#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkj h ASN 3 N 0.00 0.55 -0.64 0.53 7.08 -2.06 -2.75 115.58 118.29 1bkj h ASN 3 Ca 0.00 -0.14 -0.06 0.00 -3.08 0.00 0.00 56.30 53.02 1bkj h ASN 3 Cb 0.00 -0.15 -0.03 0.00 -2.08 0.00 0.00 38.32 36.07 1bkj h ASN 3 CO 0.00 0.69 0.16 0.74 -2.08 0.00 0.00 177.43 176.94 1bkj h THR 4 N 0.53 1.26 -0.21 6.14 2.02 -2.03 -1.97 112.91 118.65 1bkj h THR 4 Ca 0.10 -0.93 -0.17 0.00 0.77 0.00 0.00 66.41 66.18 1bkj h THR 4 Cb 0.49 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1bkj h THR 4 CO 0.03 0.35 -0.55 0.40 0.37 0.00 0.00 175.52 176.12 1bkj h ILE 5 N 0.94 1.31 -0.46 3.11 2.04 -1.99 -2.03 117.51 120.43 1bkj h ILE 5 Ca 0.20 -1.79 -0.08 0.00 1.00 0.00 0.00 64.86 64.19 1bkj h ILE 5 Cb 0.36 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1bkj h ILE 5 CO 0.00 0.56 -0.04 -0.33 0.00 0.00 0.00 178.15 178.34 1bkj h GLU 6 N 0.48 0.79 -0.18 2.37 5.08 -1.33 -1.76 114.58 120.03 1bkj h GLU 6 Ca 0.01 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1bkj h GLU 6 Cb 1.11 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1bkj h GLU 6 CO 0.11 0.82 -0.20 1.15 -1.00 0.00 0.00 179.01 179.89 1bkj h THR 7 N 0.73 1.34 -0.09 1.13 2.02 -1.26 -2.52 112.91 114.26 1bkj h THR 7 Ca 0.13 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1bkj h THR 7 Cb 0.50 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1bkj h THR 7 CO 0.03 0.42 0.02 0.40 0.37 0.00 0.00 175.52 176.76 1bkj h ILE 8 N 0.10 0.97 0.00 3.11 2.04 -1.21 -2.89 117.51 119.63 1bkj h ILE 8 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1bkj h ILE 8 Cb 0.75 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1bkj h ILE 8 CO 0.05 0.01 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 1bkj h LEU 9 N 0.06 0.00 -1.22 1.44 3.38 -1.36 -3.09 115.31 114.53 1bkj h LEU 9 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bkj h LEU 9 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bkj h LEU 9 CO -0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1bkj n ALA 10 N -1.88 2.52 -1.77 1.53 0.00 -0.95 -4.96 120.51 115.00 1bkj n ALA 10 Ca 0.03 -0.56 -0.40 0.00 0.00 0.00 0.00 53.44 52.51 1bkj n ALA 10 Cb 0.31 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1bkj n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1bkj s HIS 11 N -1.80 2.95 -0.16 0.00 5.65 -1.17 -4.98 115.29 115.78 1bkj s HIS 11 Ca 0.33 1.43 -0.21 0.00 0.25 0.00 0.00 55.06 56.86 1bkj s HIS 11 Cb 0.18 -3.65 0.05 0.00 -1.18 0.00 0.00 32.58 27.99 1bkj s HIS 11 CO 0.28 -1.91 0.55 -0.98 -0.65 0.00 0.00 174.74 172.03 1bkj s ARG 12 N -2.04 0.72 0.10 2.88 3.03 -1.26 -4.71 118.95 117.67 1bkj s ARG 12 Ca 0.53 0.59 -0.31 0.00 2.03 0.00 0.00 55.73 58.57 1bkj s ARG 12 Cb -0.38 0.35 -0.07 0.00 -1.03 0.00 0.00 34.95 33.81 1bkj s ARG 12 CO 0.50 -0.13 1.31 -1.12 -1.13 0.00 0.00 175.30 174.73 1bkj s SER 13 N -0.12 6.93 -0.23 -2.89 0.01 -1.26 -4.73 113.70 111.40 1bkj s SER 13 Ca -0.03 2.21 -0.07 0.00 1.31 0.00 0.00 55.95 59.36 1bkj s SER 13 Cb -0.03 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1bkj s SER 13 CO 0.03 -0.57 0.07 -0.63 0.41 0.00 0.00 173.24 172.55 1bkj s ILE 14 N 1.03 4.47 -0.10 1.44 -1.09 -0.72 -4.90 121.20 121.34 1bkj s ILE 14 Ca 0.62 -0.12 0.14 0.00 -2.23 0.00 0.00 60.65 59.06 1bkj s ILE 14 Cb -0.34 -3.08 0.22 0.00 -1.58 0.00 0.00 42.46 37.69 1bkj s ILE 14 CO 0.30 0.36 1.11 0.54 -1.23 0.00 0.00 174.94 176.02 1bkj n ARG 15 N 4.60 1.57 -3.68 2.79 1.74 -1.26 -4.07 116.66 118.35 1bkj n ARG 15 Ca -0.16 -2.30 -0.16 0.00 -0.77 0.00 0.00 57.85 54.46 1bkj n ARG 15 Cb 0.52 -1.36 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 1bkj n ARG 15 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1bkj s LYS 16 N -2.39 0.06 0.17 5.56 -0.14 -1.26 -4.68 119.74 117.06 1bkj s LYS 16 Ca 0.24 0.56 0.09 0.00 -1.36 0.00 0.00 55.97 55.51 1bkj s LYS 16 Cb 0.21 -0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 36.09 1bkj s LYS 16 CO 0.02 -0.29 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.08 1bkj s PHE 17 N 2.16 1.91 0.72 3.18 0.08 -1.26 -0.81 117.98 123.96 1bkj s PHE 17 Ca 0.01 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 1bkj s PHE 17 Cb -0.12 -0.95 0.07 0.00 -0.57 0.00 0.00 43.02 41.46 1bkj s PHE 17 CO -0.06 0.37 1.03 0.95 -0.10 0.00 0.00 175.22 177.41 1bkj s THR 18 N -2.02 2.26 -2.13 0.64 -4.23 -0.66 -4.78 115.64 104.71 1bkj s THR 18 Ca 0.17 -0.28 0.25 0.00 -1.18 0.00 0.00 61.69 60.65 1bkj s THR 18 Cb -0.06 -2.98 0.63 0.00 1.34 0.00 0.00 72.50 71.44 1bkj s THR 18 CO 0.07 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.00 1bkj n ALA 19 N -2.95 2.61 -2.33 3.99 0.00 -1.26 -4.73 120.51 115.84 1bkj n ALA 19 Ca 0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1bkj n ALA 19 Cb 0.60 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1bkj n ALA 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bkj s VAL 20 N -1.96 4.02 0.78 0.00 1.01 -1.26 -5.02 120.40 117.97 1bkj s VAL 20 Ca 0.36 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 1bkj s VAL 20 Cb 0.18 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.76 1bkj s VAL 20 CO 0.29 -0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.29 1bkj s PRO 21 N 2.69 2.20 -0.17 2.72 0.04 -1.26 -4.54 135.00 136.69 1bkj s PRO 21 Ca 0.60 0.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1bkj s PRO 21 Cb -0.27 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1bkj s PRO 21 CO 0.23 -1.54 0.50 0.42 0.04 0.00 0.00 177.00 176.65 1bkj s ILE 22 N -3.18 5.14 0.85 0.56 1.01 -1.26 -4.99 121.20 119.33 1bkj s ILE 22 Ca 0.60 0.95 -0.11 0.00 0.00 0.00 0.00 60.65 62.09 1bkj s ILE 22 Cb -0.14 -3.83 0.10 0.00 0.01 0.00 0.00 42.46 38.61 1bkj s ILE 22 CO 0.54 0.24 1.10 0.42 0.00 0.00 0.00 174.94 177.23 1bkj s THR 23 N 1.22 2.88 0.37 2.92 -4.23 -1.26 -4.82 115.64 112.71 1bkj s THR 23 Ca 0.25 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1bkj s THR 23 Cb -0.15 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.18 1bkj s THR 23 CO 0.10 -0.37 1.94 0.44 -0.54 0.00 0.00 174.62 176.19 1bkj h ASP 24 N -1.43 0.45 -0.14 3.99 3.32 -1.99 -1.51 116.42 119.11 1bkj h ASP 24 Ca -0.47 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.39 1bkj h ASP 24 Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1bkj h ASP 24 CO 0.52 0.46 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.78 1bkj h GLU 25 N 0.48 0.67 -0.24 3.56 3.07 -2.00 -2.02 114.58 118.11 1bkj h GLU 25 Ca 0.11 -0.34 -0.20 0.00 -0.50 0.00 0.00 59.36 58.43 1bkj h GLU 25 Cb 0.20 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1bkj h GLU 25 CO -0.00 0.95 -0.63 1.96 -1.40 0.00 0.00 179.01 179.89 1bkj h GLN 26 N 0.55 0.85 -0.44 2.33 4.20 -1.83 -3.06 115.11 117.72 1bkj h GLN 26 Ca 0.05 -0.59 -0.13 0.00 0.06 0.00 0.00 58.65 58.03 1bkj h GLN 26 Cb 0.92 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1bkj h GLN 26 CO 0.08 1.22 -0.25 -0.09 -0.67 0.00 0.00 178.83 179.13 1bkj h ARG 27 N 0.62 0.95 -0.12 1.46 2.43 -1.24 -2.41 114.38 116.08 1bkj h ARG 27 Ca -0.01 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 1bkj h ARG 27 Cb 1.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1bkj h ARG 27 CO 0.14 1.09 -0.15 1.96 -1.51 0.00 0.00 179.97 181.49 1bkj h GLN 28 N 0.79 0.19 -0.13 0.20 4.20 -1.43 -1.95 115.11 116.98 1bkj h GLN 28 Ca 0.10 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 1bkj h GLN 28 Cb 0.83 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.59 1bkj h GLN 28 CO 0.07 0.35 -0.63 1.15 -0.67 0.00 0.00 178.83 179.10 1bkj h THR 29 N 0.18 1.32 -0.81 -0.54 2.02 -1.42 -1.07 112.91 112.59 1bkj h THR 29 Ca 0.04 -1.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 1bkj h THR 29 Cb 0.39 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1bkj h THR 29 CO 0.02 0.58 0.37 0.40 0.37 0.00 0.00 175.52 177.27 1bkj h ILE 30 N 0.32 1.25 -0.13 3.11 2.04 -1.05 -0.10 117.51 122.95 1bkj h ILE 30 Ca -0.04 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 1bkj h ILE 30 Cb 1.27 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1bkj h ILE 30 CO 0.13 0.31 -0.27 0.40 0.00 0.00 0.00 178.15 178.72 1bkj h ILE 31 N 1.16 1.37 0.00 -0.67 1.08 -1.36 -2.42 117.51 116.67 1bkj h ILE 31 Ca 0.28 -1.