 0.00 -0.00 0.43 0.11 -1.78 -2.77 132.00 136.37 2bkj h PRO 91 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2bkj h PRO 91 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2bkj h PRO 91 CO 0.29 0.00 -0.01 -0.25 -0.21 0.00 0.00 178.00 177.82 2bkj n ASP 92 N -2.43 0.08 -4.72 -2.05 8.00 -1.26 -4.88 116.55 109.29 2bkj n ASP 92 Ca -0.01 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.59 2bkj n ASP 92 Cb 0.10 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2bkj n ASP 92 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bkj s VAL 93 N -2.38 2.31 -0.42 2.53 1.01 -1.05 -4.97 120.40 117.44 2bkj s VAL 93 Ca 0.35 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 2bkj s VAL 93 Cb 0.21 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.50 2bkj s VAL 93 CO 0.43 0.02 0.28 -1.10 0.00 0.00 0.00 175.10 174.73 2bkj s GLN 94 N 1.12 2.77 0.00 2.72 -0.21 -1.26 -4.95 119.66 119.85 2bkj s GLN 94 Ca 0.72 -1.30 0.15 0.00 0.02 0.00 0.00 55.36 54.95 2bkj s GLN 94 Cb -0.47 -3.86 0.40 0.00 1.00 0.00 0.00 33.01 30.08 2bkj s GLN 94 CO 0.32 -0.89 1.32 0.00 -2.12 0.00 0.00 175.29 173.92 2bkj n ALA 95 N 5.02 2.27 1.39 6.09 0.00 -1.26 -4.61 120.51 129.42 2bkj n ALA 95 Ca -0.11 -1.14 0.14 0.00 0.00 0.00 0.00 53.44 52.33 2bkj n ALA 95 Cb 0.44 -0.60 0.54 0.00 0.00 0.00 0.00 19.45 19.83 2bkj n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bkj n ASP 96 N 0.92 0.78 -4.73 0.00 5.75 -1.24 -4.54 116.55 113.50 2bkj n ASP 96 Ca 0.15 -0.83 -0.42 0.00 -0.01 0.00 0.00 54.79 53.68 2bkj n ASP 96 Cb 0.49 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 2bkj n ASP 96 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2bkj s PHE 97 N -2.39 3.36 0.46 2.11 0.08 -1.26 -0.86 117.98 119.48 2bkj s PHE 97 Ca 0.30 1.28 0.20 0.00 0.12 0.00 0.00 56.93 58.82 2bkj s PHE 97 Cb 0.20 -3.50 1.18 0.00 -0.57 0.00 0.00 43.02 40.33 2bkj s PHE 97 CO 0.46 -1.55 1.91 1.15 -0.10 0.00 0.00 175.22 177.09 2bkj h THR 98 N 4.00 0.72 -0.97 0.64 2.02 -1.13 0.06 112.91 118.25 2bkj h THR 98 Ca -0.43 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 66.76 2bkj h THR 98 Cb 1.21 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 2bkj h THR 98 CO 0.78 0.05 0.62 -0.08 0.37 0.00 0.00 175.52 177.27 2bkj h GLU 99 N 0.28 0.94 0.00 6.66 4.57 -1.91 -0.44 114.58 124.68 2bkj h GLU 99 Ca 0.39 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.41 2bkj h GLU 99 Cb 1.09 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2bkj h GLU 99 CO -0.10 0.62 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.82 2bkj h LEU 100 N 0.96 0.00 -0.32 1.64 3.38 -1.32 -1.71 115.31 117.94 2bkj h LEU 100 Ca 0.47 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.24 2bkj h LEU 100 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2bkj h LEU 100 CO -0.23 0.46 -0.83 0.74 0.09 0.00 0.00 178.44 178.67 2bkj h THR 101 N 0.00 1.43 -0.47 0.22 2.02 -1.12 -1.90 112.91 113.08 2bkj h THR 101 Ca -0.00 -2.37 -0.10 0.00 0.77 0.00 0.00 66.41 64.71 2bkj h THR 101 Cb 0.82 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 2bkj h THR 101 CO 0.06 0.70 -0.08 -0.07 0.37 0.00 0.00 175.52 176.51 2bkj h LEU 102 N 0.20 0.89 -0.65 2.58 3.38 -0.97 -1.19 115.31 119.54 2bkj h LEU 102 Ca -0.05 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2bkj h LEU 102 Cb 1.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2bkj h LEU 102 CO 0.14 1.02 0.30 0.40 0.09 0.00 0.00 178.44 180.39 2bkj h ILE 103 N 0.73 1.23 -0.47 1.22 2.04 -1.27 -0.88 117.51 120.11 2bkj h ILE 103 Ca 0.12 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2bkj h ILE 103 Cb 0.62 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2bkj h ILE 103 CO 0.04 0.27 0.16 1.23 0.00 0.00 0.00 178.15 179.85 2bkj h GLY 104 N 0.90 0.78 0.77 5.37 0.00 -1.12 -0.69 103.07 109.09 2bkj h GLY 104 Ca 0.22 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2bkj h GLY 104 CO -0.03 0.42 0.01 0.00 0.00 0.00 0.00 176.54 176.95 2bkj h ALA 105 N 1.01 0.15 0.20 3.60 0.00 -1.04 -1.60 119.26 121.58 2bkj h ALA 105 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2bkj h ALA 105 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bkj h ALA 105 CO -0.01 -0.18 -0.10 0.28 0.00 0.00 0.00 179.25 179.25 2bkj h VAL 106 N -0.06 0.84 -0.24 0.00 2.07 -1.13 -2.32 116.25 115.40 2bkj h VAL 106 Ca 0.03 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2bkj h VAL 106 Cb 0.33 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2bkj h VAL 106 CO 0.00 0.05 0.11 0.44 0.02 0.00 0.00 177.57 178.19 2bkj h ASP 107 N -0.37 0.29 -0.30 0.57 5.19 -1.16 -2.08 116.42 118.56 2bkj h ASP 107 Ca -0.03 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2bkj h ASP 107 Cb 0.29 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2bkj h ASP 107 CO 0.05 0.26 -0.01 0.28 -3.12 0.00 0.00 179.24 176.70 2bkj h SER 108 N 0.34 0.53 -0.82 6.45 0.02 -1.12 -1.81 113.55 117.13 