#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kaq s LYS 3 N 0.00 3.03 0.00 1.64 1.02 -1.26 -2.99 119.74 121.19 1kaq s LYS 3 Ca 0.00 1.55 0.08 0.00 0.02 0.00 0.00 55.97 57.62 1kaq s LYS 3 Cb 0.00 -4.33 -0.02 0.00 -0.52 0.00 0.00 37.83 32.96 1kaq s LYS 3 CO 0.00 -2.22 -0.24 0.42 -0.92 0.00 0.00 175.35 172.39 1kaq s ILE 4 N 8.30 2.25 -0.33 2.17 1.01 0.52 0.40 121.20 135.53 1kaq s ILE 4 Ca 0.88 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 1kaq s ILE 4 Cb -0.24 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.46 1kaq s ILE 4 CO 0.32 0.49 0.04 -0.83 0.00 0.00 0.00 174.94 174.96 1kaq s GLY 5 N -0.91 1.83 -0.06 6.18 0.00 -0.88 -1.45 107.32 112.03 1kaq s GLY 5 Ca 0.11 -2.06 -0.30 0.00 0.00 0.00 0.00 44.72 42.47 1kaq s GLY 5 CO 0.01 0.80 1.45 -0.42 0.00 0.00 0.00 173.10 174.93 1kaq s ILE 6 N 1.15 3.81 -0.70 0.90 1.01 0.94 -1.50 121.20 126.81 1kaq s ILE 6 Ca -0.00 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.75 1kaq s ILE 6 Cb -0.20 -3.70 0.17 0.00 0.01 0.00 0.00 42.46 38.74 1kaq s ILE 6 CO -0.03 -0.05 0.50 0.12 0.00 0.00 0.00 174.94 175.47 1kaq s PHE 7 N 3.18 3.54 0.37 3.97 5.36 0.14 -1.73 117.98 132.81 1kaq s PHE 7 Ca 0.65 -3.16 -0.24 0.00 -0.96 0.00 0.00 56.93 53.21 1kaq s PHE 7 Cb -0.30 -2.91 -0.10 0.00 -0.34 0.00 0.00 43.02 39.37 1kaq s PHE 7 CO 0.25 -0.66 0.97 0.20 -1.46 0.00 0.00 175.22 174.51 1kaq s GLY 8 N -0.67 2.67 -0.23 13.12 0.00 -1.26 -1.75 107.32 119.21 1kaq s GLY 8 Ca 0.23 0.53 -0.34 0.00 0.00 0.00 0.00 44.72 45.14 1kaq s GLY 8 CO -0.11 0.92 1.26 -0.32 0.00 0.00 0.00 173.10 174.86 1kaq s GLY 9 N -1.77 -0.17 0.28 0.20 0.00 -0.37 -4.90 107.32 100.59 1kaq s GLY 9 Ca 0.55 2.03 0.15 0.00 0.00 0.00 0.00 44.72 47.45 1kaq s GLY 9 CO 0.22 0.75 1.48 -0.91 0.00 0.00 0.00 173.10 174.64 1kaq h THR 10 N 2.07 0.99 -6.34 0.90 1.35 -1.94 -3.00 112.91 106.93 1kaq h THR 10 Ca -0.08 -2.25 -0.46 0.00 -0.55 0.00 0.00 66.41 63.06 1kaq h THR 10 Cb 1.16 2.39 0.06 0.00 -1.73 0.00 0.00 68.15 70.03 1kaq h THR 10 CO 0.23 0.54 -0.95 0.49 -0.25 0.00 0.00 175.52 175.58 1kaq n PHE 11 N -3.30 -1.82 -3.71 4.73 3.01 -1.26 -4.70 117.46 110.41 1kaq n PHE 11 Ca 0.01 0.42 -0.28 0.00 1.01 0.00 0.00 57.45 58.62 1kaq n PHE 11 Cb 0.72 -3.37 -0.11 0.00 -0.01 0.00 0.00 39.48 36.71 1kaq n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1kaq n ASP 12 N -2.63 2.84 -4.99 4.37 2.03 -1.26 -2.85 116.55 114.07 1kaq n ASP 12 Ca -0.11 -3.19 -0.20 0.00 0.52 0.00 0.00 54.79 51.80 1kaq n ASP 12 Cb 0.59 -0.72 0.07 0.00 -0.72 0.00 0.00 41.12 40.35 1kaq n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1kaq s PRO 13 N -1.60 2.15 0.28 -0.67 0.04 -1.26 -4.65 135.00 129.29 1kaq s PRO 13 Ca 0.30 -1.63 -0.28 0.00 0.04 0.00 0.00 61.00 59.42 1kaq s PRO 13 Cb 0.02 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1kaq s PRO 13 CO -0.13 -1.01 0.96 -2.14 0.04 0.00 0.00 177.00 174.72 1kaq s PRO 14 N -4.77 4.70 0.33 0.56 0.02 -1.13 -4.65 135.00 130.07 1kaq s PRO 14 Ca 0.63 1.45 0.04 0.00 0.02 0.00 0.00 61.00 63.14 1kaq s PRO 14 Cb -0.05 