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.18 1bkj h ILE 31 Cb 0.14 2.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1bkj h ILE 31 CO -0.03 0.46 -0.11 1.56 -0.69 0.00 0.00 178.15 179.33 1bkj h GLN 32 N 0.02 0.00 -0.13 2.37 7.50 -0.90 -0.66 115.11 123.31 1bkj h GLN 32 Ca 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 58.94 1bkj h GLN 32 Cb 0.86 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.40 1bkj h GLN 32 CO 0.06 0.11 -0.77 0.00 -1.50 0.00 0.00 178.83 176.73 1bkj h ALA 33 N 1.89 0.38 -0.55 3.87 0.00 -0.94 -2.81 119.26 121.10 1bkj h ALA 33 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1bkj h ALA 33 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bkj h ALA 33 CO 0.01 0.71 0.10 0.78 0.00 0.00 0.00 179.25 180.85 1bkj h GLY 34 N 0.76 0.97 2.00 0.00 0.00 -0.69 -2.92 103.07 103.18 1bkj h GLY 34 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1bkj h GLY 34 CO 0.15 0.59 -0.24 1.41 0.00 0.00 0.00 176.54 178.45 1bkj h LEU 35 N 0.79 0.00 0.00 3.11 3.38 -1.15 -2.79 115.31 118.65 1bkj h LEU 35 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1bkj h LEU 35 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1bkj h LEU 35 CO 0.01 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1bkj n ALA 36 N -2.38 2.03 -1.75 1.53 0.00 -1.07 -4.82 120.51 114.06 1bkj n ALA 36 Ca -0.02 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 1bkj n ALA 36 Cb 0.33 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1bkj n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkj s ALA 37 N -2.54 2.67 0.68 0.00 0.00 -1.05 -5.00 121.76 116.52 1bkj s ALA 37 Ca 0.19 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 1bkj s ALA 37 Cb 0.13 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1bkj s ALA 37 CO 0.29 -0.82 1.26 -1.12 0.00 0.00 0.00 175.76 175.37 1bkj s SER 38 N -1.85 4.43 -0.05 0.00 0.01 -1.26 -5.02 113.70 109.97 1bkj s SER 38 Ca 0.72 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.51 1bkj s SER 38 Cb -0.24 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.41 1bkj s SER 38 CO 0.28 -2.11 -0.03 -0.55 0.41 0.00 0.00 173.24 171.24 1bkj s SER 39 N -1.63 1.04 -0.06 2.44 0.15 -1.26 -4.86 113.70 109.51 1bkj s SER 39 Ca 0.79 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 1bkj s SER 39 Cb -0.34 -0.43 -0.08 0.00 -1.71 0.00 0.00 66.02 63.46 1bkj s SER 39 CO 0.42 -0.09 2.03 -1.20 1.20 0.00 0.00 173.24 175.60 1bkj n SER 40 N 4.29 3.79 -1.69 5.45 7.64 -1.26 -2.10 113.62 129.73 1bkj n SER 40 Ca -0.21 0.72 -0.16 0.00 1.01 0.00 0.00 58.87 60.23 1bkj n SER 40 Cb 0.51 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.15 1bkj n SER 40 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bkj n SER 41 N 8.54 -4.27 -2.22 6.43 7.64 -1.26 -1.42 113.62 127.07 1bkj n SER 41 Ca 0.24 0.32 -0.17 0.00 1.01 0.00 0.00 58.87 60.26 1bkj n SER 41 Cb 0.40 -3.82 -0.02 0.00 -1.01 0.00 0.00 64.21 59.76 1bkj n SER 41 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1bkj n MET 42 N -2.24 -1.79 0.19 1.43 1.56 -0.89 -4.88 117.12 110.49 1bkj n MET 42 Ca -0.16 0.88 0.04 0.00 -0.27 0.00 0.00 57.70 58.19 1bkj n MET 42 Cb 0.55 -5.45 0.38 0.00 2.15 0.00 0.00 33.22 30.85 1bkj n MET 42 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1bkj h LEU 43 N 0.00 0.00 -3.25 -0.89 3.38 -1.48 -3.48 115.31 109.58 1bkj h LEU 43 Ca -0.40 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.26 1bkj h LEU 43 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1bkj h LEU 43 CO 0.50 0.36 -0.72 0.00 0.09 0.00 0.00 178.44 178.67 1bkj n GLN 44 N -3.85 -1.49 -0.75 1.13 6.02 -1.26 -4.92 117.38 112.26 1bkj n GLN 44 Ca -0.01 1.05 0.08 0.00 -0.01 0.00 0.00 57.00 58.10 1bkj n GLN 44 Cb 0.43 -3.52 0.38 0.00 1.02 0.00 0.00 30.24 28.55 1bkj n GLN 44 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1bkj n VAL 45 N -2.24 2.34 -4.52 5.09 0.24 -1.26 -4.95 118.33 113.02 1bkj n VAL 45 Ca -0.20 -1.35 -0.34 0.00 -2.04 0.00 0.00 64.34 60.41 1bkj n VAL 45 Cb 0.63 -0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.78 1bkj n VAL 45 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1bkj s VAL 46 N -2.37 3.80 0.01 3.34 1.01 -1.26 0.16 120.40 125.08 1bkj s VAL 46 Ca 0.52 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1bkj s VAL 46 Cb 0.37 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1bkj s VAL 46 CO 0.19 0.55 -0.20 -0.44 0.00 0.00 0.00 175.10 175.20 1bkj s SER 47 N -0.29 2.38 -0.13 3.32 0.01 -0.56 -4.89 113.70 113.54 1bkj s SER 47 Ca 0.04 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1bkj s SER 47 Cb -0.13 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 1bkj s SER 47 CO 0.02 0.21 -0.17 -0.63 0.41 0.00 0.00 173.24 173.09 1bkj s ILE 48 N -0.59 2.64 -0.31 1.44 1.01 -1.26 -1.05 121.20 123.08 1bkj s ILE 48 Ca 0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1bkj s ILE 48 Cb -0.08 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1bkj s ILE 48 CO 0.00 0.53 0.10 -0.69 0.00 0.00 0.00 174.94 174.88 1bkj s VAL 49 N 0.53 4.02 -0.19 2.92 1.01 -0.08 -4.92 120.40 123.69 1bkj s VAL 49 Ca -0.11 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1bkj s VAL 49 Cb -0.16 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1bkj s VAL 49 CO 0.04 0.01 0.79 -0.60 0.00 0.00 0.00 175.10 175.34 1bkj s ARG 50 N 1.49 4.26 -0.46 2.72 3.52 -1.26 -1.10 118.95 128.12 1bkj s ARG 50 Ca 0.02 0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 56.41 1bkj s ARG 50 Cb -0.18 -3.59 0.09 0.00 -1.56 0.00 0.00 34.95 29.71 1bkj s ARG 50 CO 0.03 -0.34 0.34 0.08 -0.81 0.00 0.00 175.30 174.60 1bkj s VAL 51 N 2.22 4.68 -0.06 7.11 1.01 -0.79 -4.89 120.40 129.68 1bkj s VAL 51 Ca 0.35 -1.35 0.20 0.00 0.00 0.00 0.00 61.98 61.19 1bkj s VAL 51 Cb -0.16 -3.88 -0.31 0.00 0.00 0.00 0.00 36.38 32.03 1bkj s VAL 51 CO 0.11 -0.61 0.46 0.35 0.00 0.00 0.00 175.10 175.41 1bkj n THR 52 N 5.05 0.00 -2.09 3.92 -2.24 -1.26 -4.44 114.28 113.22 1bkj n THR 52 Ca -0.11 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1bkj n THR 52 Cb 0.43 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1bkj n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bkj s ASP 53 N -4.27 6.56 0.42 3.42 -1.08 -1.26 -4.93 116.67 115.54 1bkj s ASP 53 Ca -0.07 1.92 0.17 0.00 -0.52 0.00 0.00 52.55 54.05 1bkj s ASP 53 Cb 0.13 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 40.01 1bkj s ASP 53 CO 0.84 -1.06 1.91 0.77 0.52 0.00 0.00 175.17 178.15 1bkj h SER 54 N 9.96 0.00 0.01 -0.34 4.64 -1.99 -2.13 113.55 123.69 1bkj h SER 54 Ca -0.35 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.75 1bkj h SER 54 Cb 1.