#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 0.37 0.04 0.53 7.08 -2.05 -2.40 115.58 119.15 2bkj h ASN 3 Ca 0.00 -0.09 -0.00 0.00 -3.08 0.00 0.00 56.30 53.13 2bkj h ASN 3 Cb 0.00 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 36.14 2bkj h ASN 3 CO 0.00 0.54 -0.02 0.74 -2.08 0.00 0.00 177.43 176.61 2bkj h THR 4 N 0.36 1.03 -0.27 6.14 2.02 -2.03 -0.76 112.91 119.40 2bkj h THR 4 Ca 0.07 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 2bkj h THR 4 Cb 0.46 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2bkj h THR 4 CO 0.03 0.05 -0.26 0.40 0.37 0.00 0.00 175.52 176.12 2bkj h ILE 5 N -0.15 1.27 -0.68 3.11 2.04 -1.99 -1.94 117.51 119.18 2bkj h ILE 5 Ca -0.01 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2bkj h ILE 5 Cb 0.13 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2bkj h ILE 5 CO 0.01 0.41 0.21 -0.33 0.00 0.00 0.00 178.15 178.46 2bkj h GLU 6 N 0.46 1.05 -0.25 2.37 5.08 -1.25 -1.24 114.58 120.79 2bkj h GLU 6 Ca 0.07 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2bkj h GLU 6 Cb 0.69 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2bkj h GLU 6 CO 0.05 0.91 0.03 1.15 -1.00 0.00 0.00 179.01 180.15 2bkj h THR 7 N 0.99 1.24 -0.36 1.13 2.02 -0.89 -1.96 112.91 115.08 2bkj h THR 7 Ca 0.22 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2bkj h THR 7 Cb 0.30 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2bkj h THR 7 CO -0.01 0.26 0.19 0.40 0.37 0.00 0.00 175.52 176.73 2bkj h ILE 8 N 0.23 1.01 0.00 3.11 2.04 -1.12 -2.66 117.51 120.12 2bkj h ILE 8 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2bkj h ILE 8 Cb 0.35 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2bkj h ILE 8 CO 0.01 0.07 0.00 -0.07 0.00 0.00 0.00 178.15 178.16 2bkj h LEU 9 N 0.40 0.00 -0.58 1.44 3.38 -1.20 -3.08 115.31 115.67 2bkj h LEU 9 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bkj h LEU 9 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bkj h LEU 9 CO -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.44 2bkj n ALA 10 N -2.05 2.63 -1.75 1.53 0.00 -0.74 -4.96 120.51 115.17 2bkj n ALA 10 Ca 0.02 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 2bkj n ALA 10 Cb 0.37 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.02 2.30 -0.29 0.00 5.04 -1.17 -4.98 115.29 114.19 2bkj s HIS 11 Ca 0.41 1.33 -0.20 0.00 -1.54 0.00 0.00 55.06 55.07 2bkj s HIS 11 Cb 0.21 -3.85 0.13 0.00 0.04 0.00 0.00 32.58 29.11 2bkj s HIS 11 CO 0.35 -2.98 0.98 -0.98 -2.34 0.00 0.00 174.74 169.77 2bkj s ARG 12 N -2.80 0.46 0.18 2.88 3.03 -1.26 -4.72 118.95 116.72 2bkj s ARG 12 Ca 0.69 0.67 -0.31 0.00 2.03 0.00 0.00 55.73 58.81 2bkj s ARG 12 Cb -0.42 0.16 -0.10 0.00 -1.03 0.00 0.00 34.95 33.56 2bkj s ARG 12 CO 0.51 -0.08 1.55 -1.12 -1.13 0.00 0.00 175.30 175.03 2bkj s SER 13 N 0.85 6.60 -0.23 -2.89 0.01 -1.26 -4.73 113.70 112.05 2bkj s SER 13 Ca -0.04 2.62 -0.08 0.00 1.31 0.00 0.00 55.95 59.77 2bkj s SER 13 Cb -0.04 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2bkj s SER 13 CO -0.11 -0.81 0.08 -0.63 0.41 0.00 0.00 173.24 172.18 2bkj s ILE 14 N 0.98 4.50 -0.26 1.44 -1.09 -0.47 -4.89 121.20 121.40 2bkj s ILE 14 Ca 0.68 -0.11 0.11 0.00 -2.23 0.00 0.00 60.65 59.10 2bkj s ILE 14 Cb -0.43 -3.09 0.25 0.00 -1.58 0.00 0.00 42.46 37.61 2bkj s ILE 14 CO 0.33 0.36 1.18 0.54 -1.23 0.00 0.00 174.94 176.12 2bkj n ARG 15 N 4.58 2.48 -3.69 2.79 1.74 -1.26 -4.18 116.66 119.11 2bkj n ARG 15 Ca -0.16 -2.18 -0.16 0.00 -0.77 0.00 0.00 57.85 54.58 2bkj n ARG 15 Cb 0.52 -1.36 -0.16 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.88 0.03 0.27 5.56 2.20 -1.26 -4.61 119.74 120.05 2bkj s LYS 16 Ca 0.22 0.49 0.10 0.00 -0.36 0.00 0.00 55.97 56.41 2bkj s LYS 16 Cb 0.17 -0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 2bkj s LYS 16 CO 0.06 -0.28 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.57 2bkj s PHE 17 N 2.00 2.12 0.69 4.03 0.08 -1.26 -0.56 117.98 125.08 2bkj s PHE 17 Ca 0.00 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2bkj s PHE 17 Cb -0.12 -1.03 0.12 0.00 -0.57 0.00 0.00 43.02 41.41 2bkj s PHE 17 CO -0.05 0.54 0.96 0.95 -0.10 0.00 0.00 175.22 177.51 2bkj s THR 18 N -2.72 2.17 -1.94 0.64 -4.23 -0.67 -4.76 115.64 104.15 2bkj s THR 18 Ca 0.29 -0.64 0.29 0.00 -1.18 0.00 0.00 61.69 60.44 2bkj s THR 18 Cb -0.01 -2.53 0.51 0.00 1.34 0.00 0.00 72.50 71.80 2bkj s THR 18 CO 0.13 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 176.04 2bkj n ALA 19 N -2.74 2.76 -1.91 3.99 0.00 -1.26 -4.71 120.51 116.64 2bkj n ALA 19 Ca 0.15 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2bkj n ALA 19 Cb 0.61 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.29 3.35 0.81 0.00 1.01 -1.26 -4.98 120.40 117.04 2bkj s VAL 20 Ca 0.33 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 2bkj s VAL 20 Cb 0.20 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 33.34 2bkj s VAL 20 CO 0.43 -0.04 1.09 -2.16 0.00 0.00 0.00 175.10 174.43 2bkj s PRO 21 N 3.89 1.98 -0.13 2.72 0.04 -1.26 -4.48 135.00 137.76 2bkj s PRO 21 Ca 0.77 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 2bkj s PRO 21 Cb -0.37 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2bkj s PRO 21 CO 0.33 -1.72 0.35 0.42 0.04 0.00 0.00 177.00 176.42 2bkj s ILE 22 N -3.07 5.25 0.76 0.56 1.01 -1.26 -4.99 121.20 119.46 2bkj s ILE 22 Ca 0.61 0.68 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 2bkj s ILE 22 Cb -0.15 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.69 2bkj s ILE 22 CO 0.55 0.40 1.12 0.42 0.00 0.00 0.00 174.94 177.43 2bkj s THR 23 N 0.32 2.94 0.36 2.92 -4.23 -1.26 -4.83 115.64 111.87 2bkj s THR 23 Ca 0.20 0.36 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 2bkj s THR 23 Cb -0.14 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 71.18 2bkj s THR 23 CO 0.06 -0.35 2.01 0.44 -0.54 0.00 0.00 174.62 176.24 2bkj h ASP 24 N -0.86 0.64 -0.35 3.99 3.32 -1.99 -1.15 116.42 120.02 2bkj h ASP 24 Ca -0.45 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 2bkj h ASP 24 Cb 1.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2bkj h ASP 24 CO 0.50 0.49 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.14 2bkj h GLU 25 N 0.74 0.64 -0.38 3.56 3.07 -1.99 -1.44 114.58 118.78 2bkj h GLU 25 Ca 0.20 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2bkj h GLU 25 Cb -0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 2bkj h GLU 25 CO -0.04 0.78 0.12 1.96 -1.40 0.00 0.00 179.01 180.43 2bkj h GLN 26 N 0.44 0.59 -0.39 2.33 4.20 -1.80 -1.80 115.11 118.69 2bkj h GLN 26 Ca 0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2bkj h GLN 26 Cb 0.52 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2bkj h GLN 26 CO 0.03 0.61 0.15 -0.09 -0.67 0.00 0.00 178.83 178.85 2bkj h ARG 27 N 0.47 0.58 -0.77 1.46 2.43 -1.20 -0.40 114.38 116.94 2bkj h ARG 27 Ca 0.12 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2bkj h ARG 27 Cb 0.26 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2bkj h ARG 27 CO -0.00 0.56 0.47 1.96 -1.51 0.00 0.00 179.97 181.44 2bkj h GLN 28 N 0.48 1.04 -0.27 0.20 4.20 -1.19 -1.01 115.11 118.56 2bkj h GLN 28 Ca 0.13 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 2bkj h GLN 28 Cb 0.19 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2bkj h GLN 28 CO -0.01 0.73 -0.44 1.15 -0.67 0.00 0.00 178.83 179.58 2bkj h THR 29 N 1.06 1.29 -0.60 -0.54 2.02 -1.00 -1.12 112.91 114.02 2bkj h THR 29 Ca 0.28 -1.63 -0.05 0.00 0.77 0.00 0.00 66.41 65.78 2bkj h THR 29 Cb -0.05 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2bkj h THR 29 CO -0.05 0.52 0.18 0.40 0.37 0.00 0.00 175.52 176.94 2bkj h ILE 30 N 0.56 1.24 -0.31 3.11 2.04 -0.45 -1.15 117.51 122.56 2bkj h ILE 30 Ca 0.04 