2bkj h SER 108 Ca 0.09 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2bkj h SER 108 Cb 0.05 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 2bkj h SER 108 CO -0.01 0.71 0.48 1.23 -1.14 0.00 0.00 176.83 178.10 2bkj h GLY 109 N 0.33 1.20 0.89 -3.77 0.00 -0.86 0.33 103.07 101.18 2bkj h GLY 109 Ca 0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2bkj h GLY 109 CO 0.02 0.49 0.05 -2.22 0.00 0.00 0.00 176.54 174.88 2bkj h ILE 110 N 1.12 1.13 0.04 2.60 2.04 -1.28 -1.77 117.51 121.40 2bkj h ILE 110 Ca 0.29 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2bkj h ILE 110 Cb -0.02 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2bkj h ILE 110 CO -0.05 0.11 -0.02 -0.03 0.00 0.00 0.00 178.15 178.16 2bkj h MET 111 N 0.05 -0.06 -0.95 2.37 4.05 -1.13 -2.89 114.93 116.37 2bkj h MET 111 Ca 0.04 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.56 2bkj h MET 111 Cb 0.13 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.88 2bkj h MET 111 CO -0.00 0.13 0.61 0.00 0.23 0.00 0.00 176.91 177.88 2bkj h ALA 112 N 0.72 1.54 -0.30 0.39 0.00 -0.91 -1.49 119.26 119.20 2bkj h ALA 112 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2bkj h ALA 112 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2bkj h ALA 112 CO 0.01 0.28 -0.21 0.37 0.00 0.00 0.00 179.25 179.70 2bkj h GLN 113 N 1.00 0.56 -0.50 0.00 5.75 -1.25 -0.93 115.11 119.74 2bkj h GLN 113 Ca 0.44 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.66 2bkj h GLN 113 Cb 0.35 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 2bkj h GLN 113 CO -0.20 0.74 -0.01 -0.91 -2.65 0.00 0.00 178.83 175.80 2bkj h ASN 114 N 0.50 0.83 -0.16 -0.69 4.21 -1.08 -0.68 115.58 118.50 2bkj h ASN 114 Ca 0.08 -0.22 -0.02 0.00 1.21 0.00 0.00 56.30 57.36 2bkj h ASN 114 Cb 0.64 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2bkj h ASN 114 CO 0.05 0.90 0.04 0.00 -1.29 0.00 0.00 177.43 177.13 2bkj h LEU 116 N 0.07 0.29 -0.98 0.00 5.85 -1.00 -1.93 115.31 117.61 2bkj h LEU 116 Ca 0.05 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2bkj h LEU 116 Cb 0.26 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2bkj h LEU 116 CO 0.00 0.39 0.39 -0.07 -0.34 0.00 0.00 178.44 178.81 2bkj h LEU 117 N 0.18 1.01 -0.41 2.25 3.38 -1.14 0.15 115.31 120.72 2bkj h LEU 117 Ca 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bkj h LEU 117 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2bkj h LEU 117 CO -0.00 0.84 0.25 0.00 0.09 0.00 0.00 178.44 179.62 2bkj h ALA 118 N 1.32 0.52 -0.23 1.53 0.00 -1.19 -0.52 119.26 120.69 2bkj h ALA 118 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2bkj h ALA 118 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bkj h ALA 118 CO -0.04 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.27 2bkj h ALA 119 N 1.12 0.31 -0.11 0.00 0.00 -0.80 -2.92 119.26 116.85 2bkj h ALA 119 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2bkj h ALA 119 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2bkj h ALA 119 CO -0.03 -0.03 -0.00 0.93 0.00 0.00 0.00 179.25 180.12 2bkj h GLU 120 N 0.19 0.16 0.00 0.00 5.08 -0.51 -0.99 114.58 118.51 2bkj h GLU 120 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2bkj h GLU 120 Cb 0.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2bkj h GLU 120 CO 0.00 0.18 0.00 0.66 -1.00 0.00 0.00 179.01 178.86 2bkj h SER 121 N 0.16 0.00 -0.10 1.42 4.64 -0.91 -2.67 113.55 116.10 2bkj h SER 121 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2bkj h SER 121 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2bkj h SER 121 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 2bkj n MET 122 N -2.69 1.90 -0.37 4.77 2.81 -0.44 -4.91 117.12 118.19 2bkj n MET 122 Ca 0.02 -1.32 0.00 0.00 -1.81 0.00 0.00 57.70 54.59 2bkj n MET 122 Cb 0.34 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 2bkj n MET 122 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bkj n GLY 123 N 1.23 0.75 3.95 3.03 0.00 -1.00 -5.07 105.19 108.09 2bkj n GLY 123 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2bkj n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bkj s LEU 124 N 0.00 3.03 0.19 0.99 1.43 -0.81 -4.65 118.68 118.85 2bkj s LEU 124 Ca 0.00 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2bkj s LEU 124 Cb 0.00 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2bkj s LEU 124 CO 0.00 -1.45 -0.04 -0.83 0.23 0.00 0.00 176.35 174.27 2bkj s GLY 125 N -4.51 1.32 0.23 -3.19 0.00 0.53 -3.93 107.32 97.78 2bkj s GLY 125 Ca 0.60 -1.64 -0.21 0.00 0.00 0.00 0.00 44.72 43.47 2bkj s GLY 125 CO 0.42 -1.62 0.92 -0.32 0.00 0.00 0.00 173.10 172.50 2bkj s GLY 126 N -3.23 0.04 -0.24 0.20 0.00 -1.26 -1.73 107.32 101.09 2bkj s GLY 126 Ca 0.23 -0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 2bkj s GLY 126 CO 0.05 0.71 0.63 0.54 0.00 0.00 0.00 173.10 175.03 2bkj s VAL 127 N -2.77 -0.00 0.46 1.40 0.11 -0.81 -1.67 120.40 117.11 2bkj s VAL 127 Ca 0.16 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 59.00 2bkj s VAL 127 Cb -0.03 -0.89 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 2bkj s VAL 127 CO 0.06 0.00 1.09 -0.31 -3.33 0.00 0.00 175.10 172.61 2bkj s TYR 128 N 0.79 3.01 -0.49 1.54 1.51 -1.26 -1.26 117.35 121.19 2bkj s TYR 128 Ca -0.04 1.58 0.03 0.00 -1.01 0.00 0.00 57.07 57.64 2bkj s TYR 128 Cb -0.05 -3.19 0.13 0.00 -0.11 0.00 0.00 41.96 38.74 2bkj s TYR 128 CO -0.06 -1.03 0.26 0.42 -1.11 0.00 0.00 175.55 174.03 2bkj s ILE 129 N -1.74 2.03 -0.80 2.71 -1.09 0.45 -4.90 121.20 117.87 2bkj s ILE 129 Ca 0.64 -2.99 0.27 0.00 -2.23 0.00 0.00 60.65 56.33 2bkj s ILE 129 Cb -0.22 -2.41 0.23 0.00 -1.58 0.00 0.00 42.46 38.48 2bkj s ILE 129 CO 0.27 -0.85 1.74 0.61 -1.23 0.00 0.00 174.94 175.48 2bkj n GLY 130 N 3.27 -1.60 0.27 6.18 0.00 -1.26 -0.57 105.19 111.48 2bkj n GLY 130 Ca 0.07 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.17 2bkj n GLY 130 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bkj h GLY 131 N 4.66 0.00 1.96 -0.02 0.00 -1.91 -1.67 103.07 106.10 2bkj h GLY 131 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2bkj h GLY 131 CO 0.00 0.00 0.01 1.41 0.00 0.00 0.00 176.54 177.96 2bkj h LEU 132 N 0.00 0.00 -0.31 3.11 3.38 -1.81 -1.54 115.31 118.14 2bkj h LEU 132 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bkj h LEU 132 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bkj h LEU 132 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 2bkj n ARG 133 N -4.50 0.06 -0.36 1.13 1.74 -0.63 -2.47 116.66 111.64 2bkj n ARG 133 Ca -0.03 0.37 -0.02 0.00 -0.77 0.00 0.00 57.85 57.41 2bkj n ARG 133 Cb 0.11 -1.64 0.12 0.00 -1.02 0.00 0.00 32.46 30.03 2bkj n ARG 133 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2bkj h ASN 134 N 0.00 1.13 -1.39 0.55 2.35 -1.49 -3.06 115.58 113.66 2bkj h ASN 134 Ca 0.00 -0.04 -0.51 0.00 -0.55 0.00 0.00 56.30 55.20 2bkj h ASN 134 Cb 0.21 -0.28 -0.41 0.00 0.05 0.00 0.00 38.32 37.89 2bkj h ASN 134 CO 0.00 0.83 -0.89 -1.20 -1.65 0.00 0.00 177.43 174.52 2bkj n SER 135 N -4.38 3.56 -0.21 5.81 7.64 -1.03 -4.95 113.62 120.07 2bkj n SER 135 Ca 0.11 -3.38 -0.02 0.00 1.01 0.00 0.00 58.87 56.60 2bkj n SER 135 Cb 0.03 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 62.78 2bkj n SER 135 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bkj h ALA 136 N 2.74 0.26 -0.93 -0.43 0.00 -1.42 -0.60 119.26 118.87 2bkj h ALA 136 Ca 0.16 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.31 2bkj h ALA 136 Cb 0.99 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 2bkj h ALA 136 CO 0.73 -0.51 0.61 0.00 0.00 0.00 0.00 179.25 180.08 2bkj h ALA 137 N 1.41 1.20 -0.08 0.00 0.00 -1.90 -0.09 119.26 119.80 2bkj h ALA 137 Ca 0.28 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 2bkj h ALA 137 Cb 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bkj h ALA 137 CO -0.66 0.53 -0.74 1.96 0.00 0.00 0.00 179.25 180.34 2bkj h GLN 138 N 1.22 0.43 -0.38 0.00 7.50 -1.73 -2.48 115.11 119.68 2bkj h GLN 138 Ca 0.36 -0.35 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 2bkj h GLN 138 Cb -0.08 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2bkj h GLN 138 CO -0.10 0.99 -0.25 0.28 -1.50 0.00 0.00 178.83 178.26 2bkj h VAL 139 N 0.29 1.27 0.04 -0.54 2.07 -0.83 -1.94 116.25 116.63 2bkj h VAL 139 Ca -0.03 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 2bkj h VAL 139 Cb 1.32 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2bkj h VAL 139 CO 0.13 0.46 -0.02 -0.78 0.02 0.00 0.00 177.57 177.38 2bkj h ASP 140 N 0.67 -0.05 -0.66 0.57 1.82 -0.94 -2.04 116.42 115.80 2bkj h ASP 140 Ca 0.09 -0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.62 2bkj h ASP 140 Cb 0.77 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2bkj h ASP 140 CO 0.06 0.03 0.23 -0.33 -1.61 0.00 0.00 179.24 177.62 2bkj h GLU 141 N -0.12 1.03 -0.84 0.28 4.39 -1.39 -1.27 114.58 116.67 2bkj h GLU 141 Ca -0.01 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2bkj h GLU 141 Cb 0.10 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2bkj h GLU 141 CO 0.01 0.87 0.43 1.25 -1.16 0.00 0.00 179.01 180.40 2bkj h LEU 142 N 1.00 1.07 -0.32 1.33 5.85 -1.16 -2.17 115.31 120.91 2bkj h LEU 142 Ca 0.23 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2bkj h LEU 142 Cb 0.25 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2bkj h LEU 142 CO -0.01 0.88 -0.21 0.18 -0.34 0.00 0.00 178.44 178.94 2bkj n LEU 143 N -4.32 0.70 -2.97 2.25 4.77 -0.78 -4.96 117.00 111.68 2bkj n LEU 143 Ca 0.09 -0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2bkj n LEU 143 Cb 0.12 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2bkj n LEU 143 CO 0.39 0.13 0.17 0.61 -1.33 0.00 0.00 177.39 177.36 2bkj n GLY 144 N 1.34 -0.29 3.72 -0.72 0.00 -0.52 -4.97 105.19 103.74 2bkj n GLY 144 Ca 0.12 