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1bkj h SER 54 CO 0.98 0.27 -0.77 -0.33 -0.87 0.00 0.00 176.83 176.10 1bkj h GLU 55 N 0.00 0.65 -0.36 4.77 3.07 -2.00 -2.60 114.58 118.11 1bkj h GLU 55 Ca -0.00 -0.54 -0.14 0.00 -0.50 0.00 0.00 59.36 58.18 1bkj h GLU 55 Cb 0.54 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1bkj h GLU 55 CO 0.04 1.16 -0.32 0.87 -1.40 0.00 0.00 179.01 179.35 1bkj h LYS 56 N 0.44 0.79 -0.69 2.33 1.57 -1.93 -2.84 116.57 116.24 1bkj h LYS 56 Ca -0.05 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1bkj h LYS 56 Cb 1.39 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 1bkj h LYS 56 CO 0.15 1.00 0.44 0.00 -0.57 0.00 0.00 179.45 180.47 1bkj h ARG 57 N 0.67 0.93 -0.57 3.15 2.47 -1.34 -0.45 114.38 119.24 1bkj h ARG 57 Ca 0.07 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1bkj h ARG 57 Cb 0.86 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.96 1bkj h ARG 57 CO 0.08 0.63 0.11 -0.91 0.56 0.00 0.00 179.97 180.44 1bkj h ASN 58 N 0.94 0.84 -0.32 7.04 4.21 -1.40 -0.82 115.58 126.07 1bkj h ASN 58 Ca 0.25 -0.17 -0.13 0.00 1.21 0.00 0.00 56.30 57.47 1bkj h ASN 58 Cb -0.08 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 36.90 1bkj h ASN 58 CO -0.05 0.83 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.29 1bkj h GLU 59 N 0.85 0.77 -0.14 0.81 5.08 -1.19 -2.76 114.58 118.00 1bkj h GLU 59 Ca 0.18 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1bkj h GLU 59 Cb 0.34 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1bkj h GLU 59 CO 0.00 1.03 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.72 1bkj h LEU 60 N 0.54 0.25 -0.65 1.33 3.38 -0.85 -0.55 115.31 118.76 1bkj h LEU 60 Ca 0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1bkj h LEU 60 Cb 0.87 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1bkj h LEU 60 CO 0.08 0.50 -0.10 0.00 0.09 0.00 0.00 178.44 179.01 1bkj h ALA 61 N 1.52 0.85 -0.07 1.53 0.00 -1.02 -0.61 119.26 121.45 1bkj h ALA 61 Ca 0.04 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1bkj h ALA 61 Cb 0.57 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1bkj h ALA 61 CO 0.04 0.65 -0.85 -0.56 0.00 0.00 0.00 179.25 178.53 1bkj h GLN 62 N 0.86 0.59 -0.01 0.00 -0.00 -1.19 -1.80 115.11 113.57 1bkj h GLN 62 Ca 0.14 -0.54 -0.09 0.00 -0.00 0.00 0.00 58.65 58.16 1bkj h GLN 62 Cb 0.64 0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.23 1bkj h GLN 62 CO 0.04 1.16 -0.42 0.74 -0.00 0.00 0.00 178.83 180.36 1bkj h PHE 63 N 0.38 0.03 0.00 0.06 0.04 -0.95 -2.77 116.94 113.72 1bkj h PHE 63 Ca -0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1bkj h PHE 63 Cb 1.47 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.61 1bkj h PHE 63 CO 0.07 0.44 0.00 0.00 -0.60 0.00 0.00 178.31 178.22 1bkj n ALA 64 N -2.46 2.58 -0.84 2.45 0.00 -0.25 -4.06 120.51 117.93 1bkj n ALA 64 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1bkj n ALA 64 Cb 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1bkj n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkj n GLY 65 N 0.77 1.02 3.57 0.00 0.00 -1.05 -4.53 105.19 104.97 1bkj n GLY 65 Ca 0.16 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1bkj n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bkj n ASN 66 N 0.52 -1.73 -4.34 1.61 3.02 -0.73 -4.97 115.26 108.65 1bkj n ASN 66 Ca 0.00 -0.74 -0.46 0.00 -0.03 0.00 0.00 54.58 53.36 1bkj n ASN 66 Cb 0.17 -4.53 -0.04 0.00 -0.61 0.00 0.00 39.78 34.77 1bkj n ASN 66 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1bkj s GLN 67 N -5.67 3.20 0.51 3.52 -0.21 -0.88 -4.95 119.66 115.17 1bkj s GLN 67 Ca 0.02 -1.82 0.24 0.00 0.02 0.00 0.00 55.36 53.82 1bkj s GLN 67 Cb -0.00 -4.36 1.33 0.00 1.00 0.00 0.00 33.01 30.98 1bkj s GLN 67 CO 0.78 -1.39 1.96 0.00 -2.12 0.00 0.00 175.29 174.51 1bkj h ALA 68 N 8.67 2.48 0.00 6.09 0.00 -1.93 -2.60 119.26 131.96 1bkj h ALA 68 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bkj h ALA 68 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bkj h ALA 68 CO 0.98 -0.66 0.00 2.48 0.00 0.00 0.00 179.25 182.05 1bkj n TYR 69 N -4.38 0.75 0.11 0.00 4.11 -1.26 -1.36 117.16 115.12 1bkj n TYR 69 Ca 0.12 0.33 -0.03 0.00 -0.00 0.00 0.00 57.90 58.33 1bkj n TYR 69 Cb 0.66 -1.04 0.16 0.00 -0.00 0.00 0.00 39.34 39.12 1bkj n TYR 69 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1bkj h VAL 70 N 0.00 1.39 0.15 -3.48 2.07 -1.84 -1.75 116.25 112.80 1bkj h VAL 70 Ca 0.00 -1.94 -0.26 0.00 0.82 0.00 0.00 66.70 65.32 1bkj h VAL 70 Cb 0.21 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1bkj h VAL 70 CO 0.00 0.57 -1.22 -0.33 0.02 0.00 0.00 177.57 176.61 1bkj h GLU 71 N 0.11 0.33 -0.00 1.57 3.07 -1.41 -3.37 114.58 114.87 1bkj h GLU 71 Ca -0.00 -0.56 0.00 0.00 -0.50 0.00 0.00 59.36 58.30 1bkj h GLU 71 Cb 1.05 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1bkj h GLU 71 CO 0.08 1.27 -0.08 -1.13 -1.40 0.00 0.00 179.01 177.75 1bkj n SER 72 N -3.95 0.10 -4.77 1.42 3.41 -0.99 -4.89 113.62 103.96 1bkj n SER 72 Ca -0.19 0.21 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 1bkj n SER 72 Cb 0.92 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1bkj n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bkj s ALA 73 N -2.89 2.88 0.18 7.33 0.00 -0.66 -4.81 121.76 123.79 1bkj s ALA 73 Ca 0.17 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 1bkj s ALA 73 Cb 0.19 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1bkj s ALA 73 CO 0.54 -0.81 1.69 0.00 0.00 0.00 0.00 175.76 177.17 1bkj h ALA 74 N 1.77 0.84 -3.90 0.00 0.00 -1.63 -3.44 119.26 112.90 1bkj h ALA 74 Ca -0.50 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 53.83 1bkj h ALA 74 Cb 1.26 -0.24 -0.28 0.00 0.00 0.00 0.00 17.79 18.53 1bkj h ALA 74 CO 0.59 0.56 -0.76 -1.21 0.00 0.00 0.00 179.25 178.43 1bkj s GLU 75 N -5.29 0.54 -0.22 0.00 0.41 -0.81 -4.85 118.70 108.49 1bkj s GLU 75 Ca -0.12 -0.27 -0.02 0.00 -0.41 0.00 0.00 54.97 54.15 1bkj s GLU 75 Cb 0.14 -0.51 0.06 0.00 -1.78 0.00 0.00 34.13 32.04 1bkj s GLU 75 CO 0.83 0.14 0.01 0.12 -0.49 0.00 0.00 175.26 175.87 1bkj s PHE 76 N -0.24 1.50 -0.11 1.61 5.36 -1.26 -1.03 117.98 123.81 1bkj s PHE 76 Ca 0.02 -1.21 -0.04 0.00 -0.96 0.00 0.00 56.93 54.73 1bkj s PHE 76 Cb -0.03 -1.26 -0.04 0.00 -0.34 0.00 0.00 43.02 41.36 1bkj s PHE 76 CO -0.00 -0.68 0.05 -0.51 -1.46 0.00 0.00 175.22 172.62 1bkj s LEU 77 N 1.70 3.87 -0.19 6.12 1.43 -0.66 -1.88 118.68 129.06 1bkj s LEU 77 Ca -0.01 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1bkj s LEU 77 Cb -0.18 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1bkj s LEU 77 CO -0.09 0.35 -0.08 -0.69 0.23 0.00 0.00 176.35 176.07 1bkj s VAL 78 N -0.70 3.17 -0.19 -1.59 1.01 -0.26 -0.07 120.40 121.76 1bkj s VAL 78 Ca 0.12 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1bkj s VAL 78 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1bkj s VAL 78 CO 0.02 0.46 0.39 -0.36 0.00 0.00 0.00 175.10 175.61 1bkj s PHE 79 N 1.17 3.39 0.06 5.22 0.40 0.17 -0.90 117.98 127.50 1bkj s PHE 79 Ca 0.02 0.62 0.06 0.00 -0.60 0.00 0.00 56.93 57.03 1bkj s PHE 79 Cb -0.14 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.86 1bkj s PHE 79 CO -0.02 0.03 -0.16 0.00 0.70 0.00 0.00 175.22 175.77 1bkj s ILE 81 N -1.07 3.99 -0.24 0.00 1.01 0.63 -1.49 121.20 124.03 1bkj s ILE 81 Ca 0.02 1.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.47 1bkj s ILE 81 Cb -0.09 -4.17 0.09 0.00 0.01 0.00 0.00 42.46 38.30 1bkj s ILE 81 CO 0.02 0.37 0.16 -0.62 0.00 0.00 0.00 174.94 174.87 1bkj s ASP 82 N -0.56 2.45 0.00 3.58 -1.08 0.12 -1.66 116.67 119.52 1bkj s ASP 82 Ca 0.45 -0.78 0.08 0.00 -0.52 0.00 0.00 52.55 51.78 1bkj s ASP 82 Cb -0.28 -0.04 0.21 0.00 -1.46 0.00 0.00 42.92 41.36 1bkj s ASP 82 CO 0.34 -0.38 1.17 -1.22 0.52 0.00 0.00 175.17 175.59 1bkj n TYR 83 N 5.28 0.32 0.04 -5.34 4.01 0.58 -4.55 117.16 117.50 1bkj n TYR 83 Ca -0.06 -0.48 -0.12 0.00 -0.16 0.00 0.00 57.90 57.08 1bkj n TYR 83 Cb 0.46 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 1bkj n TYR 83 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1bkj h GLN 84 N 1.47 0.49 -0.91 -0.72 5.75 -1.77 -2.22 115.11 117.21 1bkj h GLN 84 Ca 0.00 -0.43 0.03 0.00 -0.15 0.00 0.00 58.65 58.11 1bkj h GLN 84 Cb 0.65 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.25 1bkj h GLN 84 CO 0.00 1.06 0.59 0.00 -2.65 0.00 0.00 178.83 177.83 1bkj h ARG 85 N 0.33 1.11 -0.25 1.69 3.08 -1.93 0.90 114.38 119.31 1bkj h ARG 85 Ca -0.05 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 1bkj h ARG 85 Cb 1.38 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1bkj h ARG 85 CO 0.14 0.74 -0.49 0.45 -1.07 0.00 0.00 179.97 179.74 1bkj h HIS 86 N 1.15 0.86 0.00 3.04 3.86 -1.86 -2.61 115.15 119.59 1bkj h HIS 86 Ca 0.36 -0.28 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 1bkj h HIS 86 Cb -0.00 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1bkj h HIS 86 CO -0.01 1.05 -0.49 0.00 0.86 0.00 0.00 177.93 179.33 1bkj h ALA 87 N 0.90 0.96 -0.18 2.45 0.00 -0.86 -1.63 119.26 120.92 1bkj h ALA 87 Ca 0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1bkj h ALA 87 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1bkj