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 2bkj h ILE 30 Cb 0.99 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2bkj h ILE 30 CO 0.09 0.32 -0.06 0.40 0.00 0.00 0.00 178.15 178.90 2bkj h ILE 31 N 0.86 1.28 -0.42 -0.67 1.08 -1.09 -2.45 117.51 116.10 2bkj h ILE 31 Ca 0.19 -1.08 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 2bkj h ILE 31 Cb 0.30 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 2bkj h ILE 31 CO -0.00 0.35 0.16 1.56 -0.69 0.00 0.00 178.15 179.53 2bkj h GLN 32 N 0.36 0.59 -0.56 2.37 1.08 -1.05 -0.91 115.11 116.99 2bkj h GLN 32 Ca 0.08 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2bkj h GLN 32 Cb 0.54 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2bkj h GLN 32 CO 0.03 0.50 0.15 0.00 -0.95 0.00 0.00 178.83 178.56 2bkj h ALA 33 N 1.59 0.74 -0.68 3.87 0.00 -1.05 -1.71 119.26 122.01 2bkj h ALA 33 Ca 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2bkj h ALA 33 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2bkj h ALA 33 CO -0.01 0.43 0.20 0.78 0.00 0.00 0.00 179.25 180.64 2bkj h GLY 34 N 0.80 1.15 1.91 0.00 0.00 -0.85 -2.80 103.07 103.28 2bkj h GLY 34 Ca 0.18 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 2bkj h GLY 34 CO -0.00 0.65 -0.28 1.41 0.00 0.00 0.00 176.54 178.32 2bkj h LEU 35 N 1.01 0.10 0.00 3.11 3.38 -0.92 -2.66 115.31 119.33 2bkj h LEU 35 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bkj h LEU 35 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2bkj h LEU 35 CO -0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2bkj n ALA 36 N -2.48 1.95 -1.66 1.53 0.00 -0.67 -4.81 120.51 114.37 2bkj n ALA 36 Ca -0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 2bkj n ALA 36 Cb 0.35 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.37 2.68 0.64 0.00 0.00 -1.00 -5.00 121.76 116.70 2bkj s ALA 37 Ca 0.18 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 2bkj s ALA 37 Cb 0.11 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2bkj s ALA 37 CO 0.22 -0.86 1.26 -1.12 0.00 0.00 0.00 175.76 175.25 2bkj s SER 38 N -2.48 4.75 -0.04 0.00 0.01 -1.26 -5.02 113.70 109.66 2bkj s SER 38 Ca 0.66 2.53 0.01 0.00 1.31 0.00 0.00 55.95 60.46 2bkj s SER 38 Cb -0.18 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.46 2bkj s SER 38 CO 0.34 -1.90 -0.02 -0.55 0.41 0.00 0.00 173.24 171.52 2bkj s SER 39 N -1.51 0.83 -0.05 2.44 0.15 -1.26 -4.85 113.70 109.45 2bkj s SER 39 Ca 0.80 -0.09 -0.31 0.00 0.70 0.00 0.00 55.95 57.05 2bkj s SER 39 Cb -0.35 -0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 63.50 2bkj s SER 39 CO 0.38 -0.08 1.99 -1.20 1.20 0.00 0.00 173.24 175.52 2bkj n SER 40 N 4.19 3.77 -1.81 5.45 7.64 -1.26 -1.58 113.62 130.02 2bkj n SER 40 Ca -0.24 0.82 -0.15 0.00 1.01 0.00 0.00 58.87 60.32 2bkj n SER 40 Cb 0.51 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 2bkj n SER 40 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2bkj n SER 41 N 7.85 -4.12 -2.48 6.43 7.64 -1.26 -1.11 113.62 126.58 2bkj n SER 41 Ca 0.23 0.28 -0.15 0.00 1.01 0.00 0.00 58.87 60.23 2bkj n SER 41 Cb 0.37 -3.66 -0.01 0.00 -1.01 0.00 0.00 64.21 59.91 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 -2.32 -2.20 0.14 1.43 1.56 -0.62 -4.86 117.12 110.26 2bkj n MET 42 Ca -0.16 0.71 -0.00 0.00 -0.27 0.00 0.00 57.70 57.98 2bkj n MET 42 Cb 0.54 -5.34 0.25 0.00 2.15 0.00 0.00 33.22 30.82 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 -0.07 0.08 -3.05 -0.89 3.38 -1.35 -3.48 115.31 109.93 2bkj h LEU 43 Ca -0.36 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.34 2bkj h LEU 43 Cb 1.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2bkj h LEU 43 CO 0.42 0.54 -0.59 0.00 0.09 0.00 0.00 178.44 178.91 2bkj n GLN 44 N -3.97 -1.52 -0.65 1.13 6.02 -1.26 -4.92 117.38 112.21 2bkj n GLN 44 Ca -0.02 1.20 0.08 0.00 -0.01 0.00 0.00 57.00 58.26 2bkj n GLN 44 Cb 0.51 -4.00 0.35 0.00 1.02 0.00 0.00 30.24 28.11 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 -1.97 2.12 -4.50 5.09 0.24 -1.26 -4.96 118.33 113.09 2bkj n VAL 45 Ca -0.14 -1.35 -0.34 0.00 -2.04 0.00 0.00 64.34 60.47 2bkj n VAL 45 Cb 0.60 -0.02 -0.12 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.20 3.82 0.02 3.34 1.01 -1.26 0.48 120.40 125.61 2bkj s VAL 46 Ca 0.49 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2bkj s VAL 46 Cb 0.34 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2bkj s VAL 46 CO 0.19 0.54 -0.22 -0.44 0.00 0.00 0.00 175.10 175.17 2bkj s SER 47 N -0.18 2.67 -0.14 3.32 0.01 -0.44 -4.89 113.70 114.04 2bkj s SER 47 Ca 0.03 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.81 2bkj s SER 47 Cb -0.13 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.85 2bkj s SER 47 CO 0.03 0.22 -0.18 -0.63 0.41 0.00 0.00 173.24 173.09 2bkj s ILE 48 N -0.70 2.52 -0.35 1.44 1.01 -1.26 -0.75 121.20 123.11 2bkj s ILE 48 Ca 0.09 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2bkj s ILE 48 Cb -0.09 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.38 2bkj s ILE 48 CO 0.01 0.53 0.14 -0.69 0.00 0.00 0.00 174.94 174.93 2bkj s VAL 49 N 0.63 4.10 -0.28 2.92 1.01 0.05 -4.91 120.40 123.92 2bkj s VAL 49 Ca -0.09 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 2bkj s VAL 49 Cb -0.16 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2bkj s VAL 49 CO 0.03 -0.17 0.76 -0.60 0.00 0.00 0.00 175.10 175.12 2bkj s ARG 50 N 1.47 4.06 -0.49 2.72 3.52 -1.26 -0.97 118.95 127.99 2bkj s ARG 50 Ca 0.00 0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 56.13 2bkj s ARG 50 Cb -0.19 -3.69 0.09 0.00 -1.56 0.00 0.00 34.95 29.60 2bkj s ARG 50 CO 0.04 -0.57 0.42 0.08 -0.81 0.00 0.00 175.30 174.46 2bkj s VAL 51 N 2.82 5.19 -0.03 7.11 1.01 -0.77 -4.87 120.40 130.86 2bkj s VAL 51 Ca 0.32 -1.19 0.20 0.00 0.00 0.00 0.00 61.98 61.31 2bkj s VAL 51 Cb -0.15 -4.16 -0.31 0.00 0.00 0.00 0.00 36.38 31.76 2bkj s VAL 51 CO 0.10 -0.65 0.43 0.35 0.00 0.00 0.00 175.10 175.33 2bkj n THR 52 N 5.20 0.03 -2.01 3.92 -2.24 -1.26 -4.45 114.28 113.48 2bkj n THR 52 Ca -0.13 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 2bkj n THR 52 Cb 0.43 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 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 -4.35 6.59 0.48 3.42 2.15 -1.26 -4.90 116.67 118.79 2bkj s ASP 53 Ca -0.07 2.13 0.13 0.00 0.43 0.00 0.00 52.55 55.17 2bkj s ASP 53 Cb 0.13 -2.53 1.11 0.00 -0.30 0.00 0.00 42.92 41.33 2bkj s ASP 53 CO 0.84 -1.01 2.11 0.77 -0.17 0.00 0.00 175.17 177.71 2bkj h SER 54 N 9.89 0.16 0.05 -0.34 4.64 -1.99 -1.62 113.55 124.34 2bkj h SER 54 Ca -0.38 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 60.71 2bkj h SER 54 Cb 1.18 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2bkj h SER 54 CO 0.96 0.13 -0.85 -0.33 -0.87 0.00 0.00 176.83 175.87 2bkj h GLU 55 N 0.19 0.63 -0.23 4.77 4.39 -2.00 -2.50 114.58 119.82 2bkj h GLU 55 Ca 0.05 -0.57 -0.11 0.00 0.34 0.00 0.00 59.36 59.07 2bkj h GLU 55 Cb 0.00 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2bkj h GLU 55 CO -0.01 1.18 -0.33 0.87 -1.16 0.00 0.00 179.01 179.56 2bkj h LYS 56 N 0.41 0.50 -0.45 2.33 1.57 -1.88 -2.18 116.57 116.86 2bkj h LYS 56 Ca -0.07 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2bkj h LYS 56 Cb 1.47 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 2bkj h LYS 56 CO 0.16 0.77 0.28 0.00 -0.57 0.00 0.00 179.45 180.09 2bkj h ARG 57 N 0.42 0.61 -0.53 3.15 2.47 -1.26 0.76 114.38 120.01 2bkj h ARG 57 Ca 0.05 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2bkj h ARG 57 Cb 0.79 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 2bkj h ARG 57 CO 0.06 0.43 0.33 -0.91 0.56 0.00 0.00 179.97 180.44 2bkj h ASN 58 N 0.60 0.63 -0.47 7.04 4.21 -1.21 -0.10 115.58 