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2bkj n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bkj s LEU 145 N -6.11 4.39 0.00 0.99 1.43 -0.93 -5.04 118.68 113.41 2bkj s LEU 145 Ca 0.45 2.15 -0.04 0.00 -1.03 0.00 0.00 54.13 55.66 2bkj s LEU 145 Cb -0.20 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.50 2bkj s LEU 145 CO 0.55 -0.50 0.34 -0.81 0.23 0.00 0.00 176.35 176.16 2bkj n PRO 146 N 3.57 -0.44 -1.82 1.29 -0.04 -1.26 -4.89 135.00 131.41 2bkj n PRO 146 Ca 0.08 -0.52 -0.34 0.00 -0.04 0.00 0.00 63.50 62.68 2bkj n PRO 146 Cb 0.45 -0.36 0.05 0.00 -0.04 0.00 0.00 33.50 33.59 2bkj n PRO 146 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2bkj s GLU 147 N -3.74 2.81 -1.30 0.54 1.03 -1.26 -3.06 118.70 113.72 2bkj s GLU 147 Ca 0.19 1.53 0.00 0.00 0.03 0.00 0.00 54.97 56.72 2bkj s GLU 147 Cb -0.01 -1.94 0.00 0.00 -0.80 0.00 0.00 34.13 31.38 2bkj s GLU 147 CO 0.14 -1.27 0.00 0.09 -1.33 0.00 0.00 175.26 172.89 2bkj n ASN 148 N -2.19 -4.54 -3.97 0.83 3.02 0.54 -4.35 115.26 104.60 2bkj n ASN 148 Ca 0.11 0.30 -0.14 0.00 -0.03 0.00 0.00 54.58 54.83 2bkj n ASN 148 Cb 0.51 -3.12 -0.13 0.00 -0.61 0.00 0.00 39.78 36.43 2bkj n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2bkj s SER 149 N -2.83 0.53 -0.02 6.41 0.15 -1.17 -0.54 113.70 116.24 2bkj s SER 149 Ca 0.00 -0.22 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 2bkj s SER 149 Cb 0.00 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 2bkj s SER 149 CO 0.00 -0.04 0.46 0.00 1.20 0.00 0.00 173.24 174.86 2bkj s ALA 150 N -0.50 -1.17 0.14 5.45 0.00 -0.71 -4.78 121.76 120.19 2bkj s ALA 150 Ca -0.03 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 2bkj s ALA 150 Cb -0.04 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 2bkj s ALA 150 CO -0.00 -0.33 0.77 0.54 0.00 0.00 0.00 175.76 176.74 2bkj s VAL 151 N -1.46 4.46 -0.07 0.00 0.11 -1.26 -0.35 120.40 121.81 2bkj s VAL 151 Ca -0.11 1.68 -0.05 0.00 -2.93 0.00 0.00 61.98 60.56 2bkj s VAL 151 Cb -0.03 -4.13 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 2bkj s VAL 151 CO 0.05 0.49 -0.13 0.18 -3.33 0.00 0.00 175.10 172.36 2bkj n LEU 152 N 1.87 0.88 -3.63 2.54 4.77 -0.72 -4.92 117.00 117.79 2bkj n LEU 152 Ca -0.05 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2bkj n LEU 152 Cb 0.49 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2bkj n LEU 152 CO 0.46 0.01 0.71 0.72 -1.33 0.00 0.00 177.39 177.96 2bkj s PHE 153 N -2.22 -0.23 0.44 -1.77 -0.12 -1.20 -4.69 117.98 108.20 2bkj s PHE 153 Ca -0.13 0.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.79 2bkj s PHE 153 Cb 0.04 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 43.05 2bkj s PHE 153 CO 0.17 -0.69 0.23 0.41 -0.05 0.00 0.00 175.22 175.29 2bkj n GLY 154 N -0.37 3.08 3.40 1.99 0.00 0.27 -0.59 105.19 112.98 2bkj n GLY 154 Ca -0.07 -2.30 -0.07 0.00 0.00 0.00 0.00 46.02 43.58 2bkj n GLY 154 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bkj s MET 155 N -3.75 0.43 -0.02 1.61 1.75 0.95 -0.41 119.30 119.86 2bkj s MET 155 Ca 0.17 1.14 -0.17 0.00 -1.25 0.00 0.00 55.69 55.58 2bkj s MET 155 Cb -0.01 0.42 -0.05 0.00 2.84 0.00 0.00 34.83 38.03 2bkj s MET 155 CO 0.11 -0.22 0.49 0.00 -0.65 0.00 0.00 175.02 174.75 2bkj s LEU 157 N -0.48 2.23 0.00 0.00 1.43 -0.31 -1.93 118.68 119.62 2bkj s LEU 157 Ca 0.26 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2bkj s LEU 157 Cb -0.17 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.93 2bkj s LEU 157 CO 0.14 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.13 2bkj n GLY 158 N 1.61 -2.01 3.69 -3.19 0.00 -0.71 -1.38 105.19 103.20 2bkj n GLY 158 Ca -0.22 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2bkj n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkj s HIS 159 N -2.54 3.50 0.40 1.61 3.76 -1.26 -0.35 115.29 120.41 2bkj s HIS 159 Ca 0.00 1.40 -0.27 0.00 -0.15 0.00 0.00 55.06 56.03 2bkj s HIS 159 Cb 0.00 -3.04 -0.10 0.00 1.11 0.00 0.00 32.58 30.55 2bkj s HIS 159 CO 0.00 -0.16 1.47 -2.14 -0.85 0.00 0.00 174.74 173.06 2bkj s PRO 160 N 1.77 3.99 -0.17 8.40 0.02 -1.26 -1.19 135.00 146.55 2bkj s PRO 160 Ca 0.42 2.52 0.18 0.00 0.02 0.00 0.00 61.00 64.15 2bkj s PRO 160 Cb -0.18 -2.88 0.45 0.00 0.02 0.00 0.00 34.50 31.92 2bkj s PRO 160 CO 0.17 -0.61 1.17 -3.47 -0.33 0.00 0.00 177.00 173.93 2bkj n ASP 161 N 0.28 2.11 -3.53 2.53 2.03 0.15 -4.60 116.55 115.52 2bkj n ASP 161 Ca 0.02 -2.84 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 2bkj n ASP 161 Cb 0.40 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 2bkj n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bkj s GLN 162 N -2.47 0.74 -0.50 -0.67 -2.07 -1.26 -4.84 119.66 108.60 2bkj s GLN 162 Ca 0.37 -0.15 0.05 0.00 -1.82 0.00 0.00 55.36 53.81 2bkj s GLN 162 Cb 0.37 0.35 0.19 0.00 -1.09 0.00 0.00 33.01 32.83 2bkj s GLN 162 CO -0.07 -0.30 0.45 -1.71 -1.32 0.00 0.00 175.29 172.34 