h ALA 87 CO 0.10 0.61 -0.67 1.15 0.00 0.00 0.00 179.25 180.44 1bkj h THR 88 N 0.00 1.30 -0.25 0.00 2.02 -0.67 -2.96 112.91 112.35 1bkj h THR 88 Ca -0.00 -1.92 -0.10 0.00 0.77 0.00 0.00 66.41 65.16 1bkj h THR 88 Cb 1.01 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1bkj h THR 88 CO 0.06 0.60 -0.24 0.40 0.37 0.00 0.00 175.52 176.71 1bkj h ILE 89 N 0.50 1.31 -2.75 3.11 2.04 -1.36 -3.42 117.51 116.94 1bkj h ILE 89 Ca -0.02 -1.41 -0.36 0.00 1.00 0.00 0.00 64.86 64.07 1bkj h ILE 89 Cb 1.27 1.65 -0.38 0.00 -0.74 0.00 0.00 36.82 38.63 1bkj h ILE 89 CO 0.13 0.44 -0.67 0.21 0.00 0.00 0.00 178.15 178.27 1bkj s ASN 90 N -6.42 1.63 0.50 1.72 3.84 -0.62 -5.04 114.94 110.55 1bkj s ASN 90 Ca -0.13 -0.29 0.34 0.00 0.21 0.00 0.00 52.86 52.99 1bkj s ASN 90 Cb 0.08 0.17 1.66 0.00 -0.55 0.00 0.00 41.25 42.61 1bkj s ASN 90 CO 0.81 -0.33 2.02 -0.65 -2.79 0.00 0.00 177.10 176.16 1bkj h PRO 91 N 8.35 0.00 0.00 0.43 0.11 -1.78 -3.01 132.00 136.10 1bkj h PRO 91 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1bkj h PRO 91 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bkj h PRO 91 CO 0.27 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.81 1bkj n ASP 92 N -2.79 0.00 -4.69 -2.05 9.92 -1.26 -4.87 116.55 110.80 1bkj n ASP 92 Ca -0.01 -0.04 -0.44 0.00 -0.53 0.00 0.00 54.79 53.77 1bkj n ASP 92 Cb 0.16 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.31 1bkj n ASP 92 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bkj n VAL 93 N -1.29 0.07 -3.45 2.53 0.31 -1.14 -4.98 118.33 110.39 1bkj n VAL 93 Ca 0.11 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 1bkj n VAL 93 Cb 0.19 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 1bkj n VAL 93 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1bkj s GLN 94 N 1.37 2.81 0.00 5.55 -0.21 -1.26 -4.93 119.66 122.99 1bkj s GLN 94 Ca 0.79 -1.53 0.24 0.00 0.02 0.00 0.00 55.36 54.87 1bkj s GLN 94 Cb -0.60 -4.05 0.40 0.00 1.00 0.00 0.00 33.01 29.75 1bkj s GLN 94 CO 0.37 -1.11 1.39 0.00 -2.12 0.00 0.00 175.29 173.81 1bkj n ALA 95 N 5.10 2.43 1.24 6.09 0.00 -1.26 -4.59 120.51 129.52 1bkj n ALA 95 Ca -0.11 -0.94 0.14 0.00 0.00 0.00 0.00 53.44 52.52 1bkj n ALA 95 Cb 0.42 -0.87 0.52 0.00 0.00 0.00 0.00 19.45 19.52 1bkj n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bkj n ASP 96 N 1.46 0.44 -4.74 0.00 5.75 -1.24 -4.56 116.55 113.66 1bkj n ASP 96 Ca 0.19 -0.35 -0.41 0.00 -0.01 0.00 0.00 54.79 54.20 1bkj n ASP 96 Cb 0.61 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.60 1bkj n ASP 96 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1bkj s PHE 97 N -2.67 3.28 0.45 2.11 0.08 -1.26 -0.88 117.98 119.09 1bkj s PHE 97 Ca 0.22 1.27 0.20 0.00 0.12 0.00 0.00 56.93 58.74 1bkj s PHE 97 Cb 0.19 -3.57 1.16 0.00 -0.57 0.00 0.00 43.02 40.23 1bkj s PHE 97 CO 0.53 -1.74 1.90 1.15 -0.10 0.00 0.00 175.22 176.97 1bkj h THR 98 N 3.69 0.72 -0.96 0.64 2.02 -0.99 -0.54 112.91 117.49 1bkj h THR 98 Ca -0.45 -0.10 0.13 0.00 0.77 0.00 0.00 66.41 66.76 1bkj h THR 98 Cb 1.21 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 67.92 1bkj h THR 98 CO 0.76 0.06 0.58 -0.08 0.37 0.00 0.00 175.52 177.20 1bkj h GLU 99 N 0.30 0.86 0.00 6.66 4.57 -1.91 -0.30 114.58 124.76 1bkj h GLU 99 Ca 0.39 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.45 1bkj h GLU 99 Cb 1.08 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1bkj h GLU 99 CO -0.11 0.57 -0.35 -0.07 -1.18 0.00 0.00 179.01 177.87 1bkj h LEU 100 N 0.89 0.00 -0.03 1.64 3.38 -1.42 -1.39 115.31 118.37 1bkj h LEU 100 Ca 0.49 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.22 1bkj h LEU 100 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1bkj h LEU 100 CO -0.29 0.35 -1.08 0.74 0.09 0.00 0.00 178.44 178.25 1bkj h THR 101 N 0.00 1.51 -0.56 0.22 2.02 -1.13 -2.21 112.91 112.76 1bkj h THR 101 Ca -0.00 -2.90 -0.11 0.00 0.77 0.00 0.00 66.41 64.17 1bkj h THR 101 Cb 0.73 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1bkj h THR 101 CO 0.05 0.85 -0.07 -0.07 0.37 0.00 0.00 175.52 176.64 1bkj h LEU 102 N 0.10 1.02 -0.46 2.58 3.38 -0.83 -0.70 115.31 120.39 1bkj h LEU 102 Ca -0.09 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1bkj h LEU 102 Cb 1.77 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1bkj h LEU 102 CO 0.17 1.11 0.10 0.40 0.09 0.00 0.00 178.44 180.31 1bkj h ILE 103 N 0.92 1.24 -0.55 1.22 2.04 -1.28 -1.06 117.51 120.04 1bkj h ILE 103 Ca 0.15 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1bkj h ILE 103 Cb 0.63 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1bkj h ILE 103 CO 0.04 0.30 0.33 1.23 0.00 0.00 0.00 178.15 180.05 1bkj h GLY 104 N 0.62 0.79 0.80 5.37 0.00 -1.16 -0.25 103.07 109.25 1bkj h GLY 104 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1bkj h GLY 104 CO 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 176.54 176.75 1bkj h ALA 105 N 1.16 0.27 0.14 3.60 0.00 -0.99 -2.22 119.26 121.22 1bkj h ALA 105 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1bkj h ALA 105 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bkj h ALA 105 CO -0.04 0.12 -0.07 0.28 0.00 0.00 0.00 179.25 179.55 1bkj h VAL 106 N 0.10 0.96 -0.25 0.00 2.07 -1.13 -2.42 116.25 115.57 1bkj h VAL 106 Ca 0.04 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1bkj h VAL 106 Cb 0.62 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1bkj h VAL 106 CO 0.03 0.10 0.16 0.44 0.02 0.00 0.00 177.57 178.32 1bkj h ASP 107 N -0.38 0.29 -0.30 0.57 5.19 -1.11 -2.03 116.42 118.65 1bkj h ASP 107 Ca -0.02 -0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.23 1bkj h ASP 107 Cb 0.31 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 1bkj h ASP 107 CO 0.03 0.22 -0.40 0.28 -3.12 0.00 0.00 179.24 176.25 1bkj h SER 108 N 0.35 0.92 -0.56 6.45 0.02 -1.29 -1.63 113.55 117.81 1bkj h SER 108 Ca 0.09 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1bkj h SER 108 Cb -0.03 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1bkj h SER 108 CO -0.02 1.20 0.12 1.23 -1.14 0.00 0.00 176.83 178.22 1bkj h GLY 109 N 0.84 0.97 0.80 -3.77 0.00 -0.89 -0.02 103.07 100.99 1bkj h GLY 109 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1bkj h GLY 109 CO 0.09 0.58 0.02 -2.22 0.00 0.00 0.00 176.54 175.01 1bkj h ILE 110 N 0.80 1.20 0.07 2.60 2.04 -1.34 -2.14 117.51 120.74 1bkj h ILE 110 Ca 0.17 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1bkj h ILE 110 Cb 0.37 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1bkj h ILE 110 CO 0.01 0.18 -0.03 -0.03 0.00 0.00 0.00 178.15 178.27 1bkj h MET 111 N -0.07 -0.09 -0.79 2.37 4.05 -1.24 -2.97 114.93 116.20 1bkj h MET 111 Ca 0.03 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.52 1bkj h MET 111 Cb 0.26 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 1bkj h MET 111 CO 0.00 0.04 0.52 0.00 0.23 0.00 0.00 176.91 177.70 1bkj h ALA 112 N 0.73 1.63 -0.22 0.39 0.00 -1.00 -2.15 119.26 118.63 1bkj h ALA 112 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1bkj h ALA 112 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bkj h ALA 112 CO 0.02 0.25 -0.31 0.37 0.00 0.00 0.00 179.25 179.58 1bkj h GLN 113 N 0.86 0.45 -0.48 0.00 5.75 -1.30 -1.16 115.11 119.24 1bkj h GLN 113 Ca 0.34 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 1bkj h GLN 113 Cb 0.22 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1bkj h GLN 113 CO -0.12 0.71 -0.16 -0.91 -2.65 0.00 0.00 178.83 175.71 1bkj h ASN 114 N 0.39 0.93 -0.25 -0.69 4.21 -1.25 -0.39 115.58 118.53 1bkj h ASN 114 Ca 0.05 -0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.22 1bkj h ASN 114 Cb 0.74 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1bkj h ASN 114 CO 0.06 1.07 0.08 0.00 -1.29 0.00 0.00 177.43 177.35 1bkj h LEU 116 N 0.23 0.56 -1.20 0.00 5.85 -1.07 -2.06 115.31 117.61 1bkj h LEU 116 Ca 0.08 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1bkj h LEU 116 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1bkj h LEU 116 CO -0.00 0.68 0.16 -0.07 -0.34 0.00 