126.28 2bkj h ASN 58 Ca 0.16 -0.05 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 2bkj h ASN 58 Cb -0.03 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2bkj h ASN 58 CO -0.03 0.49 0.00 -0.33 -1.29 0.00 0.00 177.43 176.27 2bkj h GLU 59 N 0.71 0.89 -0.18 0.81 5.08 -1.02 -2.58 114.58 118.30 2bkj h GLU 59 Ca 0.19 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2bkj h GLU 59 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2bkj h GLU 59 CO -0.04 0.89 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.36 2bkj h LEU 60 N 0.82 0.46 -0.97 1.33 3.38 -0.48 0.00 115.31 119.86 2bkj h LEU 60 Ca 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2bkj h LEU 60 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2bkj h LEU 60 CO 0.02 0.84 0.26 0.00 0.09 0.00 0.00 178.44 179.65 2bkj h ALA 61 N 1.18 1.18 -0.16 1.53 0.00 -0.77 -0.79 119.26 121.43 2bkj h ALA 61 Ca 0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2bkj h ALA 61 Cb 0.91 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2bkj h ALA 61 CO 0.08 0.59 -0.41 -0.56 0.00 0.00 0.00 179.25 178.94 2bkj h GLN 62 N 0.98 0.57 0.00 0.00 -0.00 -1.17 0.38 115.11 115.87 2bkj h GLN 62 Ca 0.23 -0.39 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 2bkj h GLN 62 Cb 0.20 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 2bkj h GLN 62 CO -0.02 1.01 0.00 1.19 -0.00 0.00 0.00 178.83 181.01 2bkj n PHE 63 N -4.26 0.12 1.18 0.06 3.72 -0.04 -1.58 117.46 116.66 2bkj n PHE 63 Ca -0.07 0.05 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 2bkj n PHE 63 Cb 0.54 -0.58 0.25 0.00 -0.94 0.00 0.00 39.48 38.75 2bkj n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bkj n ALA 64 N -1.54 2.85 0.00 4.37 0.00 -0.33 -4.20 120.51 121.66 2bkj n ALA 64 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2bkj n ALA 64 Cb 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.32 1.58 3.51 0.00 0.00 -0.62 -4.53 105.19 106.45 2bkj n GLY 65 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -3.09 -4.40 1.61 3.02 0.06 -4.95 115.26 107.51 2bkj n ASN 66 Ca 0.00 -0.63 -0.44 0.00 -0.03 0.00 0.00 54.58 53.48 2bkj n ASN 66 Cb 0.00 -4.96 -0.04 0.00 -0.61 0.00 0.00 39.78 34.17 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 -5.69 3.16 0.35 3.52 -0.21 -0.79 -4.94 119.66 115.05 2bkj s GLN 67 Ca 0.16 -1.29 0.14 0.00 0.02 0.00 0.00 55.36 54.39 2bkj s GLN 67 Cb -0.07 -4.34 1.00 0.00 1.00 0.00 0.00 33.01 30.59 2bkj s GLN 67 CO 0.74 -1.64 1.73 0.00 -2.12 0.00 0.00 175.29 174.00 2bkj h ALA 68 N 9.19 1.98 0.00 6.09 0.00 -1.92 -1.88 119.26 132.72 2bkj h ALA 68 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2bkj h ALA 68 Cb 1.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bkj h ALA 68 CO 1.11 -0.46 0.00 2.48 0.00 0.00 0.00 179.25 182.38 2bkj n TYR 69 N -4.83 0.63 0.02 0.00 4.11 -1.26 -1.41 117.16 114.42 2bkj n TYR 69 Ca 0.28 0.32 -0.07 0.00 -0.00 0.00 0.00 57.90 58.43 2bkj n TYR 69 Cb 0.85 -1.01 0.12 0.00 -0.00 0.00 0.00 39.34 39.29 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 1.31 0.13 -3.48 2.07 -1.72 -1.45 116.25 113.11 2bkj h VAL 70 Ca 0.00 -1.64 -0.33 0.00 0.82 0.00 0.00 66.70 65.55 2bkj h VAL 70 Cb 0.03 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2bkj h VAL 70 CO 0.00 0.51 -1.68 -0.33 0.02 0.00 0.00 177.57 176.09 2bkj h GLU 71 N 0.39 0.27 0.00 1.57 3.07 -1.43 -3.36 114.58 115.09 2bkj h GLU 71 Ca 0.03 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2bkj h GLU 71 Cb 0.94 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2bkj h GLU 71 CO 0.08 1.13 0.00 0.66 -1.40 0.00 0.00 179.01 179.49 2bkj h SER 72 N 0.07 0.00 -4.00 1.42 4.64 -1.48 -3.46 113.55 110.74 2bkj h SER 72 Ca -0.30 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.48 2bkj h SER 72 Cb 2.04 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 64.24 2bkj h SER 72 CO 0.15 0.00 0.61 0.00 -0.87 0.00 0.00 176.83 176.72 2bkj s ALA 73 N -3.12 3.05 0.34 5.18 0.00 -0.55 -4.82 121.76 121.84 2bkj s ALA 73 Ca 0.10 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.39 2bkj s ALA 73 Cb 0.11 -3.52 0.61 0.00 0.00 0.00 0.00 23.12 20.32 2bkj s ALA 73 CO 0.61 -1.09 1.85 0.00 0.00 0.00 0.00 175.76 177.13 2bkj h ALA 74 N 2.05 1.35 -3.36 0.00 0.00 -1.52 -3.44 119.26 114.34 2bkj h ALA 74 Ca -0.50 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 53.97 2bkj h ALA 74 Cb 1.27 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 2bkj h ALA 74 CO 0.60 0.44 -0.69 -1.21 0.00 0.00 0.00 179.25 178.39 2bkj s GLU 75 N -4.76 0.16 -0.15 0.00 0.41 -0.46 -4.81 118.70 109.07 2bkj s GLU 75 Ca -0.07 -0.26 -0.03 0.00 -0.41 0.00 0.00 54.97 54.21 2bkj s GLU 75 Cb 0.15 0.06 0.05 0.00 -1.78 0.00 0.00 34.13 32.61 2bkj s GLU 75 CO 0.76 -0.03 0.04 0.12 -0.49 0.00 0.00 175.26 175.66 2bkj s PHE 76 N -0.66 0.78 -0.09 1.61 5.36 -1.26 -1.25 117.98 122.48 2bkj s PHE 76 Ca -0.07 -0.57 -0.02 0.00 -0.96 0.00 0.00 56.93 55.31 2bkj s PHE 76 Cb -0.04 -0.90 -0.03 0.00 -0.34 0.00 0.00 43.02 41.70 2bkj s PHE 76 CO -0.00 -0.51 -0.00 -0.51 -1.46 0.00 0.00 175.22 172.73 2bkj s LEU 77 N 1.94 3.54 -0.22 6.12 1.43 -0.67 -1.85 118.68 128.97 2bkj s LEU 77 Ca 0.01 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2bkj s LEU 77 Cb -0.16 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2bkj s LEU 77 CO -0.07 0.36 -0.10 -0.69 0.23 0.00 0.00 176.35 176.08 2bkj s VAL 78 N -0.79 2.76 -0.14 -1.59 1.01 -0.15 -0.17 120.40 121.32 2bkj s VAL 78 Ca 0.12 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 2bkj s VAL 78 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2bkj s VAL 78 CO 0.02 0.37 0.59 -0.36 0.00 0.00 0.00 175.10 175.72 2bkj s PHE 79 N 1.36 3.46 0.09 5.22 0.40 0.30 -0.77 117.98 128.05 2bkj s PHE 79 Ca 0.03 0.98 0.05 0.00 -0.60 0.00 0.00 56.93 57.39 2bkj s PHE 79 Cb -0.15 -2.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 2bkj s PHE 79 CO -0.07 -0.00 -0.14 0.00 0.70 0.00 0.00 175.22 175.71 2bkj s ILE 81 N -1.62 4.38 -0.24 0.00 1.01 0.09 -1.33 121.20 123.50 2bkj s ILE 81 Ca 0.02 2.06 -0.04 0.00 0.00 0.00 0.00 60.65 62.69 2bkj s ILE 81 Cb -0.08 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.16 2bkj s ILE 81 CO 0.02 0.35 0.10 -0.62 0.00 0.00 0.00 174.94 174.80 2bkj s ASP 82 N -0.25 3.07 0.00 3.58 -1.08 0.18 -2.16 116.67 120.00 2bkj s ASP 82 Ca 0.46 -1.01 0.09 0.00 -0.52 0.00 0.00 52.55 51.56 2bkj s ASP 82 Cb -0.24 -0.38 0.16 0.00 -1.46 0.00 0.00 42.92 41.00 2bkj s ASP 82 CO 0.31 -0.39 1.01 -1.22 0.52 0.00 0.00 175.17 175.40 2bkj n TYR 83 N 5.20 0.20 0.08 -5.34 4.01 -0.10 -4.50 117.16 116.71 2bkj n TYR 83 Ca -0.06 -0.27 -0.06 0.00 -0.16 0.00 0.00 57.90 57.34 2bkj n TYR 83 Cb 0.45 -0.02 0.10 0.00 -0.31 0.00 0.00 39.34 39.57 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 1.67 0.27 -0.35 -0.72 5.75 -1.76 -0.92 115.11 119.05 2bkj h GLN 84 Ca 0.00 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 2bkj h GLN 84 Cb 0.54 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2bkj h GLN 84 CO 0.00 0.81 0.22 0.00 -2.65 0.00 0.00 178.83 177.21 2bkj h ARG 85 N 0.20 0.44 -0.59 1.69 3.08 -1.93 0.93 114.38 118.19 2bkj h ARG 85 Ca -0.01 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2bkj h ARG 85 Cb 1.14 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2bkj h ARG 85 CO 0.10 0.29 0.01 0.45 -1.07 0.00 0.00 179.97 179.74 2bkj h HIS 86 N 0.45 1.12 -0.09 3.04 3.86 -1.82 -2.38 115.15 119.34 2bkj h HIS 86 Ca 0.13 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 2bkj h HIS 86 Cb -0.03 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 2bkj h HIS 86 CO -0.06 1.00 -0.24 0.00 0.86 0.00 0.00 177.93 179.49 2bkj h ALA 87 N 0.98 1.44 -0.15 2.45 0.00 -0.71 -0.02 119.26 123.25 2bkj h ALA 87 Ca 