2bkj n ASN 163 N 0.07 0.84 -4.78 12.60 5.15 -1.26 -5.04 115.26 122.84 2bkj n ASN 163 Ca -0.09 -2.73 -0.33 0.00 -0.60 0.00 0.00 54.58 50.83 2bkj n ASN 163 Cb 0.60 -0.63 0.03 0.00 -0.53 0.00 0.00 39.78 39.26 2bkj n ASN 163 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2bkj s PRO 164 N -0.78 3.01 0.41 1.20 0.02 -1.26 -5.03 135.00 132.57 2bkj s PRO 164 Ca 0.32 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.56 2bkj s PRO 164 Cb 0.06 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 2bkj s PRO 164 CO -0.16 -1.09 0.88 -1.83 -0.33 0.00 0.00 177.00 174.48 2bkj s GLU 165 N -3.93 4.10 0.17 5.54 1.03 -1.26 -4.98 118.70 119.38 2bkj s GLU 165 Ca 0.67 0.93 -0.31 0.00 0.03 0.00 0.00 54.97 56.29 2bkj s GLU 165 Cb -0.20 -2.26 -0.09 0.00 -0.80 0.00 0.00 34.13 30.77 2bkj s GLU 165 CO 0.38 -0.01 1.48 0.08 -1.33 0.00 0.00 175.26 175.87 2bkj s VAL 166 N -2.19 2.82 -0.01 1.83 1.01 -1.26 -4.98 120.40 117.62 2bkj s VAL 166 Ca 0.59 0.62 -0.26 0.00 0.00 0.00 0.00 61.98 62.92 2bkj s VAL 166 Cb -0.10 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2bkj s VAL 166 CO 0.18 0.06 0.83 -0.54 0.00 0.00 0.00 175.10 175.62 2bkj s LYS 167 N 0.74 4.51 0.37 2.72 1.02 -1.26 -5.05 119.74 122.78 2bkj s LYS 167 Ca 0.66 1.14 -0.25 0.00 0.02 0.00 0.00 55.97 57.54 2bkj s LYS 167 Cb -0.41 -3.43 -0.09 0.00 -0.52 0.00 0.00 37.83 33.37 2bkj s LYS 167 CO 0.34 0.08 1.01 -1.25 -0.92 0.00 0.00 175.35 174.61 2bkj s PRO 168 N 0.64 4.34 0.45 -1.68 0.04 -1.26 -5.06 135.00 132.47 2bkj s PRO 168 Ca 0.43 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2bkj s PRO 168 Cb -0.20 -2.66 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 2bkj s PRO 168 CO 0.23 0.03 0.39 1.03 0.04 0.00 0.00 177.00 178.72 2bkj s ARG 169 N -2.31 2.43 0.47 4.56 3.00 -1.26 -5.02 118.95 120.82 2bkj s ARG 169 Ca 0.54 -1.67 -0.25 0.00 0.00 0.00 0.00 55.73 54.35 2bkj s ARG 169 Cb -0.21 -2.30 -0.08 0.00 0.00 0.00 0.00 34.95 32.36 2bkj s ARG 169 CO 0.26 -0.32 1.41 1.28 0.00 0.00 0.00 175.30 177.94 2bkj n LEU 170 N -1.61 5.13 -4.67 2.53 4.77 -1.26 -4.92 117.00 116.97 2bkj n LEU 170 Ca 0.03 1.10 -0.36 0.00 -0.03 0.00 0.00 56.01 56.74 2bkj n LEU 170 Cb 0.63 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 2bkj n LEU 170 CO 0.42 -0.25 0.72 -0.81 -1.33 0.00 0.00 177.39 176.14 2bkj n PRO 171 N -0.31 0.75 -0.17 3.23 -0.04 -1.26 -4.81 135.00 132.38 2bkj n PRO 171 Ca 0.06 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 2bkj n PRO 171 Cb 0.42 -2.37 0.43 0.00 -0.04 0.00 0.00 33.50 31.93 2bkj n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkj h ALA 172 N 0.05 1.90 0.00 0.55 0.00 -1.98 -1.67 119.26 118.11 2bkj h ALA 172 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bkj h ALA 172 Cb 1.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2bkj h ALA 172 CO 0.50 -0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.29 2bkj n HIS 173 N -4.49 0.75 -0.03 0.00 1.44 -1.26 -0.17 115.22 111.44 2bkj n HIS 173 Ca 0.13 0.30 -0.21 0.00 -2.01 0.00 0.00 57.72 55.93 2bkj n HIS 173 Cb 0.38 -0.99 -0.13 0.00 0.12 0.00 0.00 29.99 29.37 2bkj n HIS 173 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2bkj n VAL 174 N -2.19 1.70 0.10 0.61 0.31 -0.65 -4.44 118.33 113.77 2bkj n VAL 174 Ca 0.02 -0.59 -0.15 0.00 -0.01 0.00 0.00 64.34 63.61 2bkj n VAL 174 Cb 0.20 -1.70 -0.13 0.00 -0.91 0.00 0.00 33.84 31.30 2bkj n VAL 174 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2bkj h VAL 175 N -0.05 1.51 -3.39 2.52 2.07 -1.28 -3.45 116.25 114.19 2bkj h VAL 175 Ca -0.46 -3.05 -0.60 0.00 0.82 0.00 0.00 66.70 63.41 2bkj h VAL 175 Cb 1.94 2.90 -0.12 0.00 -1.52 0.00 0.00 31.29 34.49 2bkj h VAL 175 CO 0.02 0.89 -0.39 -0.69 0.02 0.00 0.00 177.57 177.42 2bkj s VAL 176 N -2.71 5.33 -0.07 2.57 1.01 0.76 -5.08 120.40 122.21 2bkj s VAL 176 Ca -0.04 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2bkj s VAL 176 Cb 0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2bkj s VAL 176 CO 0.88 0.37 -0.09 -1.00 0.00 0.00 0.00 175.10 175.25 2bkj s HIS 177 N 0.73 2.87 -0.42 5.22 3.76 -1.26 -4.68 115.29 121.50 2bkj s HIS 177 Ca 0.12 -0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.81 2bkj s HIS 177 Cb -0.13 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.89 2bkj s HIS 177 CO 0.03 0.27 0.46 -1.83 -0.85 0.00 0.00 174.74 172.82 2bkj s GLU 178 N -0.74 3.13 0.00 1.40 -1.05 -1.26 -4.66 118.70 115.51 2bkj s GLU 178 Ca 0.11 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 2bkj s GLU 178 Cb -0.11 -3.96 0.00 0.00 -0.44 0.00 0.00 34.13 29.62 2bkj s GLU 178 CO 0.01 -0.87 0.00 0.09 0.95 0.00 0.00 175.26 175.45 2bkj n ASN 179 N 5.68 0.00 -3.84 0.83 3.02 -1.26 -4.79 115.26 114.90 2bkj n ASN 179 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 2bkj n ASN 179 Cb 0.47 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.56 2bkj n ASN 179 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bkj