0.00 178.44 178.87 1bkj h LEU 117 N 0.41 0.66 -0.36 2.25 3.38 -1.04 0.16 115.31 120.76 1bkj h LEU 117 Ca 0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1bkj h LEU 117 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1bkj h LEU 117 CO 0.01 0.62 0.04 0.00 0.09 0.00 0.00 178.44 179.20 1bkj h ALA 118 N 1.47 0.49 -0.29 1.53 0.00 -1.16 -2.03 119.26 119.26 1bkj h ALA 118 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1bkj h ALA 118 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1bkj h ALA 118 CO -0.01 0.21 0.04 0.00 0.00 0.00 0.00 179.25 179.49 1bkj h ALA 119 N 0.90 0.39 0.00 0.00 0.00 -0.89 -2.92 119.26 116.73 1bkj h ALA 119 Ca 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1bkj h ALA 119 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bkj h ALA 119 CO 0.01 0.09 -0.13 0.93 0.00 0.00 0.00 179.25 180.15 1bkj h GLU 120 N 0.30 0.00 0.00 0.00 5.08 -0.62 -1.87 114.58 117.47 1bkj h GLU 120 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1bkj h GLU 120 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1bkj h GLU 120 CO 0.01 0.13 -0.06 0.66 -1.00 0.00 0.00 179.01 178.75 1bkj h SER 121 N 0.00 0.00 0.34 1.42 4.64 -1.18 -2.95 113.55 115.82 1bkj h SER 121 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bkj h SER 121 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1bkj h SER 121 CO 0.02 0.06 -0.25 0.23 -0.87 0.00 0.00 176.83 176.01 1bkj n MET 122 N -3.13 0.63 0.00 4.77 2.81 -0.76 -4.91 117.12 116.53 1bkj n MET 122 Ca 0.03 -0.33 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 1bkj n MET 122 Cb 0.48 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1bkj n MET 122 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bkj n GLY 123 N 1.36 0.88 3.96 3.03 0.00 -1.11 -5.09 105.19 108.21 1bkj n GLY 123 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1bkj n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkj s LEU 124 N 0.00 3.01 0.24 0.99 1.43 -0.84 -4.64 118.68 118.86 1bkj s LEU 124 Ca 0.00 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1bkj s LEU 124 Cb 0.00 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1bkj s LEU 124 CO 0.00 -1.56 0.05 -0.83 0.23 0.00 0.00 176.35 174.23 1bkj s GLY 125 N -4.56 1.59 0.12 -3.19 0.00 0.54 -4.04 107.32 97.80 1bkj s GLY 125 Ca 0.61 -1.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 1bkj s GLY 125 CO 0.43 -1.61 1.08 -0.32 0.00 0.00 0.00 173.10 172.68 1bkj s GLY 126 N -3.29 -0.09 -0.19 0.20 0.00 -1.26 -1.54 107.32 101.15 1bkj s GLY 126 Ca 0.32 -0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.82 1bkj s GLY 126 CO 0.10 1.75 0.57 0.54 0.00 0.00 0.00 173.10 176.06 1bkj s VAL 127 N -2.50 0.00 0.39 1.40 0.11 -0.90 -1.75 120.40 117.15 1bkj s VAL 127 Ca 0.19 -0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 58.99 1bkj s VAL 127 Cb -0.01 -0.80 -0.10 0.00 -1.53 0.00 0.00 36.38 33.94 1bkj s VAL 127 CO 0.02 -0.01 0.97 -0.31 -3.33 0.00 0.00 175.10 172.45 1bkj s TYR 128 N 0.13 3.40 -0.44 1.54 1.51 -1.26 -1.00 117.35 121.23 1bkj s TYR 128 Ca -0.01 1.67 0.03 0.00 -1.01 0.00 0.00 57.07 57.75 1bkj s TYR 128 Cb -0.04 -2.94 0.12 0.00 -0.11 0.00 0.00 41.96 38.99 1bkj s TYR 128 CO 0.02 -0.15 0.20 0.42 -1.11 0.00 0.00 175.55 174.92 1bkj s ILE 129 N -1.88 1.99 -0.73 2.71 -1.09 0.88 -4.90 121.20 118.18 1bkj s ILE 129 Ca 0.58 -2.73 0.26 0.00 -2.23 0.00 0.00 60.65 56.53 1bkj s ILE 129 Cb -0.15 -2.41 0.20 0.00 -1.58 0.00 0.00 42.46 38.52 1bkj s ILE 129 CO 0.20 -0.78 1.63 0.61 -1.23 0.00 0.00 174.94 175.36 1bkj n GLY 130 N 3.61 -1.59 0.29 6.18 0.00 -1.26 -0.32 105.19 112.09 1bkj n GLY 130 Ca 0.05 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.11 1bkj n GLY 130 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bkj h GLY 131 N 4.56 0.00 2.00 -0.02 0.00 -1.91 -1.67 103.07 106.02 1bkj h GLY 131 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bkj h GLY 131 CO 0.00 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.93 1bkj h LEU 132 N 0.00 0.00 -0.36 3.11 3.38 -1.82 -1.73 115.31 117.88 1bkj h LEU 132 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bkj h LEU 132 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1bkj h LEU 132 CO 0.00 0.02 0.00 0.54 0.09 0.00 0.00 178.44 179.09 1bkj n ARG 133 N -3.96 0.12 -0.33 1.13 1.74 -0.63 -2.88 116.66 111.85 1bkj n ARG 133 Ca -0.03 0.32 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 1bkj n ARG 133 Cb 0.10 -1.72 0.12 0.00 -1.02 0.00 0.00 32.46 29.95 1bkj n ARG 133 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1bkj h ASN 134 N 0.00 0.96 -1.42 0.55 2.35 -1.53 -3.08 115.58 113.41 1bkj h ASN 134 Ca 0.00 -0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1bkj h ASN 134 Cb 0.36 -0.21 -0.41 0.00 0.05 0.00 0.00 38.32 38.10 1bkj h ASN 134 CO 0.00 0.65 -0.93 -1.20 -1.65 0.00 0.00 177.43 174.30 1bkj n SER 135 N -4.53 3.19 -0.27 5.81 7.64 -1.14 -4.96 113.62 119.37 1bkj n SER 135 Ca 0.12 -3.29 0.07 0.00 1.01 0.00 0.00 58.87 56.78 1bkj n SER 135 Cb 0.10 -0.51 0.21 0.00 -1.01 0.00 0.00 64.21 63.01 1bkj n SER 135 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bkj h ALA 136 N 2.80 1.14 -0.39 -0.43 0.00 -1.43 -0.85 119.26 120.09 1bkj h ALA 136 Ca 0.12 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1bkj h ALA 136 Cb 0.99 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1bkj h ALA 136 CO 0.69 -0.24 -0.15 0.00 0.00 0.00 0.00 179.25 179.55 1bkj h ALA 137 N 1.59 1.00 0.02 0.00 0.00 -1.90 -0.98 119.26 118.99 1bkj h ALA 137 Ca 0.45 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1bkj h ALA 137 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1bkj h ALA 137 CO -0.44 0.59 -0.94 -0.56 0.00 0.00 0.00 179.25 177.90 1bkj h GLN 138 N 0.65 0.26 -0.42 0.00 -0.00 -1.80 -2.35 115.11 111.45 1bkj h GLN 138 Ca 0.11 -0.31 -0.14 0.00 -0.00 0.00 0.00 58.65 58.31 1bkj h GLN 138 Cb 0.62 0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.18 1bkj h GLN 138 CO 0.04 1.03 -0.29 0.28 -0.00 0.00 0.00 178.83 179.89 1bkj h VAL 139 N 0.14 1.27 -0.04 1.86 2.07 -1.07 -2.43 116.25 118.04 1bkj h VAL 139 Ca -0.06 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1bkj h VAL 139 Cb 1.59 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1bkj h VAL 139 CO 0.15 0.49 0.03 -0.78 0.02 0.00 0.00 177.57 177.48 1bkj h ASP 140 N 0.77 0.05 -0.48 0.57 1.82 -1.16 -2.17 116.42 115.83 1bkj h ASP 140 Ca 0.08 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1bkj h ASP 140 Cb 0.87 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.85 1bkj h ASP 140 CO 0.08 0.05 0.15 -0.33 -1.61 0.00 0.00 179.24 177.58 1bkj h GLU 141 N 0.05 0.80 -0.52 0.28 4.39 -1.41 -2.02 114.58 116.14 1bkj h GLU 141 Ca 0.02 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 1bkj h GLU 141 Cb 0.01 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1bkj h GLU 141 CO -0.00 0.71 -0.08 1.25 -1.16 0.00 0.00 179.01 179.73 1bkj h LEU 142 N 0.78 0.93 -0.56 1.33 5.85 -1.22 -2.75 115.31 119.67 1bkj h LEU 142 Ca 0.18 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1bkj h LEU 142 Cb 0.25 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1bkj h LEU 142 CO -0.01 1.03 -0.14 0.18 -0.34 0.00 0.00 178.44 179.17 1bkj n LEU 143 N -4.16 1.02 -2.32 2.25 4.77 -0.83 -4.97 117.00 112.75 1bkj n LEU 143 Ca 0.02 -0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 55.56 1bkj n LEU 143 Cb 0.37 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1bkj n LEU 143 CO 0.44 0.18 -0.02 0.61 -1.33 0.00 0.00 177.39 177.27 1bkj n GLY 144 N 1.26 -0.25 3.71 -0.72 0.00 -0.79 -4.98 105.19 103.42 1bkj n GLY 144 Ca 0.15 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1bkj n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkj s LEU 145 N -5.20 4.36 0.00 0.99 1.43 -1.02 -5.03 118.68 114.21 1bkj s LEU 145 Ca 0.21 2.33 -0.10 0.00 -1.03 0.00 0.00 54.13 55.54 1bkj s LEU 145 Cb -0.09 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.69 1bkj s LEU 145 CO 0.26 -0.70 0.76 -0.81 0.23 0.00 0.00 176.35 176.09 