0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 2bkj h ALA 87 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bkj h ALA 87 CO 0.03 0.40 -0.70 1.15 0.00 0.00 0.00 179.25 180.13 2bkj h THR 88 N 0.14 1.32 -0.11 0.00 2.02 -0.54 -3.00 112.91 112.73 2bkj h THR 88 Ca 0.02 -1.97 -0.06 0.00 0.77 0.00 0.00 66.41 65.17 2bkj h THR 88 Cb 0.50 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2bkj h THR 88 CO 0.03 0.61 -0.15 0.40 0.37 0.00 0.00 175.52 176.79 2bkj h ILE 89 N 0.45 1.37 -3.14 3.11 2.04 -1.08 -3.42 117.51 116.84 2bkj h ILE 89 Ca -0.03 -1.37 -0.47 0.00 1.00 0.00 0.00 64.86 64.00 2bkj h ILE 89 Cb 1.29 2.00 -0.40 0.00 -0.74 0.00 0.00 36.82 38.98 2bkj h ILE 89 CO 0.14 0.39 -0.75 0.21 0.00 0.00 0.00 178.15 178.13 2bkj s ASN 90 N -6.11 2.40 0.30 1.72 3.84 -0.05 -5.02 114.94 112.01 2bkj s ASN 90 Ca -0.14 -0.61 0.23 0.00 0.21 0.00 0.00 52.86 52.55 2bkj s ASN 90 Cb 0.04 -0.35 1.10 0.00 -0.55 0.00 0.00 41.25 41.49 2bkj s ASN 90 CO 0.75 -0.32 1.69 -2.65 -2.79 0.00 0.00 177.10 173.77 2bkj n PRO 91 N 5.21 0.17 0.00 0.43 -0.02 -1.13 -2.60 135.00 137.05 2bkj n PRO 91 Ca -0.07 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.11 2bkj n PRO 91 Cb 0.49 -1.93 0.86 0.00 -0.02 0.00 0.00 33.50 32.90 2bkj n PRO 91 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2bkj n ASP 92 N -2.26 0.15 -4.73 2.55 8.00 -1.26 -4.89 116.55 114.11 2bkj n ASP 92 Ca 0.00 -0.86 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 2bkj n ASP 92 Cb 0.12 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.13 2.21 -0.53 2.53 1.01 -1.07 -4.97 120.40 117.45 2bkj s VAL 93 Ca 0.42 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 2bkj s VAL 93 Cb 0.21 -3.10 0.13 0.00 0.00 0.00 0.00 36.38 33.63 2bkj s VAL 93 CO 0.39 0.02 0.41 -1.10 0.00 0.00 0.00 175.10 174.82 2bkj s GLN 94 N 0.76 2.66 -0.05 2.72 -0.21 -1.26 -4.93 119.66 119.34 2bkj s GLN 94 Ca 0.71 -1.89 0.20 0.00 0.02 0.00 0.00 55.36 54.40 2bkj s GLN 94 Cb -0.47 -4.01 0.67 0.00 1.00 0.00 0.00 33.01 30.20 2bkj s GLN 94 CO 0.35 -1.22 1.57 0.00 -2.12 0.00 0.00 175.29 173.88 2bkj n ALA 95 N 4.75 2.70 1.39 6.09 0.00 -1.26 -4.50 120.51 129.68 2bkj n ALA 95 Ca -0.05 -1.45 0.14 0.00 0.00 0.00 0.00 53.44 52.07 2bkj n ALA 95 Cb 0.41 -0.95 0.44 0.00 0.00 0.00 0.00 19.45 19.35 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 1.35 1.54 -4.72 0.00 5.75 -1.24 -4.51 116.55 114.72 2bkj n ASP 96 Ca 0.25 -1.41 -0.42 0.00 -0.01 0.00 0.00 54.79 53.20 2bkj n ASP 96 Cb 0.75 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.85 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 -2.12 3.44 0.57 2.11 0.08 -1.26 -0.55 117.98 120.25 2bkj s PHE 97 Ca 0.34 1.34 0.28 0.00 0.12 0.00 0.00 56.93 59.00 2bkj s PHE 97 Cb 0.20 -3.42 1.49 0.00 -0.57 0.00 0.00 43.02 40.72 2bkj s PHE 97 CO 0.38 -1.24 1.96 1.15 -0.10 0.00 0.00 175.22 177.36 2bkj h THR 98 N 4.28 0.50 -0.99 0.64 2.02 -0.86 -0.30 112.91 118.19 2bkj h THR 98 Ca -0.42 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.84 2bkj h THR 98 Cb 1.21 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 2bkj h THR 98 CO 0.79 0.00 0.63 -0.08 0.37 0.00 0.00 175.52 177.24 2bkj h GLU 99 N 0.00 1.06 0.00 6.66 4.57 -1.91 -1.22 114.58 123.74 2bkj h GLU 99 Ca 0.23 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 2bkj h GLU 99 Cb 1.08 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2bkj h GLU 99 CO -0.00 0.70 -0.53 -0.07 -1.18 0.00 0.00 179.01 177.93 2bkj h LEU 100 N 1.09 0.00 -0.36 1.64 3.38 -1.39 -1.61 115.31 118.05 2bkj h LEU 100 Ca 0.46 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.24 2bkj h LEU 100 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2bkj h LEU 100 CO -0.21 0.53 -0.71 0.74 0.09 0.00 0.00 178.44 178.88 2bkj h THR 101 N 0.00 1.34 -0.49 0.22 2.02 -1.34 -1.18 112.91 113.48 2bkj h THR 101 Ca -0.01 -2.03 -0.04 0.00 0.77 0.00 0.00 66.41 65.10 2bkj h THR 101 Cb 0.96 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 2bkj h THR 101 CO 0.07 0.62 0.14 -0.07 0.37 0.00 0.00 175.52 176.65 2bkj h LEU 102 N 0.37 0.73 -0.43 2.58 3.38 -0.97 -0.73 115.31 120.24 2bkj h LEU 102 Ca -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2bkj h LEU 102 Cb 1.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2bkj h LEU 102 CO 0.13 0.76 0.22 0.40 0.09 0.00 0.00 178.44 180.03 2bkj h ILE 103 N 0.66 1.17 -0.85 1.22 2.04 -1.21 0.30 117.51 120.85 2bkj h ILE 103 Ca 0.16 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2bkj h ILE 103 Cb 0.30 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2bkj h ILE 103 CO -0.00 0.19 0.56 1.23 0.00 0.00 0.00 178.15 180.12 2bkj h GLY 104 N 0.56 1.20 0.65 5.37 0.00 -0.93 0.30 103.07 110.21 2bkj h GLY 104 Ca 0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2bkj h GLY 104 CO -0.02 0.42 -0.05 0.00 0.00 0.00 0.00 176.54 176.89 2bkj h ALA 105 N 1.32 0.11 0.18 3.60 0.00 -0.82 -2.00 119.26 121.64 2bkj h ALA 105 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bkj h ALA 105 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2bkj h ALA 105 CO -0.08 -0.11 -0.08 0.28 0.00 0.00 0.00 179.25 179.26 2bkj h VAL 106 N -0.24 0.90 -0.11 0.00 2.07 -0.81 -2.46 116.25 115.60 2bkj h VAL 106 Ca 0.01 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2bkj h VAL 106 Cb 0.53 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2bkj h VAL 106 CO 0.01 0.08 0.03 0.44 0.02 0.00 0.00 177.57 178.16 2bkj h ASP 107 N -0.40 0.13 -0.22 0.57 5.19 -1.02 -1.90 116.42 118.77 2bkj h ASP 107 Ca -0.02 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.32 2bkj h ASP 107 Cb 0.31 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2bkj h ASP 107 CO 0.04 0.13 -0.10 0.28 -3.12 0.00 0.00 179.24 176.47 2bkj h SER 108 N 0.15 0.47 -0.71 6.45 0.02 -1.26 -1.74 113.55 116.94 2bkj h SER 108 Ca 0.04 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2bkj h SER 108 Cb 0.05 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2bkj h SER 108 CO -0.00 0.77 0.47 1.23 -1.14 0.00 0.00 176.83 178.16 2bkj h GLY 109 N 0.17 1.00 0.95 -3.77 0.00 -0.94 0.61 103.07 101.10 2bkj h GLY 109 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2bkj h GLY 109 CO 0.03 0.37 0.02 -2.22 0.00 0.00 0.00 176.54 174.74 2bkj h ILE 110 N 0.96 1.05 -0.16 2.60 2.04 -1.31 -1.77 117.51 120.92 2bkj h ILE 110 Ca 0.26 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2bkj h ILE 110 Cb -0.10 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2bkj h ILE 110 CO -0.06 0.04 0.06 -0.03 0.00 0.00 0.00 178.15 178.17 2bkj h MET 111 N -0.01 0.24 -0.80 2.37 4.05 -1.07 -2.85 114.93 116.87 2bkj h MET 111 Ca 0.01 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2bkj h MET 111 Cb 0.05 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 2bkj h MET 111 CO -0.00 0.33 0.52 0.00 0.23 0.00 0.00 176.91 177.99 2bkj h ALA 112 N 0.90 1.51 -0.11 0.39 0.00 -0.84 -1.73 119.26 119.39 2bkj h ALA 112 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2bkj h ALA 112 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2bkj h ALA 112 CO -0.00 0.41 -0.33 0.37 0.00 0.00 0.00 179.25 179.70 2bkj h GLN 113 N 0.99 0.21 -0.45 0.00 5.75 -1.19 -0.52 115.11 119.90 2bkj h GLN 113 Ca 0.31 -0.08 -0.13 0.00 -0.15 0.00 0.00 58.65 58.61 2bkj h GLN 113 Cb 0.03 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2bkj h GLN 113 CO -0.09 0.52 -0.21 -0.91 -2.65 0.00 0.00 178.83 175.49 2bkj h ASN 114 N 0.18 0.96 -0.27 -0.69 4.21 -1.11 -1.13 115.58 117.73 2bkj h ASN 114 Ca 0.02 -0.40 -0.02 0.00 1.21 0.00 0.00 56.30 57.11 2bkj h ASN 114 Cb 0.68 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2bkj h ASN 114 CO 0.05 1.15 0.10 0.00 -1.29 0.00 0.00 177.43 177.44 2bkj h LEU 116 N 0.28 0.45 -0.88 0.00 