s GLN 180 N 0.00 0.73 0.10 3.52 -1.52 -1.26 -5.13 119.66 116.10 2bkj s GLN 180 Ca 0.00 -0.68 -0.31 0.00 -1.95 0.00 0.00 55.36 52.42 2bkj s GLN 180 Cb 0.00 0.30 -0.09 0.00 -0.22 0.00 0.00 33.01 33.01 2bkj s GLN 180 CO 0.00 -0.22 1.56 -0.47 -0.25 0.00 0.00 175.29 175.91 2bkj s TYR 181 N -2.82 2.80 0.00 0.91 6.14 -1.26 -4.83 117.35 118.30 2bkj s TYR 181 Ca -0.03 0.57 -0.02 0.00 0.64 0.00 0.00 57.07 58.23 2bkj s TYR 181 Cb 0.00 -3.88 -0.04 0.00 0.42 0.00 0.00 41.96 38.46 2bkj s TYR 181 CO -0.05 -3.35 0.17 1.14 0.64 0.00 0.00 175.55 174.10 2bkj s GLN 182 N 1.89 3.36 0.41 4.97 1.03 -1.26 -5.08 119.66 124.98 2bkj s GLN 182 Ca 0.70 -0.38 -0.25 0.00 0.04 0.00 0.00 55.36 55.48 2bkj s GLN 182 Cb -0.40 -3.04 -0.08 0.00 0.03 0.00 0.00 33.01 29.52 2bkj s GLN 182 CO 0.31 0.66 1.21 -1.21 -2.54 0.00 0.00 175.29 173.71 2bkj s GLU 183 N -2.00 3.96 0.12 9.60 0.41 -1.26 -4.98 118.70 124.55 2bkj s GLU 183 Ca 0.28 1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 56.45 2bkj s GLU 183 Cb -0.13 -2.65 -0.07 0.00 -1.78 0.00 0.00 34.13 29.51 2bkj s GLU 183 CO 0.19 -0.42 1.14 -1.17 -0.49 0.00 0.00 175.26 174.52 2bkj s LEU 184 N -2.58 4.43 -0.44 1.80 2.96 -1.26 -5.01 118.68 118.57 2bkj s LEU 184 Ca 0.58 2.05 -0.17 0.00 -0.22 0.00 0.00 54.13 56.37 2bkj s LEU 184 Cb -0.32 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.81 2bkj s LEU 184 CO 0.41 -0.34 0.43 0.21 -1.32 0.00 0.00 176.35 175.73 2bkj s ASN 185 N 0.46 6.17 0.50 3.68 3.84 -1.26 -4.94 114.94 123.39 2bkj s ASN 185 Ca 0.54 -0.88 0.29 0.00 0.21 0.00 0.00 52.86 53.03 2bkj s ASN 185 Cb -0.29 -2.21 1.60 0.00 -0.55 0.00 0.00 41.25 39.80 2bkj s ASN 185 CO 0.32 -0.61 1.89 -0.07 -2.79 0.00 0.00 177.10 175.84 2bkj h LEU 186 N 9.00 0.00 -0.80 3.21 3.38 -2.01 -0.95 115.31 127.14 2bkj h LEU 186 Ca -0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 2bkj h LEU 186 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2bkj h LEU 186 CO 0.82 0.00 -0.28 0.44 0.09 0.00 0.00 178.44 179.51 2bkj h ASP 187 N 0.00 0.59 0.09 -0.43 3.32 -2.00 -2.28 116.42 115.72 2bkj h ASP 187 Ca 0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 2bkj h ASP 187 Cb 0.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2bkj h ASP 187 CO 0.00 0.85 -0.29 0.44 -1.72 0.00 0.00 179.24 178.53 2bkj h ASP 188 N 0.50 0.31 0.01 6.45 3.32 -1.59 -1.14 116.42 124.28 2bkj h ASP 188 Ca 0.07 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 2bkj h ASP 188 Cb 0.74 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 2bkj h ASP 188 CO 0.06 0.59 -0.61 0.40 -1.72 0.00 0.00 179.24 177.95 2bkj h ILE 189 N 0.27 1.32 -0.47 0.35 1.08 -1.55 -1.60 117.51 116.92 2bkj h ILE 189 Ca 0.04 -1.88 -0.14 0.00 -0.39 0.00 0.00 64.86 62.49 2bkj h ILE 189 Cb 0.65 1.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 2bkj h ILE 189 CO 0.05 0.59 -0.24 -0.61 -0.69 0.00 0.00 178.15 177.24 2bkj h GLN 190 N 0.44 0.99 -0.61 2.37 4.15 -1.14 -0.69 115.11 120.63 2bkj h GLN 190 Ca -0.01 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 58.95 2bkj h GLN 190 Cb 1.18 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 2bkj h GLN 190 CO 0.12 1.11 0.25 0.77 -1.93 0.00 0.00 178.83 179.14 2bkj h SER 191 N 0.84 0.84 -0.57 -0.69 0.02 -1.14 -1.78 113.55 111.07 2bkj h SER 191 Ca 0.10 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2bkj h SER 191 Cb 0.82 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2bkj h SER 191 CO 0.07 0.78 0.10 0.22 -1.14 0.00 0.00 176.83 176.86 2bkj h TYR 192 N 0.85 1.00 -0.77 3.45 3.20 -1.10 -1.87 116.97 121.74 2bkj h TYR 192 Ca 0.20 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2bkj h TYR 192 Cb 0.20 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 2bkj h TYR 192 CO 0.01 0.87 0.48 -0.44 -1.64 0.00 0.00 178.16 177.44 2bkj h ASP 193 N 0.84 0.76 -0.12 -2.11 3.32 -0.77 -0.03 116.42 118.31 2bkj h ASP 193 Ca 0.18 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 2bkj h ASP 193 Cb 0.40 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2bkj h ASP 193 CO 0.01 0.50 -0.19 1.56 -1.72 0.00 0.00 179.24 179.40 2bkj h GLN 194 N 0.89 0.52 -0.51 3.56 7.50 -1.06 -0.44 115.11 125.58 2bkj h GLN 194 Ca 0.33 -0.18 -0.11 0.00 0.50 0.00 0.00 58.65 59.19 2bkj h GLN 194 Cb 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.58 2bkj h GLN 194 CO -0.15 0.69 -0.13 1.15 -1.50 0.00 0.00 178.83 178.89 2bkj h THR 195 N 0.47 1.27 -0.04 -0.54 2.02 -0.47 -1.96 112.91 113.65 2bkj h THR 195 Ca 0.08 -1.27 -0.15 0.00 0.77 0.00 0.00 66.41 65.84 2bkj h THR 195 Cb 0.60 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2bkj h THR 195 CO 0.04 0.44 -0.66 0.24 0.37 0.00 0.00 175.52 175.96 2bkj h MET 196 N 0.86 0.17 -0.30 6.66 2.07 -0.67 -2.29 114.93 121.43 2bkj h MET 196 Ca 0.13 -0.13 -0.13 0.00 -2.07 0.00 0.00 59.70 57.50 2bkj h MET 196 Cb 0.68 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.42 2bkj h