1bkj n PRO 146 N 4.34 -0.98 -1.44 1.29 -0.04 -1.26 -4.90 135.00 132.01 1bkj n PRO 146 Ca 0.12 -1.19 -0.33 0.00 -0.04 0.00 0.00 63.50 62.06 1bkj n PRO 146 Cb 0.42 -0.83 0.09 0.00 -0.04 0.00 0.00 33.50 33.14 1bkj n PRO 146 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1bkj s GLU 147 N -4.68 2.21 -1.49 0.54 1.03 -1.26 -3.16 118.70 111.89 1bkj s GLU 147 Ca 0.44 1.62 0.00 0.00 0.03 0.00 0.00 54.97 57.06 1bkj s GLU 147 Cb -0.02 -1.86 0.00 0.00 -0.80 0.00 0.00 34.13 31.46 1bkj s GLU 147 CO 0.31 -1.75 0.00 0.09 -1.33 0.00 0.00 175.26 172.59 1bkj n ASN 148 N -2.82 -4.71 -3.93 0.83 3.02 0.59 -4.44 115.26 103.81 1bkj n ASN 148 Ca 0.12 0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.81 1bkj n ASN 148 Cb 0.51 -3.62 -0.13 0.00 -0.61 0.00 0.00 39.78 35.93 1bkj n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1bkj s SER 149 N -2.69 0.21 -0.08 6.41 0.15 -1.19 -0.31 113.70 116.21 1bkj s SER 149 Ca 0.00 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.23 1bkj s SER 149 Cb 0.00 0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1bkj s SER 149 CO 0.00 -0.12 0.44 0.00 1.20 0.00 0.00 173.24 174.77 1bkj s ALA 150 N -0.64 -1.12 0.23 5.45 0.00 -0.66 -4.82 121.76 120.21 1bkj s ALA 150 Ca -0.06 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 1bkj s ALA 150 Cb -0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 1bkj s ALA 150 CO -0.00 -0.27 0.90 0.54 0.00 0.00 0.00 175.76 176.93 1bkj s VAL 151 N -0.73 4.16 -0.02 0.00 0.11 -1.26 -0.27 120.40 122.38 1bkj s VAL 151 Ca -0.08 1.96 -0.04 0.00 -2.93 0.00 0.00 61.98 60.89 1bkj s VAL 151 Cb -0.03 -4.24 -0.02 0.00 -1.53 0.00 0.00 36.38 30.55 1bkj s VAL 151 CO 0.04 0.45 -0.08 0.18 -3.33 0.00 0.00 175.10 172.37 1bkj n LEU 152 N 1.38 0.78 -3.66 2.54 4.77 -0.69 -4.90 117.00 117.22 1bkj n LEU 152 Ca -0.02 0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 1bkj n LEU 152 Cb 0.48 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1bkj n LEU 152 CO 0.48 -0.17 0.61 0.72 -1.33 0.00 0.00 177.39 177.70 1bkj s PHE 153 N -2.15 -0.26 0.54 -1.77 -0.12 -1.19 -4.67 117.98 108.35 1bkj s PHE 153 Ca -0.08 -0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.82 1bkj s PHE 153 Cb 0.02 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1bkj s PHE 153 CO 0.11 -0.85 0.25 0.20 -0.05 0.00 0.00 175.22 174.88 1bkj s GLY 154 N -2.79 2.65 -0.18 1.99 0.00 0.56 -0.65 107.32 108.89 1bkj s GLY 154 Ca 0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.90 1bkj s GLY 154 CO -0.02 -2.05 0.38 -0.29 0.00 0.00 0.00 173.10 171.12 1bkj s MET 155 N -4.14 0.29 0.01 2.90 1.75 0.90 -0.09 119.30 120.92 1bkj s MET 155 Ca 0.22 0.94 -0.20 0.00 -1.25 0.00 0.00 55.69 55.40 1bkj s MET 155 Cb -0.01 0.21 -0.06 0.00 2.84 0.00 0.00 34.83 37.82 1bkj s MET 155 CO 0.14 -0.25 0.57 0.00 -0.65 0.00 0.00 175.02 174.83 1bkj s LEU 157 N -0.39 2.13 0.00 0.00 1.43 -0.20 -2.13 118.68 119.52 1bkj s LEU 157 Ca 0.30 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1bkj s LEU 157 Cb -0.18 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1bkj s LEU 157 CO 0.17 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1bkj n GLY 158 N 2.24 -0.73 3.71 -3.19 0.00 -0.59 -1.65 105.19 104.97 1bkj n GLY 158 Ca -0.17 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1bkj n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bkj s HIS 159 N -2.00 3.47 0.34 1.61 3.76 -1.26 -0.34 115.29 120.87 1bkj s HIS 159 Ca 0.00 1.42 -0.28 0.00 -0.15 0.00 0.00 55.06 56.05 1bkj s HIS 159 Cb 0.00 -3.32 -0.10 0.00 1.11 0.00 0.00 32.58 30.27 1bkj s HIS 159 CO 0.00 -0.84 1.34 -2.14 -0.85 0.00 0.00 174.74 172.24 1bkj s PRO 160 N 1.29 4.28 -0.14 8.40 0.02 -1.26 -1.66 135.00 145.94 1bkj s PRO 160 Ca 0.56 2.27 0.15 0.00 0.02 0.00 0.00 61.00 63.99 1bkj s PRO 160 Cb -0.25 -3.03 0.37 0.00 0.02 0.00 0.00 34.50 31.61 1bkj s PRO 160 CO 0.27 -0.27 1.18 -3.47 -0.33 0.00 0.00 177.00 174.39 1bkj n ASP 161 N 0.69 1.59 -3.50 2.53 2.03 0.01 -4.63 116.55 115.27 1bkj n ASP 161 Ca 0.00 -3.29 -0.11 0.00 0.52 0.00 0.00 54.79 51.91 1bkj n ASP 161 Cb 0.41 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 1bkj n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bkj s GLN 162 N -2.38 1.26 -0.42 -0.67 -2.07 -1.26 -4.87 119.66 109.25 1bkj s GLN 162 Ca 0.34 -0.57 0.06 0.00 -1.82 0.00 0.00 55.36 53.37 1bkj s GLN 162 Cb 0.34 0.56 0.21 0.00 -1.09 0.00 0.00 33.01 33.03 1bkj s GLN 162 CO -0.07 -0.54 0.44 -1.71 -1.32 0.00 0.00 175.29 172.10 1bkj n ASN 163 N -0.35 0.11 -4.77 12.60 5.15 -1.26 -5.05 115.26 121.69 1bkj n ASN 163 Ca -0.16 -2.59 -0.33 0.00 -0.60 0.00 0.00 54.58 50.90 1bkj n ASN 163 Cb 0.64 -0.60 0.04 0.00 -0.53 0.00 0.00 39.78 39.33 1bkj n ASN 163 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1bkj s PRO 164 N -0.66 2.90 0.39 1.20 0.02 -1.26 -5.02 135.00 132.56 1bkj s PRO 164 Ca 0.34 1.43 -0.20 0.00 0.02 0.00 0.00 61.00 62.59 1bkj s PRO 164 Cb 0.10 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1bkj s PRO 164 CO -0.15 -1.17 0.90 -1.83 -0.33 0.00 0.00 177.00 174.41 1bkj s GLU 165 N -3.95 4.22 0.19 5.54 1.03 -1.26 -4.97 118.70 119.51 1bkj s GLU 165 Ca 0.68 1.04 -0.31 0.00 0.03 0.00 0.00 54.97 56.41 1bkj s GLU 165 Cb -0.21 -2.33 -0.11 0.00 -0.80 0.00 0.00 34.13 30.69 1bkj s GLU 165 CO 0.39 0.06 1.61 0.08 -1.33 0.00 0.00 175.26 176.06 1bkj s VAL 166 N -2.05 2.40 -0.14 1.83 1.01 -1.26 -4.98 120.40 117.21 1bkj s VAL 166 Ca 0.58 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 1bkj s VAL 166 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1bkj s VAL 166 CO 0.15 0.03 0.78 -0.54 0.00 0.00 0.00 175.10 175.52 1bkj s LYS 167 N 0.93 4.33 0.50 2.72 1.02 -1.26 -5.07 119.74 122.92 1bkj s LYS 167 Ca 0.70 0.95 -0.20 0.00 0.02 0.00 0.00 55.97 57.43 1bkj s LYS 167 Cb -0.46 -3.54 -0.07 0.00 -0.52 0.00 0.00 37.83 33.25 1bkj s LYS 167 CO 0.33 -0.20 1.10 -1.25 -0.92 0.00 0.00 175.35 174.41 1bkj s PRO 168 N 1.70 3.62 0.50 -1.68 0.04 -1.26 -5.06 135.00 132.86 1bkj s PRO 168 Ca 0.37 1.53 0.06 0.00 0.04 0.00 0.00 61.00 63.01 1bkj s PRO 168 Cb -0.17 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1bkj s PRO 168 CO 0.14 -0.61 0.32 1.03 0.04 0.00 0.00 177.00 177.92 1bkj s ARG 169 N -3.14 2.28 0.53 4.56 3.00 -1.26 -5.03 118.95 119.89 1bkj s ARG 169 Ca 0.69 -1.94 -0.22 0.00 0.00 0.00 0.00 55.73 54.25 1bkj s ARG 169 Cb -0.22 -2.07 -0.06 0.00 0.00 0.00 0.00 34.95 32.61 1bkj s ARG 169 CO 0.25 -0.43 1.36 -0.51 0.00 0.00 0.00 175.30 175.97 1bkj s LEU 170 N -4.15 3.90 0.73 2.53 1.43 -1.26 -4.96 118.68 116.91 1bkj s LEU 170 Ca 0.35 2.77 -0.15 0.00 -1.03 0.00 0.00 54.13 56.07 1bkj s LEU 170 Cb -0.01 -4.21 0.04 0.00 0.03 0.00 0.00 46.19 42.04 1bkj s LEU 170 CO 0.21 -1.47 1.21 -2.16 0.23 0.00 0.00 176.35 174.37 1bkj s PRO 171 N -2.82 2.15 0.38 1.29 0.04 -1.26 -4.85 135.00 129.93 1bkj s PRO 171 Ca 0.69 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.61 1bkj s PRO 171 Cb -0.40 -1.83 0.91 0.00 0.04 0.00 0.00 34.50 33.21 1bkj s PRO 171 CO 0.49 -1.83 1.86 0.00 0.04 0.00 0.00 177.00 177.56 1bkj h ALA 172 N -0.28 1.95 0.00 8.56 0.00 -1.98 -1.70 119.26 125.82 1bkj h ALA 172 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bkj h ALA 172 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bkj h ALA 172 CO 0.50 -0.21 0.00 1.12 0.00 0.00 0.00 179.25 180.66 1bkj h HIS 173 N 0.59 0.00 0.06 0.00 2.07 -1.91 0.33 115.15 116.29 1bkj h HIS 173 Ca 0.46 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.71 1bkj h HIS 173 Cb 0.87 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.83 1bkj h HIS 173 CO -0.00 0.00 -1.42 0.28 -3.07 0.00 0.00 177.93 173.72 1bkj h VAL 174 N 0.00 0.91 -0.01 6.12 2.07 -1.67 -3.40 116.25 120.26 1bkj h VAL 174 Ca 0.00 -2.28 -0.22 0.00 0.82 0.00 0.00 66.70 65.02 1bkj h VAL 174 Cb 0.38 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1bkj h VAL 174 CO 0.00 0.56 -0.93 0.58 0.02 0.00 0.00 177.57 177.80 1bkj h VAL 175 N -0.58 1.39 -3.48 2.57 2.07 -1.38 -3.44 116.25 113.40 1bkj h VAL 175 Ca -0.34 -2.40 -0.61 