5.85 -1.03 -1.66 115.31 118.32 2bkj h LEU 116 Ca 0.09 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2bkj h LEU 116 Cb 0.21 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2bkj h LEU 116 CO -0.01 0.49 0.33 -0.07 -0.34 0.00 0.00 178.44 178.85 2bkj h LEU 117 N 0.39 1.05 -0.50 2.25 3.38 -1.16 0.59 115.31 121.31 2bkj h LEU 117 Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2bkj h LEU 117 Cb 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2bkj h LEU 117 CO -0.01 0.92 0.27 0.00 0.09 0.00 0.00 178.44 179.71 2bkj h ALA 118 N 1.24 0.65 -0.16 1.53 0.00 -1.07 -0.64 119.26 120.81 2bkj h ALA 118 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2bkj h ALA 118 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bkj h ALA 118 CO -0.03 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.45 2bkj h ALA 119 N 1.11 0.20 -0.41 0.00 0.00 -0.85 -2.99 119.26 116.33 2bkj h ALA 119 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bkj h ALA 119 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bkj h ALA 119 CO -0.03 -0.19 0.18 0.93 0.00 0.00 0.00 179.25 180.14 2bkj h GLU 120 N 0.08 0.57 0.00 0.00 5.08 -0.67 -1.33 114.58 118.32 2bkj h GLU 120 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bkj h GLU 120 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2bkj h GLU 120 CO -0.00 0.46 0.00 0.66 -1.00 0.00 0.00 179.01 179.13 2bkj h SER 121 N 0.57 0.00 -0.16 1.42 4.64 -0.98 -1.83 113.55 117.21 2bkj h SER 121 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2bkj h SER 121 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2bkj h SER 121 CO -0.02 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 2bkj n MET 122 N -2.89 2.02 -0.39 4.77 2.81 -0.58 -4.92 117.12 117.94 2bkj n MET 122 Ca 0.01 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.39 2bkj n MET 122 Cb 0.26 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.27 0.73 3.90 3.03 0.00 -0.69 -5.07 105.19 108.36 2bkj n GLY 123 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 3.20 0.33 0.99 1.43 -0.73 -4.64 118.68 119.26 2bkj s LEU 124 Ca 0.00 0.99 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2bkj s LEU 124 Cb 0.00 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.29 2bkj s LEU 124 CO 0.00 -1.04 -0.10 -0.83 0.23 0.00 0.00 176.35 174.61 2bkj s GLY 125 N -4.27 2.13 0.14 -3.19 0.00 0.13 -3.91 107.32 98.34 2bkj s GLY 125 Ca 0.54 -2.05 -0.25 0.00 0.00 0.00 0.00 44.72 42.97 2bkj s GLY 125 CO 0.48 -2.01 1.06 -0.32 0.00 0.00 0.00 173.10 172.32 2bkj s GLY 126 N -3.58 -0.09 -0.27 0.20 0.00 -1.26 -1.67 107.32 100.65 2bkj s GLY 126 Ca 0.32 -0.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.78 2bkj s GLY 126 CO 0.16 1.43 0.77 0.54 0.00 0.00 0.00 173.10 176.00 2bkj s VAL 127 N -2.59 0.00 0.44 1.40 0.11 -0.93 -1.37 120.40 117.46 2bkj s VAL 127 Ca 0.18 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.01 2bkj s VAL 127 Cb -0.01 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.75 2bkj s VAL 127 CO 0.03 0.00 1.05 -0.31 -3.33 0.00 0.00 175.10 172.54 2bkj s TYR 128 N 0.52 3.14 -0.43 1.54 1.51 -1.26 -1.33 117.35 121.04 2bkj s TYR 128 Ca -0.01 1.61 0.03 0.00 -1.01 0.00 0.00 57.07 57.69 2bkj s TYR 128 Cb -0.05 -3.11 0.12 0.00 -0.11 0.00 0.00 41.96 38.81 2bkj s TYR 128 CO -0.03 -0.74 0.19 0.42 -1.11 0.00 0.00 175.55 174.28 2bkj s ILE 129 N -1.79 1.85 -1.26 2.71 -1.09 0.43 -4.92 121.20 117.12 2bkj s ILE 129 Ca 0.62 -2.58 0.27 0.00 -2.23 0.00 0.00 60.65 56.73 2bkj s ILE 129 Cb -0.20 -2.32 0.17 0.00 -1.58 0.00 0.00 42.46 38.54 2bkj s ILE 129 CO 0.24 -0.78 1.60 0.61 -1.23 0.00 0.00 174.94 175.39 2bkj n GLY 130 N 3.74 -1.11 0.32 6.18 0.00 -1.26 -0.51 105.19 112.55 2bkj n GLY 130 Ca 0.05 -0.31 0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 4.98 0.00 1.66 -0.02 0.00 -1.92 -2.37 103.07 105.41 2bkj h GLY 131 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2bkj h GLY 131 CO 0.00 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.07 2bkj h LEU 132 N 0.00 0.00 -2.06 3.11 3.38 -1.73 -2.20 115.31 115.82 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 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bkj h LEU 132 CO 0.00 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.54 2bkj h ARG 133 N 0.00 0.00 0.00 1.13 3.08 -1.69 -2.13 114.38 114.77 2bkj h ARG 133 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2bkj h ARG 133 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2bkj h ARG 133 CO -0.00 0.02 -0.18 -0.97 -1.07 0.00 0.00 179.97 177.77 2bkj h ASN 134 N 0.00 0.00 -0.95 7.04 -1.24 -1.61 -2.96 115.58 115.86 2bkj h ASN 134 Ca -0.00 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 56.51 2bkj h ASN 134 Cb 0.31 0.00 -0.42 0.00 0.73 0.00 0.00 38.32 38.94 2bkj h ASN 134 CO 0.00 0.18 -0.87 -1.20 -1.29 0.00 0.00 177.43 174.25 2bkj n SER 135 N -3.30 4.10 -0.06 1.15 7.64 -0.83 -4.93 113.62 117.39 2bkj n SER 135 Ca 0.01 -3.41 -0.08 0.00 1.01 0.00 0.00 58.87 56.39 2bkj n SER 135 Cb 0.43 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 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 2.43 -0.18 -0.97 -0.43 0.00 -1.30 -1.42 119.26 117.40 2bkj h ALA 136 Ca 0.24 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2bkj h ALA 136 Cb 1.29 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 2bkj h ALA 136 CO 0.68 -0.70 0.63 0.00 0.00 0.00 0.00 179.25 179.86 2bkj h ALA 137 N 0.73 1.30 -0.29 0.00 0.00 -1.89 0.82 119.26 119.93 2bkj h ALA 137 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2bkj h ALA 137 Cb 0.49 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bkj h ALA 137 CO -0.42 0.49 -0.32 1.96 0.00 0.00 0.00 179.25 180.97 2bkj h GLN 138 N 1.21 0.72 -0.56 0.00 7.50 -1.88 -2.26 115.11 119.84 2bkj h GLN 138 Ca 0.39 -0.39 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 2bkj h GLN 138 Cb 0.04 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 2bkj h GLN 138 CO -0.13 1.01 -0.04 0.28 -1.50 0.00 0.00 178.83 178.45 2bkj h VAL 139 N 0.46 1.26 -0.36 -0.54 2.07 -0.98 -1.55 116.25 116.61 2bkj h VAL 139 Ca 0.04 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2bkj h VAL 139 Cb 0.89 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2bkj h VAL 139 CO 0.08 0.42 0.23 -0.78 0.02 0.00 0.00 177.57 177.54 2bkj h ASP 140 N 0.91 0.42 -0.46 0.57 1.82 -0.79 -2.19 116.42 116.69 2bkj h ASP 140 Ca 0.16 -0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.65 2bkj h ASP 140 Cb 0.58 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 2bkj h ASP 140 CO 0.03 0.31 -0.23 -0.33 -1.61 0.00 0.00 179.24 177.42 2bkj h GLU 141 N 0.48 0.97 -0.97 0.28 4.39 -1.30 -1.70 114.58 116.73 2bkj h GLU 141 Ca 0.13 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 59.43 2bkj h GLU 141 Cb -0.04 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 2bkj h GLU 141 CO -0.03 1.09 0.64 1.25 -1.16 0.00 0.00 179.01 180.81 2bkj h LEU 142 N 0.82 1.08 -0.77 1.33 5.85 -1.05 -1.45 115.31 121.11 2bkj h LEU 142 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2bkj h LEU 142 Cb 0.81 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2bkj h LEU 142 CO 0.07 0.75 -0.07 0.18 -0.34 0.00 0.00 178.44 179.03 2bkj n LEU 143 N -4.42 1.27 -3.16 2.25 4.77 -0.84 -4.96 117.00 111.91 2bkj n LEU 143 Ca 0.13 -0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 2bkj n LEU 143 Cb 0.07 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2bkj n LEU 143 CO 0.35 0.22 0.17 0.61 -1.33 0.00 0.00 177.39 177.41 2bkj n GLY 144 N 1.21 -0.41 3.70 -0.72 0.00 -0.55 -4.95 105.19 103.48 2bkj n GLY 144 Ca 0.17 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.55 4.34 0.00 0.99 1.43 -0.69 -5.02 118.68 113.18 2bkj s LEU 145 Ca 0.47 2.21 -0.08 