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.38 1kaq s PRO 14 CO 0.40 0.37 0.17 -3.38 -0.33 0.00 0.00 177.00 174.24 1kaq s HIS 15 N -1.37 1.68 0.37 6.54 -3.43 -1.26 -4.78 115.29 113.04 1kaq s HIS 15 Ca 0.46 -1.40 0.06 0.00 -0.80 0.00 0.00 55.06 53.38 1kaq s HIS 15 Cb -0.23 -0.91 0.77 0.00 -1.43 0.00 0.00 32.58 30.78 1kaq s HIS 15 CO 0.29 -0.52 1.99 -0.91 -2.00 0.00 0.00 174.74 173.58 1kaq h ASN 16 N 2.10 0.62 -0.40 7.38 2.35 -1.31 -1.60 115.58 124.72 1kaq h ASN 16 Ca -0.32 -0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.50 1kaq h ASN 16 Cb 1.25 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.39 1kaq h ASN 16 CO 0.50 0.41 -0.37 1.23 -1.65 0.00 0.00 177.43 177.56 1kaq h GLY 17 N 0.71 -0.38 0.29 2.83 0.00 -1.84 0.33 103.07 105.01 1kaq h GLY 17 Ca 0.27 0.47 0.02 0.00 0.00 0.00 0.00 47.33 48.09 1kaq h GLY 17 CO -0.08 -0.20 -0.40 0.45 0.00 0.00 0.00 176.54 176.31 1kaq h HIS 18 N -0.29 -1.11 -0.89 5.60 3.86 -1.64 -1.68 115.15 119.00 1kaq h HIS 18 Ca 0.16 0.03 0.20 0.00 -1.16 0.00 0.00 60.37 59.60 1kaq h HIS 18 Cb 0.56 0.47 -0.11 0.00 1.06 0.00 0.00 27.41 29.39 1kaq h HIS 18 CO -0.57 -0.49 0.43 -0.07 0.86 0.00 0.00 177.93 178.09 1kaq h LEU 19 N -0.61 0.43 -0.00 2.43 3.38 -0.79 -1.72 115.31 118.43 1kaq h LEU 19 Ca 0.03 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1kaq h LEU 19 Cb 0.65 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1kaq h LEU 19 CO -0.25 0.08 -0.00 0.25 0.09 0.00 0.00 178.44 178.62 1kaq h LEU 20 N 0.49 0.00 0.14 1.67 5.85 0.19 -2.20 115.31 121.46 1kaq h LEU 20 Ca 0.54 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1kaq h LEU 20 Cb 0.95 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1kaq h LEU 20 CO -0.47 0.48 -0.24 0.24 -0.34 0.00 0.00 178.44 178.11 1kaq h MET 21 N -0.48 -0.44 -0.31 1.25 2.86 -0.95 -0.14 114.93 116.72 1kaq h MET 21 Ca 0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1kaq h MET 21 Cb 0.48 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1kaq h MET 21 CO 0.00 -0.29 -0.02 0.00 1.06 0.00 0.00 176.91 177.66 1kaq h ALA 22 N 0.29 0.26 0.00 6.32 0.00 -1.41 0.40 119.26 125.12 1kaq h ALA 22 Ca 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1kaq h ALA 22 Cb 0.47 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1kaq h ALA 22 CO -0.12 -0.42 -0.16 -0.97 0.00 0.00 0.00 179.25 177.58 1kaq h ASN 23 N 0.06 0.00 0.01 0.00 -0.73 -1.10 0.88 115.58 114.71 1kaq h ASN 23 Ca 0.15 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.29 1kaq h ASN 23 Cb 0.21 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 1kaq h ASN 23 CO -0.27 0.16 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.46 1kaq h GLU 24 N 0.00 0.02 -0.37 6.67 4.39 0.10 -3.23 114.58 122.16 1kaq h GLU 24 Ca -0.00 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.71 1kaq h GLU 24 Cb 0.40 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1kaq h GLU 24 CO 0.02 1.02 0.06 0.28 -1.16 0.00 0.00 179.01 179.23 1kaq h VAL 25 N -0.95 0.79 -0.94 3.13 2.07 -0.07 -0.03 116.25 120.26 1kaq h VAL 25 Ca -0.04 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.62 