0.00 0.82 0.00 0.00 66.70 64.17 1bkj h VAL 175 Cb 1.57 2.38 -0.13 0.00 -1.52 0.00 0.00 31.29 33.60 1bkj h VAL 175 CO -0.07 0.72 -0.38 -0.69 0.02 0.00 0.00 177.57 177.17 1bkj s VAL 176 N -3.31 5.31 -0.06 2.57 1.01 0.09 -5.08 120.40 120.93 1bkj s VAL 176 Ca -0.06 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1bkj s VAL 176 Cb 0.09 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1bkj s VAL 176 CO 0.87 0.33 -0.11 -1.00 0.00 0.00 0.00 175.10 175.19 1bkj s HIS 177 N 0.98 2.81 -0.32 5.22 3.76 -1.26 -4.68 115.29 121.80 1bkj s HIS 177 Ca 0.12 -0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 54.81 1bkj s HIS 177 Cb -0.14 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 1bkj s HIS 177 CO 0.05 0.25 0.33 -1.21 -0.85 0.00 0.00 174.74 173.31 1bkj s GLU 178 N -0.75 3.69 0.00 1.40 0.41 -1.26 -4.71 118.70 117.48 1bkj s GLU 178 Ca 0.12 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.34 1bkj s GLU 178 Cb -0.11 -3.76 0.00 0.00 -1.78 0.00 0.00 34.13 28.48 1bkj s GLU 178 CO 0.01 -0.43 0.00 0.09 -0.49 0.00 0.00 175.26 174.44 1bkj n ASN 179 N 5.31 0.00 -3.83 -0.19 3.02 -1.26 -4.77 115.26 113.54 1bkj n ASN 179 Ca -0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.34 1bkj n ASN 179 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 1bkj n ASN 179 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1bkj s GLN 180 N 0.00 0.69 0.15 3.52 -1.52 -1.26 -5.13 119.66 116.10 1bkj s GLN 180 Ca 0.00 -0.55 -0.31 0.00 -1.95 0.00 0.00 55.36 52.55 1bkj s GLN 180 Cb 0.00 0.29 -0.09 0.00 -0.22 0.00 0.00 33.01 32.98 1bkj s GLN 180 CO 0.00 -0.20 1.53 -0.47 -0.25 0.00 0.00 175.29 175.90 1bkj s TYR 181 N -2.32 3.07 -0.07 0.91 6.14 -1.26 -4.84 117.35 118.98 1bkj s TYR 181 Ca -0.07 0.69 -0.02 0.00 0.64 0.00 0.00 57.07 58.30 1bkj s TYR 181 Cb -0.02 -3.87 -0.04 0.00 0.42 0.00 0.00 41.96 38.45 1bkj s TYR 181 CO -0.02 -3.19 0.06 1.14 0.64 0.00 0.00 175.55 174.17 1bkj s GLN 182 N 1.22 3.11 0.56 4.97 1.03 -1.26 -5.08 119.66 124.21 1bkj s GLN 182 Ca 0.69 -0.37 -0.19 0.00 0.04 0.00 0.00 55.36 55.53 1bkj s GLN 182 Cb -0.42 -2.90 -0.05 0.00 0.03 0.00 0.00 33.01 29.67 1bkj s GLN 182 CO 0.31 0.70 1.15 -1.21 -2.54 0.00 0.00 175.29 173.70 1bkj s GLU 183 N -1.21 3.25 0.12 9.60 0.41 -1.26 -4.99 118.70 124.62 1bkj s GLU 183 Ca 0.17 1.66 -0.30 0.00 -0.41 0.00 0.00 54.97 56.09 1bkj s GLU 183 Cb -0.12 -1.98 -0.06 0.00 -1.78 0.00 0.00 34.13 30.19 1bkj s GLU 183 CO 0.07 -0.95 1.07 -1.17 -0.49 0.00 0.00 175.26 173.79 1bkj s LEU 184 N -3.89 4.46 -0.38 1.80 2.96 -1.26 -5.03 118.68 117.35 1bkj s LEU 184 Ca 0.74 1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 56.46 1bkj s LEU 184 Cb -0.26 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1bkj s LEU 184 CO 0.29 -0.23 0.32 0.21 -1.32 0.00 0.00 176.35 175.61 1bkj s ASN 185 N 0.24 6.12 0.46 3.68 3.84 -1.26 -4.96 114.94 123.06 1bkj s ASN 185 Ca 0.51 -0.60 0.31 0.00 0.21 0.00 0.00 52.86 53.28 1bkj s ASN 185 Cb -0.27 -2.17 1.67 0.00 -0.55 0.00 0.00 41.25 39.92 1bkj s ASN 185 CO 0.32 -0.39 1.95 -0.07 -2.79 0.00 0.00 177.10 176.12 1bkj h LEU 186 N 8.68 0.00 -1.09 3.21 3.38 -2.01 -1.75 115.31 125.74 1bkj h LEU 186 Ca -0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1bkj h LEU 186 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1bkj h LEU 186 CO 0.71 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 179.56 1bkj h ASP 187 N 0.00 0.50 0.17 -0.43 3.32 -1.99 -2.14 116.42 115.84 1bkj h ASP 187 Ca 0.00 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 1bkj h ASP 187 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1bkj h ASP 187 CO 0.00 0.65 -0.37 0.44 -1.72 0.00 0.00 179.24 178.24 1bkj h ASP 188 N 0.48 0.29 -0.07 6.45 3.32 -1.74 -0.83 116.42 124.31 1bkj h ASP 188 Ca 0.09 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 1bkj h ASP 188 Cb 0.49 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1bkj h ASP 188 CO 0.03 0.64 -0.66 0.40 -1.72 0.00 0.00 179.24 177.92 1bkj h ILE 189 N 0.24 1.30 -0.48 0.35 1.08 -1.58 -1.61 117.51 116.81 1bkj h ILE 189 Ca 0.03 -1.91 -0.13 0.00 -0.39 0.00 0.00 64.86 62.46 1bkj h ILE 189 Cb 0.76 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1bkj h ILE 189 CO 0.06 0.60 -0.21 -0.61 -0.69 0.00 0.00 178.15 177.30 1bkj h GLN 190 N 0.50 0.99 -0.51 2.37 4.15 -1.10 -0.50 115.11 121.01 1bkj h GLN 190 Ca -0.02 -0.42 -0.06 0.00 0.77 0.00 0.00 58.65 58.92 1bkj h GLN 190 Cb 1.26 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 1bkj h GLN 190 CO 0.13 1.10 0.09 0.77 -1.93 0.00 0.00 178.83 178.98 1bkj h SER 191 N 0.86 0.75 -0.25 -0.69 0.02 -1.07 -1.92 113.55 111.24 1bkj h SER 191 Ca 0.11 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.73 1bkj h SER 191 Cb 0.79 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1bkj h SER 191 CO 0.07 0.76 -0.56 0.22 -1.14 0.00 0.00 176.83 176.18 1bkj h TYR 192 N 0.76 1.04 -0.81 3.45 3.20 -1.02 -2.38 116.97 121.22 1bkj h TYR 192 Ca 0.16 -0.39 0.01 0.00 3.14 0.00 0.00 58.73 61.66 1bkj h TYR 192 Cb 0.34 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1bkj h TYR 192 CO 0.02 1.21 0.53 -0.44 -1.64 0.00 0.00 178.16 177.84 1bkj h ASP 193 N 0.57 0.91 -0.01 -2.11 3.32 -0.80 -1.07 116.42 117.23 1bkj h ASP 193 Ca 0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1bkj h ASP 193 Cb 1.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1bkj h ASP 193 CO 0.12 0.65 -0.42 1.56 -1.72 0.00 0.00 179.24 179.44 1bkj h GLN 194 N 1.07 0.53 -0.28 3.56 7.50 -1.23 -0.67 115.11 125.59 1bkj h GLN 194 Ca 0.30 -0.27 -0.13 0.00 0.50 0.00 0.00 58.65 59.05 1bkj h GLN 194 Cb -0.09 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1bkj h GLN 194 CO -0.07 0.85 -0.36 1.15 -1.50 0.00 0.00 178.83 178.91 1bkj h THR 195 N 0.44 1.29 0.00 -0.54 2.02 -0.89 -2.60 112.91 112.63 1bkj h THR 195 Ca 0.04 -1.50 -0.11 0.00 0.77 0.00 0.00 66.41 65.60 1bkj h THR 195 Cb 0.91 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1bkj h THR 195 CO 0.08 0.48 -0.54 0.24 0.37 0.00 0.00 175.52 176.15 1bkj h MET 196 N 0.52 0.00 -0.15 6.66 2.07 -0.94 -2.79 114.93 120.30 1bkj h MET 196 Ca 0.05 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.52 1bkj h MET 196 Cb 0.86 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.58 1bkj h MET 196 CO 0.07 0.54 -0.60 1.96 1.07 0.00 0.00 176.91 179.95 1bkj h GLN 197 N 0.00 0.50 -0.01 1.72 4.20 -0.99 -2.78 115.11 117.75 1bkj h GLN 197 Ca -0.01 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.25 1bkj h GLN 197 Cb 1.29 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1bkj h GLN 197 CO 0.07 0.96 -0.53 0.00 -0.67 0.00 0.00 178.83 178.66 1bkj h ALA 198 N 0.96 1.11 -0.25 3.87 0.00 -1.43 -2.99 119.26 120.54 1bkj h ALA 198 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1bkj h ALA 198 Cb 1.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bkj h ALA 198 CO 0.11 0.66 -0.24 -0.92 0.00 0.00 0.00 179.25 178.86 1bkj h TYR 199 N 0.02 0.72 0.00 0.00 3.20 -1.40 -3.52 116.97 116.00 1bkj h TYR 199 Ca -0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1bkj h TYR 199 Cb 0.94 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1bkj h TYR 199 CO 0.00 0.92 0.00 0.66 -1.64 0.00 0.00 178.16 178.10 1bkj n TYR 200 N -4.35 0.00 0.00 -3.82 4.01 -1.06 -5.12 117.16 106.82 1bkj n TYR 200 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1bkj n TYR 200 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1bkj n TYR 200 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bkj n SER 210 N 0.00 0.00 -4.90 7.72 2.88 -1.26 -5.09 113.62 112.97 1bkj n SER 210 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1bkj n SER 210 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1bkj n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1bkj s THR 211 N 0.00 3.47 0.13 2.46 -4.23 -1.26 -4.89 115.64 111.32 1bkj s THR 211 Ca 0.00 0.20 -0.23 0.00 -1.18 0.00 0.00 61.69 60.48 1bkj s THR 211 Cb 0.00 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 1bkj s THR 211 CO 0.00 -0.50 1.66 -0.25 -0.54 