0.00 -1.03 0.00 0.00 54.13 55.70 2bkj s LEU 145 Cb -0.21 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.55 2bkj s LEU 145 CO 0.58 -0.68 0.56 -0.81 0.23 0.00 0.00 176.35 176.22 2bkj n PRO 146 N 4.72 -0.95 -1.73 1.29 -0.04 -1.26 -4.89 135.00 132.14 2bkj n PRO 146 Ca 0.12 -0.87 -0.34 0.00 -0.04 0.00 0.00 63.50 62.38 2bkj n PRO 146 Cb 0.43 -0.63 0.06 0.00 -0.04 0.00 0.00 33.50 33.31 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 -4.23 2.65 -1.25 0.54 1.03 -1.26 -3.09 118.70 113.09 2bkj s GLU 147 Ca 0.33 1.61 0.00 0.00 0.03 0.00 0.00 54.97 56.93 2bkj s GLU 147 Cb -0.01 -1.91 0.00 0.00 -0.80 0.00 0.00 34.13 31.40 2bkj s GLU 147 CO 0.23 -1.41 0.00 0.09 -1.33 0.00 0.00 175.26 172.84 2bkj n ASN 148 N -2.29 -4.36 -3.94 0.83 3.02 0.75 -4.37 115.26 104.89 2bkj n ASN 148 Ca 0.12 0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.80 2bkj n ASN 148 Cb 0.51 -3.03 -0.13 0.00 -0.61 0.00 0.00 39.78 36.52 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 -2.81 0.32 0.00 6.41 0.15 -1.18 -0.92 113.70 115.68 2bkj s SER 149 Ca 0.00 -0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 2bkj s SER 149 Cb 0.00 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 2bkj s SER 149 CO 0.00 -0.09 0.37 0.00 1.20 0.00 0.00 173.24 174.73 2bkj s ALA 150 N -0.57 -0.92 0.18 5.45 0.00 -0.92 -4.81 121.76 120.16 2bkj s ALA 150 Ca -0.05 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.06 2bkj s ALA 150 Cb -0.04 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 2bkj s ALA 150 CO -0.00 -0.34 0.74 0.54 0.00 0.00 0.00 175.76 176.70 2bkj s VAL 151 N -1.75 4.46 -0.03 0.00 0.11 -1.26 -0.73 120.40 121.20 2bkj s VAL 151 Ca -0.10 1.53 -0.02 0.00 -2.93 0.00 0.00 61.98 60.46 2bkj s VAL 151 Cb -0.03 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2bkj s VAL 151 CO 0.02 0.42 -0.04 0.18 -3.33 0.00 0.00 175.10 172.36 2bkj n LEU 152 N 1.32 0.26 -3.57 2.54 4.77 -0.86 -4.92 117.00 116.54 2bkj n LEU 152 Ca -0.05 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2bkj n LEU 152 Cb 0.50 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2bkj n LEU 152 CO 0.45 0.03 0.78 0.72 -1.33 0.00 0.00 177.39 178.04 2bkj s PHE 153 N -2.06 -0.25 0.47 -1.77 -0.12 -1.20 -4.66 117.98 108.39 2bkj s PHE 153 Ca -0.04 0.11 0.04 0.00 -0.05 0.00 0.00 56.93 56.98 2bkj s PHE 153 Cb 0.02 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.99 2bkj s PHE 153 CO 0.05 -0.50 0.30 0.41 -0.05 0.00 0.00 175.22 175.44 2bkj n GLY 154 N -0.26 2.90 3.43 1.99 0.00 0.34 -0.54 105.19 113.05 2bkj n GLY 154 Ca -0.06 -2.29 -0.07 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.89 0.47 -0.03 1.61 1.75 0.76 -0.43 119.30 119.54 2bkj s MET 155 Ca 0.23 1.11 -0.17 0.00 -1.25 0.00 0.00 55.69 55.61 2bkj s MET 155 Cb -0.02 0.34 -0.05 0.00 2.84 0.00 0.00 34.83 37.94 2bkj s MET 155 CO 0.15 -0.20 0.48 0.00 -0.65 0.00 0.00 175.02 174.80 2bkj s LEU 157 N -0.43 2.04 0.00 0.00 1.43 -0.38 -2.18 118.68 119.16 2bkj s LEU 157 Ca 0.26 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2bkj s LEU 157 Cb -0.17 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2bkj s LEU 157 CO 0.14 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2bkj n GLY 158 N 2.75 -0.50 3.71 -3.19 0.00 -0.67 -1.36 105.19 105.93 2bkj n GLY 158 Ca -0.14 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 3.53 0.41 1.61 3.76 -1.26 0.19 115.29 121.53 2bkj s HIS 159 Ca 0.00 1.50 -0.27 0.00 -0.15 0.00 0.00 55.06 56.14 2bkj s HIS 159 Cb 0.00 -3.26 -0.10 0.00 1.11 0.00 0.00 32.58 30.33 2bkj s HIS 159 CO 0.00 -0.61 1.45 -2.14 -0.85 0.00 0.00 174.74 172.59 2bkj s PRO 160 N 1.21 3.90 -0.10 8.40 0.02 -1.26 -1.66 135.00 145.50 2bkj s PRO 160 Ca 0.55 2.49 0.17 0.00 0.02 0.00 0.00 61.00 64.22 2bkj s PRO 160 Cb -0.24 -2.81 0.37 0.00 0.02 0.00 0.00 34.50 31.84 2bkj s PRO 160 CO 0.27 -0.67 1.17 -3.47 -0.33 0.00 0.00 177.00 173.97 2bkj n ASP 161 N 0.13 1.32 -3.48 2.53 2.03 0.28 -4.60 116.55 114.76 2bkj n ASP 161 Ca 0.03 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.36 2bkj n ASP 161 Cb 0.41 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.59 0.97 -0.46 -0.67 -2.07 -1.26 -4.86 119.66 109.72 2bkj s GLN 162 Ca 0.32 -0.27 0.05 0.00 -1.82 0.00 0.00 55.36 53.64 2bkj s GLN 162 Cb 0.33 0.45 0.19 0.00 -1.09 0.00 0.00 33.01 32.89 2bkj s GLN 162 CO -0.09 -0.40 0.41 -1.71 -1.32 0.00 0.00 175.29 172.17 2bkj n ASN 163 N -0.10 0.33 -4.76 12.60 5.15 -1.26 -5.03 115.26 122.20 2bkj n ASN 163 Ca -0.12 -2.60 -0.32 0.00 -0.60 0.00 0.00 54.58 50.94 2bkj n ASN 163 Cb 0.62 -0.60 0.07 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.49 2.49 0.45 1.20 0.02 -1.26 -5.03 135.00 132.38 2bkj s PRO 164 Ca 0.32 1.34 -0.14 0.00 0.02 0.00 0.00 61.00 62.54 2bkj s PRO 164 Cb 0.05 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 2bkj s PRO 164 CO -0.17 -1.49 0.88 -1.83 -0.33 0.00 0.00 177.00 174.06 2bkj s GLU 165 N -4.40 3.90 0.05 5.54 1.03 -1.26 -5.00 118.70 118.57 2bkj s GLU 165 Ca 0.65 0.75 -0.31 0.00 0.03 0.00 0.00 54.97 56.10 2bkj s GLU 165 Cb -0.20 -2.26 -0.07 0.00 -0.80 0.00 0.00 34.13 30.80 2bkj s GLU 165 CO 0.48 -0.13 1.50 0.08 -1.33 0.00 0.00 175.26 175.86 2bkj s VAL 166 N -2.44 3.34 -0.02 1.83 1.01 -1.26 -4.98 120.40 117.87 2bkj s VAL 166 Ca 0.56 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 2bkj s VAL 166 Cb -0.10 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2bkj s VAL 166 CO 0.29 0.01 1.02 -0.54 0.00 0.00 0.00 175.10 175.88 2bkj s LYS 167 N 2.21 4.50 0.44 2.72 1.02 -1.26 -5.04 119.74 124.33 2bkj s LYS 167 Ca 0.68 1.47 -0.23 0.00 0.02 0.00 0.00 55.97 57.91 2bkj s LYS 167 Cb -0.36 -3.47 -0.08 0.00 -0.52 0.00 0.00 37.83 33.39 2bkj s LYS 167 CO 0.29 -0.16 1.09 -1.25 -0.92 0.00 0.00 175.35 174.40 2bkj s PRO 168 N 1.34 3.93 0.43 -1.68 0.04 -1.26 -5.06 135.00 132.75 2bkj s PRO 168 Ca 0.52 1.59 0.07 0.00 0.04 0.00 0.00 61.00 63.22 2bkj s PRO 168 Cb -0.21 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 2bkj s PRO 168 CO 0.25 -0.36 0.30 1.03 0.04 0.00 0.00 177.00 178.26 2bkj s ARG 169 N -2.70 2.38 0.49 4.56 3.00 -1.26 -5.03 118.95 120.38 2bkj s ARG 169 Ca 0.62 -1.72 -0.24 0.00 0.00 0.00 0.00 55.73 54.39 2bkj s ARG 169 Cb -0.24 -2.19 -0.07 0.00 0.00 0.00 0.00 34.95 32.46 2bkj s ARG 169 CO 0.29 -0.21 1.40 -0.51 0.00 0.00 0.00 175.30 176.27 2bkj s LEU 170 N -4.06 4.01 0.71 2.53 1.43 -1.26 -4.93 118.68 117.11 2bkj s LEU 170 Ca 0.44 2.86 -0.16 0.00 -1.03 0.00 0.00 54.13 56.24 2bkj s LEU 170 Cb -0.00 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.17 2bkj s LEU 170 CO 0.25 -1.34 1.22 -2.16 0.23 0.00 0.00 176.35 174.55 2bkj s PRO 171 N -2.64 2.27 0.42 1.29 0.04 -1.26 -4.84 135.00 130.28 2bkj s PRO 171 Ca 0.65 1.82 0.15 0.00 0.04 0.00 0.00 61.00 63.66 2bkj s PRO 171 Cb -0.42 -1.84 1.02 0.00 0.04 0.00 0.00 34.50 33.29 2bkj s PRO 171 CO 0.53 -1.75 1.92 0.00 0.04 0.00 0.00 177.00 177.73 2bkj h ALA 172 N -0.06 2.07 0.00 8.56 0.00 -1.98 -1.62 119.26 126.23 2bkj h ALA 172 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2bkj h ALA 172 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bkj h ALA 172 CO 0.51 -0.27 0.00 1.12 0.00 0.00 0.00 179.25 180.60 2bkj h HIS 173 N 0.45 0.00 0.10 0.00 2.07 -1.91 0.58 115.15 116.44 2bkj h HIS 173 Ca 0.37 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.56 2bkj h HIS 173 Cb 0.81 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.77 2bkj h HIS 173 CO -0.00 0.00 -1.81 0.28 -3.07 0.00 0.00 177.93 173.33 2bkj h VAL 174 N 0.00 0.72 0.09 6.12 2.07 -1.66 -3.40 116.25 120.19 2bkj h VAL 174 Ca 0.00 -2.32 -0.27 0.00 0.82 0.00 0.00 66.70 64.93 2bkj h VAL 174 Cb 0.38 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2bkj h VAL 174 CO 0.00 0.77 -1.15 0.58 0.02 