1kaq h VAL 25 Cb 1.08 0.60 -0.18 0.00 -1.52 0.00 0.00 31.29 31.27 1kaq h VAL 25 CO -0.00 0.03 -0.21 -0.11 0.02 0.00 0.00 177.57 177.30 1kaq n LEU 26 N -5.11 -0.31 0.03 2.57 7.94 0.29 0.54 117.00 122.93 1kaq n LEU 26 Ca 0.02 1.61 -0.01 0.00 -1.11 0.00 0.00 56.01 56.52 1kaq n LEU 26 Cb 0.17 -0.50 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1kaq n LEU 26 CO 0.23 -1.56 0.13 0.22 -1.11 0.00 0.00 177.39 175.30 1kaq h TYR 27 N 0.00 -0.08 -0.95 1.96 3.20 -1.31 -0.25 116.97 119.53 1kaq h TYR 27 Ca 0.46 -0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.61 1kaq h TYR 27 Cb 0.74 0.03 -0.17 0.00 1.54 0.00 0.00 36.73 38.87 1kaq h TYR 27 CO -0.70 -0.05 0.15 0.37 -1.64 0.00 0.00 178.16 176.29 1kaq h GLN 28 N -0.29 0.06 -0.54 1.82 5.75 -0.50 0.96 115.11 122.37 1kaq h GLN 28 Ca -0.01 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1kaq h GLN 28 Cb 0.07 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1kaq h GLN 28 CO 0.02 0.04 0.00 0.00 -2.65 0.00 0.00 178.83 176.24 1kaq n ALA 29 N -2.90 2.74 -3.69 3.38 0.00 0.19 -4.93 120.51 115.30 1kaq n ALA 29 Ca 0.24 -0.83 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 1kaq n ALA 29 Cb 0.79 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1kaq n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kaq n GLY 30 N 0.84 -0.47 3.90 0.00 0.00 0.33 -4.95 105.19 104.83 1kaq n GLY 30 Ca 0.14 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 1kaq n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kaq s LEU 31 N -6.75 3.00 -0.12 0.99 1.43 -0.12 -4.93 118.68 112.18 1kaq s LEU 31 Ca 0.53 0.95 0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1kaq s LEU 31 Cb -0.29 -3.74 -0.24 0.00 0.03 0.00 0.00 46.19 41.95 1kaq s LEU 31 CO 0.66 -1.27 0.37 0.47 0.23 0.00 0.00 176.35 176.80 1kaq n ASP 32 N -2.87 0.88 -3.58 2.29 8.00 0.16 -4.80 116.55 116.63 1kaq n ASP 32 Ca 0.06 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.63 1kaq n ASP 32 Cb 0.58 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.73 1kaq n ASP 32 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1kaq s GLU 33 N -2.55 0.84 -0.13 -1.24 -1.05 -1.20 -4.89 118.70 108.48 1kaq s GLU 33 Ca -0.11 0.53 -0.05 0.00 -0.15 0.00 0.00 54.97 55.18 1kaq s GLU 33 Cb 0.07 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 1kaq s GLU 33 CO 0.80 -0.20 0.05 0.42 0.95 0.00 0.00 175.26 177.28 1kaq s ILE 34 N -0.48 4.71 -0.25 1.83 -1.09 -0.60 -2.08 121.20 123.24 1kaq s ILE 34 Ca -0.04 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 1kaq s ILE 34 Cb -0.02 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1kaq s ILE 34 CO 0.04 0.55 -0.01 0.26 -1.23 0.00 0.00 174.94 174.55 1kaq s TRP 35 N -0.42 3.04 -0.48 3.97 0.52 -0.56 -1.87 118.94 123.15 1kaq s TRP 35 Ca 0.09 -1.10 -0.26 0.00 0.02 0.00 0.00 56.10 54.85 1kaq s TRP 35 Cb -0.12 -2.14 0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1kaq s TRP 35 CO 0.02 -0.60 0.98 -0.06 0.02 0.00 0.00 176.95 177.31 1kaq s PHE 36 N 1.45 2.88 -0.42 -1.98 0.40 0.08 0.24 117.98 