MET 196 CO 0.05 0.77 -0.33 1.96 1.07 0.00 0.00 176.91 180.43 2bkj h GLN 197 N 0.12 0.65 0.00 1.72 4.20 -0.92 -1.96 115.11 118.92 2bkj h GLN 197 Ca -0.01 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 2bkj h GLN 197 Cb 1.18 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2bkj h GLN 197 CO 0.10 0.89 -0.38 0.00 -0.67 0.00 0.00 178.83 178.77 2bkj h ALA 198 N 1.09 1.17 -0.21 3.87 0.00 -1.20 -2.78 119.26 121.19 2bkj h ALA 198 Ca 0.06 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2bkj h ALA 198 Cb 0.83 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2bkj h ALA 198 CO 0.07 0.48 -0.62 -0.92 0.00 0.00 0.00 179.25 178.26 2bkj h TYR 199 N 0.00 1.03 0.00 0.00 3.20 -1.00 -3.51 116.97 116.68 2bkj h TYR 199 Ca -0.00 -0.41 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2bkj h TYR 199 Cb 0.77 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2bkj h TYR 199 CO 0.00 1.23 0.00 0.66 -1.64 0.00 0.00 178.16 178.41 2bkj n TYR 200 N -4.03 0.00 0.00 -3.82 4.01 -0.77 -5.11 117.16 107.44 2bkj n TYR 200 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2bkj n TYR 200 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 2bkj n TYR 200 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2bkj n SER 210 N 0.00 0.00 -4.95 7.72 2.88 -1.26 -5.08 113.62 112.93 2bkj n SER 210 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 2bkj n SER 210 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 2bkj n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2bkj s THR 211 N 0.00 2.63 0.11 2.46 -4.23 -1.26 -4.93 115.64 110.41 2bkj s THR 211 Ca 0.00 -0.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.63 2bkj s THR 211 Cb 0.00 -2.95 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 2bkj s THR 211 CO 0.00 0.00 1.75 -0.25 -0.54 0.00 0.00 174.62 175.58 2bkj h TRP 212 N 0.04 0.18 -0.62 3.99 7.01 -1.95 0.58 115.95 125.18 2bkj h TRP 212 Ca -0.41 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.56 2bkj h TRP 212 Cb 1.29 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 28.26 2bkj h TRP 212 CO 0.33 0.13 0.25 0.66 -2.79 0.00 0.00 178.44 177.02 2bkj h SER 213 N 0.18 0.83 -0.11 2.65 4.64 -1.95 -0.31 113.55 119.47 2bkj h SER 213 Ca 0.05 -0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 2bkj h SER 213 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2bkj h SER 213 CO -0.01 0.74 -0.48 1.56 -0.87 0.00 0.00 176.83 177.77 2bkj h GLN 214 N 0.90 0.68 0.14 4.77 7.50 -1.89 -2.49 115.11 124.72 2bkj h GLN 214 Ca 0.21 -0.39 -0.01 0.00 0.50 0.00 0.00 58.65 58.96 2bkj h GLN 214 Cb 0.17 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.73 2bkj h GLN 214 CO -0.02 1.01 -0.07 1.05 -1.50 0.00 0.00 178.83 179.30 2bkj h GLU 215 N 0.54 -0.18 -0.62 1.46 4.11 -0.43 -2.00 114.58 117.45 2bkj h GLU 215 Ca 0.03 0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 2bkj h GLU 215 Cb 1.04 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2bkj h GLU 215 CO 0.10 0.24 0.14 -0.39 0.07 0.00 0.00 179.01 179.17 2bkj h VAL 216 N -0.68 1.25 0.00 -1.06 -1.51 -1.15 -2.37 116.25 110.73 2bkj h VAL 216 Ca -0.02 -0.94 -0.11 0.00 -1.23 0.00 0.00 66.70 64.41 2bkj h VAL 216 Cb 0.50 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 2bkj h VAL 216 CO 0.03 0.35 -0.52 0.71 -1.23 0.00 0.00 177.57 176.91 2bkj h THR 217 N 0.91 1.15 -0.47 7.19 1.35 -1.55 -2.40 112.91 119.08 2bkj h THR 217 Ca 0.19 -1.93 -0.09 0.00 -0.55 0.00 0.00 66.41 64.03 2bkj h THR 217 Cb 0.37 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 2bkj h THR 217 CO 0.00 0.51 -0.08 1.23 -0.25 0.00 0.00 175.52 176.93 2bkj h GLY 218 N 2.17 0.90 0.95 5.82 0.00 -1.10 -0.03 103.07 111.78 2bkj h GLY 218 Ca -0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 2bkj h GLY 218 CO 0.07 0.61 -0.14 1.70 0.00 0.00 0.00 176.54 178.78 2bkj h LYS 219 N 0.76 0.69 0.00 4.80 3.64 -1.26 -2.93 116.57 122.26 2bkj h LYS 219 Ca 0.13 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2bkj h LYS 219 Cb 0.57 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2bkj h LYS 219 CO 0.03 0.88 0.00 -0.07 -2.27 0.00 0.00 179.45 178.03 2bkj h LEU 220 N 0.46 0.00 -0.89 5.20 3.38 -1.18 -2.66 115.31 119.62 2bkj h LEU 220 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2bkj h LEU 220 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2bkj h LEU 220 CO 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.55 2bkj h ALA 221 N 2.24 1.00 -3.00 1.53 0.00 -0.81 -3.44 119.26 116.77 2bkj h ALA 221 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bkj h ALA 221 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bkj h ALA 221 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2bkj n GLY 222 N 0.45 1.14 3.73 0.00 0.00 -1.00 -5.08 105.19 104.42 2bkj n GLY 222 Ca 0.02 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 2bkj n GLY 222 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bkj