0.00 0.00 177.57 177.79 2bkj h VAL 175 N -0.17 1.39 -3.37 2.57 2.07 -1.38 -3.45 116.25 113.92 2bkj h VAL 175 Ca -0.40 -2.65 -0.60 0.00 0.82 0.00 0.00 66.70 63.87 2bkj h VAL 175 Cb 1.88 2.69 -0.11 0.00 -1.52 0.00 0.00 31.29 34.22 2bkj h VAL 175 CO 0.03 0.79 -0.33 -0.69 0.02 0.00 0.00 177.57 177.39 2bkj s VAL 176 N -2.97 5.30 -0.05 2.57 1.01 0.18 -5.09 120.40 121.35 2bkj s VAL 176 Ca -0.06 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2bkj s VAL 176 Cb 0.07 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2bkj s VAL 176 CO 0.90 0.36 -0.12 -1.00 0.00 0.00 0.00 175.10 175.23 2bkj s HIS 177 N 0.71 2.76 -0.41 5.22 0.09 -1.26 -4.71 115.29 117.70 2bkj s HIS 177 Ca 0.15 -0.11 -0.17 0.00 -0.00 0.00 0.00 55.06 54.93 2bkj s HIS 177 Cb -0.13 -1.64 0.02 0.00 -0.00 0.00 0.00 32.58 30.82 2bkj s HIS 177 CO 0.04 0.23 0.46 -1.21 -0.00 0.00 0.00 174.74 174.26 2bkj s GLU 178 N -0.79 3.22 0.00 1.40 0.41 -1.26 -4.68 118.70 117.00 2bkj s GLU 178 Ca 0.12 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.05 2bkj s GLU 178 Cb -0.11 -3.93 0.00 0.00 -1.78 0.00 0.00 34.13 28.31 2bkj s GLU 178 CO 0.01 -0.81 0.00 0.09 -0.49 0.00 0.00 175.26 174.06 2bkj n ASN 179 N 5.66 0.00 -3.92 -0.19 3.02 -1.26 -4.78 115.26 113.79 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 0.48 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.46 0.08 3.52 -1.52 -1.26 -5.12 119.66 115.81 2bkj s GLN 180 Ca 0.00 -0.54 -0.31 0.00 -1.95 0.00 0.00 55.36 52.56 2bkj s GLN 180 Cb 0.00 0.18 -0.08 0.00 -0.22 0.00 0.00 33.01 32.89 2bkj s GLN 180 CO 0.00 -0.10 1.60 -0.47 -0.25 0.00 0.00 175.29 176.06 2bkj s TYR 181 N -1.69 2.61 -0.00 0.91 6.14 -1.26 -4.84 117.35 119.23 2bkj s TYR 181 Ca -0.13 0.46 -0.02 0.00 0.64 0.00 0.00 57.07 58.02 2bkj s TYR 181 Cb -0.07 -3.91 -0.04 0.00 0.42 0.00 0.00 41.96 38.37 2bkj s TYR 181 CO -0.00 -3.55 0.18 1.14 0.64 0.00 0.00 175.55 173.96 2bkj s GLN 182 N 2.30 3.43 0.41 4.97 1.03 -1.26 -5.08 119.66 125.45 2bkj s GLN 182 Ca 0.72 -0.34 -0.26 0.00 0.04 0.00 0.00 55.36 55.51 2bkj s GLN 182 Cb -0.39 -3.08 -0.09 0.00 0.03 0.00 0.00 33.01 29.48 2bkj s GLN 182 CO 0.31 0.67 1.30 -2.00 -2.54 0.00 0.00 175.29 173.02 2bkj s GLU 183 N -2.00 3.97 0.21 9.60 2.12 -1.26 -4.97 118.70 126.37 2bkj s GLU 183 Ca 0.28 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.45 2bkj s GLU 183 Cb -0.13 -2.75 -0.09 0.00 0.26 0.00 0.00 34.13 31.43 2bkj s GLU 183 CO 0.20 -0.49 1.25 -1.17 -0.54 0.00 0.00 175.26 174.51 2bkj s LEU 184 N -2.44 4.44 -0.42 2.70 2.96 -1.26 -5.00 118.68 119.66 2bkj s LEU 184 Ca 0.57 2.36 -0.14 0.00 -0.22 0.00 0.00 54.13 56.70 2bkj s LEU 184 Cb -0.38 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.73 2bkj s LEU 184 CO 0.48 -0.44 0.30 0.21 -1.32 0.00 0.00 176.35 175.58 2bkj s ASN 185 N 0.09 6.06 0.66 3.68 3.84 -1.26 -4.95 114.94 123.06 2bkj s ASN 185 Ca 0.54 -1.00 0.41 0.00 0.21 0.00 0.00 52.86 53.01 2bkj s ASN 185 Cb -0.35 -2.14 2.22 0.00 -0.55 0.00 0.00 41.25 40.42 2bkj s ASN 185 CO 0.39 -0.48 2.25 -0.07 -2.79 0.00 0.00 177.10 176.40 2bkj h LEU 186 N 8.62 0.00 -1.29 3.21 3.38 -2.01 -1.04 115.31 126.18 2bkj h LEU 186 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2bkj h LEU 186 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2bkj h LEU 186 CO 0.75 0.00 -0.35 0.44 0.09 0.00 0.00 178.44 179.36 2bkj h ASP 187 N 0.00 0.00 0.11 -0.43 3.32 -2.00 -1.93 116.42 115.50 2bkj h ASP 187 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2bkj h ASP 187 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2bkj h ASP 187 CO 0.00 0.35 -0.56 0.44 -1.72 0.00 0.00 179.24 177.75 2bkj h ASP 188 N 0.00 0.53 -0.35 6.45 3.32 -1.61 -2.30 116.42 122.46 2bkj h ASP 188 Ca -0.00 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.64 2bkj h ASP 188 Cb 0.64 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2bkj h ASP 188 CO 0.05 0.98 -0.25 0.40 -1.72 0.00 0.00 179.24 178.70 2bkj h ILE 189 N 0.36 1.29 -0.74 0.35 1.08 -1.51 -1.96 117.51 116.37 2bkj h ILE 189 Ca 0.00 -1.40 -0.02 0.00 -0.39 0.00 0.00 64.86 63.06 2bkj h ILE 189 Cb 1.09 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 2bkj h ILE 189 CO 0.10 0.46 0.39 1.56 -0.69 0.00 0.00 178.15 179.97 2bkj h GLN 190 N 0.58 1.05 -0.45 2.37 7.50 -1.31 0.65 115.11 125.50 2bkj h GLN 190 Ca 0.07 -0.14 -0.07 0.00 0.50 0.00 0.00 58.65 59.01 2bkj h GLN 190 Cb 0.81 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.12 2bkj h GLN 190 CO 0.07 0.80 -0.01 0.77 -1.50 0.00 0.00 178.83 178.95 2bkj h SER 191 N 1.03 0.72 -0.31 1.46 0.02 -1.33 -1.94 113.55 113.20 2bkj h SER 191 Ca 0.26 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2bkj h SER 191 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2bkj h SER 191 CO -0.04 0.80 -0.19 0.22 -1.14 0.00 0.00 176.83 176.48 2bkj h TYR 192 N 0.70 0.79 -0.94 3.45 3.20 -0.68 -1.87 116.97 121.62 2bkj h TYR 192 Ca 0.14 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 61.85 2bkj h TYR 192 Cb 0.45 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 2bkj h TYR 192 CO 0.02 0.92 0.61 -0.44 -1.64 0.00 0.00 178.16 177.63 2bkj h ASP 193 N 0.44 1.00 -0.48 -2.11 3.32 -0.63 0.12 116.42 118.09 2bkj h ASP 193 Ca 0.07 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 2bkj h ASP 193 Cb 0.73 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2bkj h ASP 193 CO 0.05 0.67 -0.04 1.56 -1.72 0.00 0.00 179.24 179.77 2bkj h GLN 194 N 1.16 0.92 -0.58 3.56 7.50 -1.23 -0.65 115.11 125.78 2bkj h GLN 194 Ca 0.39 -0.29 -0.09 0.00 0.50 0.00 0.00 58.65 59.16 2bkj h GLN 194 Cb 0.06 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 2bkj h GLN 194 CO -0.14 0.93 0.00 1.15 -1.50 0.00 0.00 178.83 179.28 2bkj h THR 195 N 0.84 1.27 -0.01 -0.54 2.02 -0.40 -2.56 112.91 113.52 2bkj h THR 195 Ca 0.15 -1.13 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 2bkj h THR 195 Cb 0.55 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2bkj h THR 195 CO 0.03 0.41 -0.63 0.24 0.37 0.00 0.00 175.52 175.94 2bkj h MET 196 N 0.92 0.05 -0.51 6.66 2.07 -0.59 -2.82 114.93 120.72 2bkj h MET 196 Ca 0.17 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.70 2bkj h MET 196 Cb 0.55 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.26 2bkj h MET 196 CO 0.03 0.67 0.10 1.96 1.07 0.00 0.00 176.91 180.74 2bkj h GLN 197 N 0.04 0.83 -0.30 1.72 4.20 -0.92 -1.74 115.11 118.94 2bkj h GLN 197 Ca -0.01 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 2bkj h GLN 197 Cb 1.13 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2bkj h GLN 197 CO 0.09 0.81 0.01 0.00 -0.67 0.00 0.00 178.83 179.07 2bkj h ALA 198 N 0.98 1.48 -0.10 3.87 0.00 -1.39 -2.56 119.26 121.55 2bkj h ALA 198 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2bkj h ALA 198 Cb 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bkj h ALA 198 CO 0.01 0.38 0.00 -0.92 0.00 0.00 0.00 179.25 178.71 2bkj h TYR 199 N 0.43 0.19 0.00 0.00 3.20 -1.20 -3.52 116.97 116.07 2bkj h TYR 199 Ca 0.10 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2bkj h TYR 199 Cb 0.27 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2bkj h TYR 199 CO 0.01 0.42 0.00 0.66 -1.64 0.00 0.00 178.16 177.61 2bkj n TYR 200 N -4.82 0.00 0.00 -3.82 4.01 -0.69 -5.12 117.16 106.72 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 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 -4.90 7.72 2.88 -1.26 -5.08 113.62 112.99 2bkj n SER 210 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2bkj n SER 210 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 3.00 0.09 2.46 -4.23 -1.26 -4.89 115.64 110.81 2bkj s THR 211 Ca 0.00 0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 2bkj s THR 211 Cb 0.00 -3.30 -0.14 0.00 1.34 0.00 0.00 