0.00 0.00 174.62 174.99 1bkj h TRP 212 N -0.43 -0.42 -0.91 3.99 7.01 -1.95 -0.00 115.95 123.24 1bkj h TRP 212 Ca -0.45 0.02 0.02 0.00 2.11 0.00 0.00 58.89 60.59 1bkj h TRP 212 Cb 1.26 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 28.48 1bkj h TRP 212 CO 0.47 -0.24 0.60 0.66 -2.79 0.00 0.00 178.44 177.15 1bkj h SER 213 N -0.22 1.03 0.30 2.65 4.64 -1.95 -1.23 113.55 118.77 1bkj h SER 213 Ca 0.09 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1bkj h SER 213 Cb 0.34 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1bkj h SER 213 CO -0.23 0.73 -0.79 1.56 -0.87 0.00 0.00 176.83 177.23 1bkj h GLN 214 N 1.21 0.39 -0.13 4.77 7.50 -1.90 -2.44 115.11 124.51 1bkj h GLN 214 Ca 0.34 -0.35 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 1bkj h GLN 214 Cb -0.10 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 1bkj h GLN 214 CO -0.08 1.00 -0.11 1.05 -1.50 0.00 0.00 178.83 179.19 1bkj h GLU 215 N 0.25 0.30 -0.18 1.46 4.11 -0.69 -1.39 114.58 118.44 1bkj h GLU 215 Ca -0.04 -0.15 -0.17 0.00 0.07 0.00 0.00 59.36 59.06 1bkj h GLU 215 Cb 1.38 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.64 1bkj h GLU 215 CO 0.13 0.68 -0.56 -0.39 0.07 0.00 0.00 179.01 178.94 1bkj h VAL 216 N -0.08 1.31 0.00 -1.06 -1.51 -1.32 -2.73 116.25 110.87 1bkj h VAL 216 Ca 0.02 -1.80 -0.07 0.00 -1.23 0.00 0.00 66.70 63.62 1bkj h VAL 216 Cb 0.62 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1bkj h VAL 216 CO 0.03 0.56 -0.35 0.71 -1.23 0.00 0.00 177.57 177.29 1bkj h THR 217 N 0.40 0.82 -0.43 7.19 1.35 -1.53 -2.35 112.91 118.36 1bkj h THR 217 Ca -0.02 -1.47 -0.11 0.00 -0.55 0.00 0.00 66.41 64.25 1bkj h THR 217 Cb 1.19 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 69.51 1bkj h THR 217 CO 0.12 0.35 -0.19 1.23 -0.25 0.00 0.00 175.52 176.78 1bkj h GLY 218 N 2.12 0.90 1.23 5.82 0.00 -1.20 -1.05 103.07 110.90 1bkj h GLY 218 Ca -0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 1bkj h GLY 218 CO 0.05 0.69 -0.32 0.07 0.00 0.00 0.00 176.54 177.02 1bkj h LYS 219 N 0.73 0.85 0.00 4.80 2.10 -1.21 -2.99 116.57 120.85 1bkj h LYS 219 Ca 0.11 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1bkj h LYS 219 Cb 0.71 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1bkj h LYS 219 CO 0.05 1.05 0.00 1.28 -2.00 0.00 0.00 179.45 179.83 1bkj n LEU 220 N -4.07 0.51 0.19 7.07 4.77 -0.91 -2.55 117.00 122.00 1bkj n LEU 220 Ca -0.01 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1bkj n LEU 220 Cb 0.50 -0.42 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 1bkj n LEU 220 CO 0.47 -0.20 0.84 0.00 -1.33 0.00 0.00 177.39 177.17 1bkj h ALA 221 N 2.61 1.00 -3.36 -1.18 0.00 -1.04 -3.45 119.26 113.85 1bkj h ALA 221 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bkj h ALA 221 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bkj h ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1bkj n GLY 222 N 1.12 1.05 3.76 0.00 0.00 -1.06 -5.07 105.19 104.99 1bkj n GLY 222 Ca 0.04 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1bkj n GLY 222 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bkj s GLU 223 N -0.17 4.16 -0.48 1.61 2.02 -1.26 -5.04 118.70 119.53 1bkj s GLU 223 Ca 0.00 0.29 -0.14 0.00 0.02 0.00 0.00 54.97 55.14 1bkj s GLU 223 Cb 0.00 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.96 1bkj s GLU 223 CO 0.00 0.36 0.40 -1.12 0.02 0.00 0.00 175.26 174.91 1bkj s SER 224 N 0.04 6.02 -0.71 -0.19 0.01 -1.26 -4.75 113.70 112.86 1bkj s SER 224 Ca 0.22 -1.57 -0.09 0.00 1.31 0.00 0.00 55.95 55.81 1bkj s SER 224 Cb -0.15 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1bkj s SER 224 CO 0.09 -0.70 0.46 0.54 0.41 0.00 0.00 173.24 174.04 1bkj n ARG 225 N 5.13 -0.90 0.12 12.44 1.74 -1.26 -4.82 116.66 129.12 1bkj n ARG 225 Ca -0.12 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.37 1bkj n ARG 225 Cb 0.42 -1.60 0.43 0.00 -1.02 0.00 0.00 32.46 30.68 1bkj n ARG 225 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bkj n PRO 226 N -2.73 0.10 0.00 5.56 -0.04 -1.26 -2.06 135.00 134.57 1bkj n PRO 226 Ca -0.19 0.60 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1bkj n PRO 226 Cb 0.48 -1.86 0.63 0.00 -0.04 0.00 0.00 33.50 32.72 1bkj n PRO 226 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1bkj n HIS 227 N -2.05 0.00 -0.04 0.54 1.44 -1.26 -4.38 115.22 109.47 1bkj n HIS 227 Ca -0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.59 1bkj n HIS 227 Cb 0.05 -0.35 -0.05 0.00 0.12 0.00 0.00 29.99 29.75 1bkj n HIS 227 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 1bkj h ILE 228 N 0.09 1.16 -0.41 0.61 1.08 -1.77 -2.07 117.51 116.20 1bkj h ILE 228 Ca 0.00 -0.47 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1bkj h ILE 228 Cb 0.40 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1bkj h ILE 228 CO 0.00 0.15 0.14 0.25 -0.69 0.00 0.00 178.15 178.00 1bkj h LEU 229 N 0.09 0.58 -1.73 1.44 5.85 -1.84 -1.63 115.31 118.07 1bkj h LEU 229 Ca 0.05 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1bkj h LEU 229 Cb 0.18 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1bkj h LEU 229 CO -0.00 0.62 0.00 -0.65 -0.34 0.00 0.00 178.44 178.07 1bkj h PRO 230 N 0.52 0.16 0.21 5.25 0.11 -1.81 0.07 132.00 136.51 1bkj h PRO 230 Ca 0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1bkj h PRO 230 Cb 0.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1bkj h PRO 230 CO -0.01 0.18 -0.10 -0.92 -0.21 0.00 0.00 178.00 176.94 1bkj h TYR 231 N 0.16 -0.27 -0.78 0.65 3.20 -0.96 -0.50 116.97 118.48 1bkj h TYR 231 Ca 0.04 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1bkj h TYR 231 Cb 0.11 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 1bkj h TYR 231 CO 0.00 0.05 0.48 -0.07 -1.64 0.00 0.00 178.16 176.98 1bkj h LEU 232 N -0.60 0.75 -1.21 2.82 3.38 -0.99 -2.18 115.31 117.28 1bkj h LEU 232 Ca -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1bkj h LEU 232 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1bkj h LEU 232 CO 0.05 0.49 0.22 0.78 0.09 0.00 0.00 178.44 180.07 1bkj h ASN 233 N 0.89 0.70 0.83 -0.43 -0.26 -0.77 -0.06 115.58 116.48 1bkj h ASN 233 Ca 0.34 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 1bkj h ASN 233 Cb 0.13 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1bkj h ASN 233 CO -0.16 0.63 -0.02 0.77 -1.06 0.00 0.00 177.43 177.59 1bkj h SER 234 N 0.76 0.00 -0.18 5.81 4.64 -0.44 -1.37 113.55 122.77 1bkj h SER 234 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1bkj h SER 234 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1bkj h SER 234 CO -0.02 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1bkj n LYS 235 N -3.13 2.32 -0.65 4.77 4.76 -0.59 -4.95 118.16 120.68 1bkj n LYS 235 Ca -0.00 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 1bkj n LYS 235 Cb 0.27 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1bkj n LYS 235 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bkj n GLY 236 N 1.39 0.64 3.61 0.72 0.00 -0.51 -0.30 105.19 110.74 1bkj n GLY 236 Ca 0.17 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1bkj n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkj s LEU 237 N 0.00 3.16 -1.48 0.99 1.43 -0.14 -3.66 118.68 118.98 1bkj s LEU 237 Ca 0.00 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 1bkj s LEU 237 Cb 0.00 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1bkj s LEU 237 CO 0.00 0.14 0.90 0.00 0.23 0.00 0.00 176.35 177.62 1bkj n ALA 238 N 0.33 -1.47 0.09 4.21 0.00 -1.05 -2.70 120.51 119.93 1bkj n ALA 238 Ca -0.12 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1bkj n ALA 238 Cb 0.54 -3.83 -0.01 0.00 0.00 0.00 0.00 19.45 16.14 1bkj n ALA 238 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bkj h LYS 239 N -2.03 0.00 0.00 0.00 1.57 -1.30 -3.45 116.57 111.36 1bkj h LYS 239 Ca -0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1bkj h LYS 239 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1bkj h LYS 239 CO 0.65 0.09 0.00 2.89 -0.57 0.00 0.00 179.45 182.51