s GLU 223 N 2.13 4.23 -0.55 1.61 2.02 -1.26 -5.05 118.70 121.83 2bkj s GLU 223 Ca 0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.80 2bkj s GLU 223 Cb 0.00 -3.42 0.11 0.00 0.10 0.00 0.00 34.13 30.92 2bkj s GLU 223 CO 0.00 0.26 0.56 -1.12 0.02 0.00 0.00 175.26 174.98 2bkj s SER 224 N 0.42 6.18 -0.67 -0.19 0.01 -1.26 -4.74 113.70 113.45 2bkj s SER 224 Ca 0.13 -1.58 -0.10 0.00 1.31 0.00 0.00 55.95 55.72 2bkj s SER 224 Cb -0.12 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.88 2bkj s SER 224 CO 0.02 -0.92 0.43 0.54 0.41 0.00 0.00 173.24 173.72 2bkj n ARG 225 N 5.64 -0.82 0.08 12.44 1.74 -1.26 -4.79 116.66 129.69 2bkj n ARG 225 Ca -0.12 0.25 0.05 0.00 -0.77 0.00 0.00 57.85 57.27 2bkj n ARG 225 Cb 0.41 -1.45 0.28 0.00 -1.02 0.00 0.00 32.46 30.68 2bkj n ARG 225 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2bkj n PRO 226 N -2.68 0.07 0.00 5.56 -0.04 -1.26 -1.81 135.00 134.84 2bkj n PRO 226 Ca -0.17 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 2bkj n PRO 226 Cb 0.44 -1.77 0.48 0.00 -0.04 0.00 0.00 33.50 32.60 2bkj n PRO 226 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2bkj n HIS 227 N -1.84 0.00 -0.03 0.54 1.44 -1.26 -4.37 115.22 109.69 2bkj n HIS 227 Ca -0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.59 2bkj n HIS 227 Cb 0.07 -0.23 -0.05 0.00 0.12 0.00 0.00 29.99 29.90 2bkj n HIS 227 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 2bkj h ILE 228 N 0.51 1.12 -0.24 0.61 1.08 -1.70 -1.94 117.51 116.95 2bkj h ILE 228 Ca 0.00 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 2bkj h ILE 228 Cb 0.44 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2bkj h ILE 228 CO 0.00 0.11 0.12 0.25 -0.69 0.00 0.00 178.15 177.95 2bkj h LEU 229 N 0.10 0.31 -1.26 1.44 5.85 -1.83 -0.84 115.31 119.07 2bkj h LEU 229 Ca 0.05 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2bkj h LEU 229 Cb 0.12 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2bkj h LEU 229 CO -0.01 0.33 0.52 -0.65 -0.34 0.00 0.00 178.44 178.29 2bkj h PRO 230 N 0.26 0.91 -0.17 5.25 0.11 -1.81 -0.01 132.00 136.55 2bkj h PRO 230 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2bkj h PRO 230 Cb 0.09 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2bkj h PRO 230 CO -0.01 0.60 0.07 -0.92 -0.21 0.00 0.00 178.00 177.53 2bkj h TYR 231 N 0.93 0.26 -0.54 0.65 3.20 -0.93 0.03 116.97 120.57 2bkj h TYR 231 Ca 0.33 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2bkj h TYR 231 Cb 0.11 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2bkj h TYR 231 CO -0.00 0.32 0.34 -0.07 -1.64 0.00 0.00 178.16 177.11 2bkj h LEU 232 N 0.13 0.58 -1.02 2.82 3.38 -0.51 -2.50 115.31 118.19 2bkj h LEU 232 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2bkj h LEU 232 Cb 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2bkj h LEU 232 CO -0.01 0.41 0.46 0.78 0.09 0.00 0.00 178.44 180.18 2bkj h ASN 233 N 0.69 1.02 0.28 -0.43 -0.26 -0.79 -0.58 115.58 115.52 2bkj h ASN 233 Ca 0.21 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2bkj h ASN 233 Cb -0.03 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 36.97 2bkj h ASN 233 CO -0.07 0.82 -0.06 0.77 -1.06 0.00 0.00 177.43 177.82 2bkj h SER 234 N 1.16 0.00 -0.37 5.81 4.64 -0.54 -0.69 113.55 123.55 2bkj h SER 234 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2bkj h SER 234 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2bkj h SER 234 CO -0.05 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 2bkj n LYS 235 N -3.54 2.32 -1.20 4.77 4.76 -0.72 -4.94 118.16 119.60 2bkj n LYS 235 Ca -0.02 -2.00 0.00 0.00 -2.87 0.00 0.00 58.31 53.42 2bkj n LYS 235 Cb 0.18 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2bkj n LYS 235 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bkj n GLY 236 N 1.41 0.46 3.46 0.72 0.00 -0.27 -0.34 105.19 110.64 2bkj n GLY 236 Ca 0.19 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 2bkj n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bkj s LEU 237 N 0.00 2.56 -1.48 0.99 1.43 -0.31 -3.62 118.68 118.25 2bkj s LEU 237 Ca 0.00 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.25 2bkj s LEU 237 Cb 0.00 -1.31 0.06 0.00 0.03 0.00 0.00 46.19 44.97 2bkj s LEU 237 CO 0.00 0.13 0.70 0.00 0.23 0.00 0.00 176.35 177.40 2bkj n ALA 238 N 0.30 -1.66 0.23 4.21 0.00 -1.07 -2.71 120.51 119.81 2bkj n ALA 238 Ca -0.13 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.35 2bkj n ALA 238 Cb 0.55 -2.77 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 2bkj n ALA 238 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bkj n LYS 239 N -4.45 0.52 0.00 0.00 5.02 -0.04 -4.79 118.16 114.41 2bkj n LYS 239 Ca -0.14 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2bkj n LYS 239 Cb 0.60 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2bkj n LYS 239 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77