72.50 70.40 2bkj s THR 211 CO 0.00 -0.38 1.63 -0.25 -0.54 0.00 0.00 174.62 175.08 2bkj h TRP 212 N -0.68 -0.78 -0.98 3.99 7.01 -1.94 -0.92 115.95 121.65 2bkj h TRP 212 Ca -0.45 0.00 0.10 0.00 2.11 0.00 0.00 58.89 60.65 2bkj h TRP 212 Cb 1.28 0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 28.56 2bkj h TRP 212 CO 0.43 -0.43 0.61 0.66 -2.79 0.00 0.00 178.44 176.92 2bkj h SER 213 N -0.66 0.93 -0.42 2.65 4.64 -1.95 -0.53 113.55 118.21 2bkj h SER 213 Ca -0.03 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 2bkj h SER 213 Cb 0.58 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2bkj h SER 213 CO -0.02 0.53 -0.21 1.56 -0.87 0.00 0.00 176.83 177.82 2bkj h GLN 214 N 1.03 0.93 0.35 4.77 7.50 -1.91 -2.47 115.11 125.31 2bkj h GLN 214 Ca 0.46 -0.38 -0.02 0.00 0.50 0.00 0.00 58.65 59.21 2bkj h GLN 214 Cb 0.36 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2bkj h GLN 214 CO -0.23 1.04 -0.17 1.05 -1.50 0.00 0.00 178.83 179.02 2bkj h GLU 215 N 0.80 -0.46 -0.61 1.46 4.11 -0.17 -1.73 114.58 117.98 2bkj h GLU 215 Ca 0.11 0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.53 2bkj h GLU 215 Cb 0.77 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2bkj h GLU 215 CO 0.06 -0.14 0.25 -0.39 0.07 0.00 0.00 179.01 178.86 2bkj h VAL 216 N -0.84 1.23 0.00 -1.06 -1.51 -1.21 -2.18 116.25 110.68 2bkj h VAL 216 Ca -0.05 -0.71 -0.13 0.00 -1.23 0.00 0.00 66.70 64.58 2bkj h VAL 216 Cb 0.53 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.23 2bkj h VAL 216 CO 0.08 0.28 -0.62 0.71 -1.23 0.00 0.00 177.57 176.79 2bkj h THR 217 N 0.85 1.31 -0.34 7.19 1.35 -1.55 -2.64 112.91 119.08 2bkj h THR 217 Ca 0.20 -2.23 -0.11 0.00 -0.55 0.00 0.00 66.41 63.72 2bkj h THR 217 Cb 0.20 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2bkj h THR 217 CO -0.02 0.61 -0.26 1.23 -0.25 0.00 0.00 175.52 176.83 2bkj h GLY 218 N 2.26 0.74 1.08 5.82 0.00 -1.12 -1.33 103.07 110.52 2bkj h GLY 218 Ca -0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 2bkj h GLY 218 CO 0.08 0.59 -0.03 1.70 0.00 0.00 0.00 176.54 178.88 2bkj h LYS 219 N 0.59 1.05 0.00 4.80 3.64 -1.27 -2.85 116.57 122.53 2bkj h LYS 219 Ca 0.08 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2bkj h LYS 219 Cb 0.75 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2bkj h LYS 219 CO 0.06 1.04 0.00 1.28 -2.27 0.00 0.00 179.45 179.56 2bkj n LEU 220 N -4.19 0.58 0.27 5.20 4.77 -1.01 -3.24 117.00 119.39 2bkj n LEU 220 Ca 0.02 0.56 0.17 0.00 -0.03 0.00 0.00 56.01 56.73 2bkj n LEU 220 Cb 0.36 -0.38 0.65 0.00 -2.33 0.00 0.00 43.42 41.72 2bkj n LEU 220 CO 0.44 -0.15 0.98 0.00 -1.33 0.00 0.00 177.39 177.34 2bkj h ALA 221 N 2.64 1.00 -3.35 -1.18 0.00 -0.99 -3.44 119.26 113.93 2bkj h ALA 221 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bkj h ALA 221 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2bkj h ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2bkj n GLY 222 N 0.09 2.36 3.78 0.00 0.00 -1.20 -5.09 105.19 105.13 2bkj n GLY 222 Ca 0.01 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 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 1.12 4.55 -0.60 1.61 2.02 -1.26 -5.03 118.70 121.10 2bkj s GLU 223 Ca 0.00 1.23 -0.01 0.00 0.02 0.00 0.00 54.97 56.20 2bkj s GLU 223 Cb 0.00 -2.94 0.15 0.00 0.10 0.00 0.00 34.13 31.44 2bkj s GLU 223 CO 0.00 0.37 0.39 -1.12 0.02 0.00 0.00 175.26 174.93 2bkj s SER 224 N -1.51 5.07 -0.83 -0.19 0.01 -1.26 -4.87 113.70 110.12 2bkj s SER 224 Ca 0.46 -2.85 -0.00 0.00 1.31 0.00 0.00 55.95 54.86 2bkj s SER 224 Cb -0.20 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2bkj s SER 224 CO 0.25 -0.35 0.61 0.54 0.41 0.00 0.00 173.24 174.69 2bkj n ARG 225 N 3.46 -1.53 0.09 12.44 1.74 -1.26 -4.82 116.66 126.78 2bkj n ARG 225 Ca 0.07 0.77 0.06 0.00 -0.77 0.00 0.00 57.85 57.99 2bkj n ARG 225 Cb 0.37 -2.38 0.33 0.00 -1.02 0.00 0.00 32.46 29.76 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 -2.62 0.08 0.00 5.56 -0.04 -1.26 -2.24 135.00 134.48 2bkj n PRO 226 Ca -0.31 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2bkj n PRO 226 Cb 0.69 -1.75 0.51 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.92 0.00 0.09 0.54 1.44 -1.26 -4.31 115.22 109.80 2bkj n HIS 227 Ca -0.01 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.58 2bkj n HIS 227 Cb 0.03 -0.42 -0.06 0.00 0.12 0.00 0.00 29.99 29.66 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 0.01 0.75 -0.15 0.61 1.08 -1.80 -1.28 117.51 116.73 2bkj h ILE 228 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2bkj h ILE 228 Cb 0.50 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2bkj h ILE 228 CO 0.00 0.00 0.09 0.25 -0.69 0.00 0.00 178.15 177.80 2bkj h LEU 229 N -0.23 0.17 -1.35 1.44 5.85 -1.84 -0.63 115.31 118.72 2bkj h LEU 229 Ca 0.01 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2bkj h LEU 229 Cb 0.23 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2bkj h LEU 229 CO -0.04 0.15 0.49 -0.65 -0.34 0.00 0.00 178.44 178.04 2bkj h PRO 230 N 0.18 0.78 0.07 5.25 0.11 -1.79 -0.14 132.00 136.46 2bkj h PRO 230 Ca 0.05 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2bkj h PRO 230 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.94 2bkj h PRO 230 CO -0.01 0.51 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.34 2bkj h TYR 231 N 0.80 -0.08 -0.59 0.65 3.20 -0.73 -0.89 116.97 119.33 2bkj h TYR 231 Ca 0.32 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.22 2bkj h TYR 231 Cb 0.22 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2bkj h TYR 231 CO -0.00 0.16 0.34 -0.07 -1.64 0.00 0.00 178.16 176.95 2bkj h LEU 232 N -0.33 0.53 -1.13 2.82 3.38 -0.59 -2.00 115.31 117.99 2bkj h LEU 232 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2bkj h LEU 232 Cb 0.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2bkj h LEU 232 CO 0.02 0.36 0.37 0.78 0.09 0.00 0.00 178.44 180.05 2bkj h ASN 233 N 0.65 0.87 0.37 -0.43 -0.26 -0.87 0.11 115.58 116.02 2bkj h ASN 233 Ca 0.25 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 2bkj h ASN 233 Cb 0.09 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2bkj h ASN 233 CO -0.14 0.72 -0.09 0.77 -1.06 0.00 0.00 177.43 177.63 2bkj h SER 234 N 0.98 0.00 -0.29 5.81 4.64 -0.42 -0.13 113.55 124.14 2bkj h SER 234 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2bkj h SER 234 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2bkj h SER 234 CO -0.04 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 2bkj n LYS 235 N -3.56 2.19 -1.27 4.77 4.76 -0.64 -4.94 118.16 119.47 2bkj n LYS 235 Ca -0.02 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.63 2bkj n LYS 235 Cb 0.22 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 1.35 0.43 3.50 0.72 0.00 -0.06 -0.18 105.19 110.94 2bkj n GLY 236 Ca 0.18 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 2.72 -1.48 0.99 1.43 -0.07 -3.73 118.68 118.54 2bkj s LEU 237 Ca 0.00 -0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 2bkj s LEU 237 Cb 0.00 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 44.81 2bkj s LEU 237 CO 0.00 0.13 0.69 0.00 0.23 0.00 0.00 176.35 177.41 2bkj n ALA 238 N 0.34 -1.67 0.51 4.21 0.00 -1.10 -2.82 120.51 119.98 2bkj n ALA 238 Ca -0.13 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.35 2bkj n ALA 238 Cb 0.55 -2.76 0.12 0.00 0.00 0.00 0.00 19.45 17.36 2bkj n ALA 238 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bkj h LYS 239 N -1.84 0.00 0.00 0.00 1.57 -1.12 -3.46 116.57 111.72 2bkj h LYS 239 Ca -0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2bkj h LYS 239 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2bkj h LYS 239 CO 0.66 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 182.43