120.63 1kaq s PHE 36 Ca 0.03 0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 56.68 1kaq s PHE 36 Cb -0.16 -4.09 0.08 0.00 0.51 0.00 0.00 43.02 39.36 1kaq s PHE 36 CO -0.02 -1.18 0.26 1.41 0.70 0.00 0.00 175.22 176.40 1kaq s MET 37 N 3.95 2.61 0.27 0.44 1.75 -0.72 -2.71 119.30 124.89 1kaq s MET 37 Ca 0.39 -1.45 -0.27 0.00 -1.25 0.00 0.00 55.69 53.11 1kaq s MET 37 Cb -0.10 -3.78 -0.09 0.00 2.84 0.00 0.00 34.83 33.70 1kaq s MET 37 CO 0.27 -0.95 0.90 -2.14 -0.65 0.00 0.00 175.02 172.45 1kaq s PRO 38 N 1.43 4.65 0.61 4.11 0.02 -1.25 -1.23 135.00 143.34 1kaq s PRO 38 Ca 0.03 1.32 -0.14 0.00 0.02 0.00 0.00 61.00 62.24 1kaq s PRO 38 Cb -0.23 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1kaq s PRO 38 CO 0.02 0.41 1.04 -0.80 -0.33 0.00 0.00 177.00 177.34 1kaq s ASN 39 N -1.41 5.90 -0.04 2.53 0.01 -1.13 -4.45 114.94 116.34 1kaq s ASN 39 Ca 0.45 1.64 -0.03 0.00 -0.71 0.00 0.00 52.86 54.21 1kaq s ASN 39 Cb -0.22 -2.51 -0.27 0.00 0.41 0.00 0.00 41.25 38.66 1kaq s ASN 39 CO 0.27 -1.09 0.68 -0.61 -1.51 0.00 0.00 177.10 174.84 1kaq h GLN 40 N 0.06 0.25 -1.48 -0.60 4.15 -1.90 -3.46 115.11 112.13 1kaq h GLN 40 Ca -0.45 -0.42 0.03 0.00 0.77 0.00 0.00 58.65 58.57 1kaq h GLN 40 Cb 1.21 0.16 -0.23 0.00 0.21 0.00 0.00 27.48 28.82 1kaq h GLN 40 CO 0.59 1.10 -0.29 -1.50 -1.93 0.00 0.00 178.83 176.79 1kaq s ILE 41 N -2.59 -0.90 -1.57 2.39 2.07 -1.26 -4.85 121.20 114.49 1kaq s ILE 41 Ca -0.13 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1kaq s ILE 41 Cb 0.07 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.72 1kaq s ILE 41 CO 0.83 -0.02 0.70 0.47 -1.91 0.00 0.00 174.94 175.01 1kaq n ASP 52 N 5.42 0.00 0.00 4.50 8.00 -1.26 -2.31 116.55 130.90 1kaq n ASP 52 Ca -0.04 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1kaq n ASP 52 Cb 0.50 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1kaq n ASP 52 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1kaq n SER 53 N -1.20 0.00 -0.01 -2.24 2.88 -1.26 -4.66 113.62 107.13 1kaq n SER 53 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1kaq n SER 53 Cb 0.00 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.04 1kaq n SER 53 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1kaq h PHE 54 N 0.00 0.24 0.00 0.66 3.57 -1.97 0.22 116.94 119.66 1kaq h PHE 54 Ca 0.00 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1kaq h PHE 54 Cb 0.00 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1kaq h PHE 54 CO 0.00 0.12 -0.93 0.45 -2.23 0.00 0.00 178.31 175.71 1kaq h HIS 55 N 0.23 0.00 -0.21 0.41 3.86 -1.99 -2.01 115.15 115.44 1kaq h HIS 55 Ca 0.23 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 1kaq h HIS 55 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1kaq h HIS 55 CO -0.00 0.91 -0.42 0.00 0.86 0.00 0.00 177.93 179.27 1kaq h ARG 56 N 0.00 0.66 0.00 2.45 3.08 -1.30 -2.21 114.38 117.06 1kaq h ARG 56 Ca -0.02 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 1kaq h ARG 56 Cb 1.71 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 1kaq h ARG 56 CO 0.12 1.05 -0.31 0.28 -1.07 0.00 0.00 179.97 180.03 1kaq h VAL 57 N 0.35 0.88 -0.02 2.04 2.07 -0.70 -2.68 116.25 118.19 1kaq h VAL 57 Ca 0.01 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 1kaq h VAL 57 Cb 1.03 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1kaq h VAL 57 CO 0.09 0.31 -0.22 -0.33 0.02 0.00 0.00 177.57 177.44 1kaq h GLU 58 N 0.00 0.19 0.01 1.57 4.39 -1.23 -3.30 114.58 116.21 1kaq h GLU 58 Ca -0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1kaq h GLU 58 Cb 0.72 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1kaq h GLU 58 CO 0.04 0.87 -0.01 0.52 -1.16 0.00 0.00 179.01 179.26 1kaq h MET 59 N -0.42 -0.02 -6.49 2.33 2.86 -1.37 -3.38 114.93 108.45 1kaq h MET 59 Ca -0.02 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.02 1kaq h MET 59 Cb 0.93 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.71 1kaq h MET 59 CO 0.05 -0.01 0.09 1.28 1.06 0.00 0.00 176.91 179.37 1kaq n LEU 60 N -2.44 1.78 0.00 1.22 4.77 -1.01 -1.57 117.00 119.74 1kaq n LEU 60 Ca -0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1kaq n LEU 60 Cb 0.01 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1kaq n LEU 60 CO 0.00 -1.53 0.00 1.17 -1.33 0.00 0.00 177.39 175.70 1kaq n LYS 61 N 0.62 0.00 -4.46 3.23 4.81 -1.26 -4.74 118.16 116.36 1kaq n LYS 61 Ca 0.10 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.31 1kaq n LYS 61 Cb 0.34 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.28 1kaq n LYS 61 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1kaq s LEU 62 N 0.00 2.60 0.00 3.14 0.05 -0.61 -3.30 118.68 120.57 1kaq s LEU 62 Ca 0.00 -1.09 0.00 0.00 0.05 0.00 0.00 54.13 53.09 1kaq s LEU 62 Cb 0.00 -0.94 0.00 0.00 -2.05 0.00 0.00 46.19 43.20 1kaq s LEU 62 CO 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 176.35 175.69 1kaq n ALA 63 N -0.61 0.00 0.27 1.48 0.00 -1.26 -3.96 120.51 116.42 1kaq n ALA 63 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1kaq n ALA 63 Cb 0.61 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.29 1kaq n ALA 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1kaq n ILE 64 N 0.00 0.53 0.01 0.00 -5.35 -1.26 -4.09 119.36 109.20 1kaq n ILE 64 Ca 0.00 -0.77 -0.18 0.00 -0.27 0.00 0.00 62.75 61.54 1kaq n ILE 64 Cb 0.00 0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 38.73 1kaq n ILE 64 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1kaq h GLN 65 N 4.51 0.31 0.00 6.28 -0.00 -1.68 -3.26 115.11 121.27 1kaq h GLN 65 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1kaq h GLN 65 Cb 1.00 0.13 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1kaq h GLN 65 CO 0.00 1.11 0.00 0.66 -0.00 0.00 0.00 178.83 180.60 1kaq h SER 66 N -0.30 0.00 -3.59 0.06 4.64 -1.87 -3.42 113.55 109.07 1kaq h SER 66 Ca -0.08 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.54 1kaq h SER 66 Cb 1.34 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.22 1kaq h SER 66 CO 0.11 0.00 -0.47 0.21 -0.87 0.00 0.00 176.83 175.81 1kaq s ASN 67 N -5.25 5.97 0.38 4.97 3.04 -1.23 -4.96 114.94 117.85 1kaq s ASN 67 Ca 0.06 -0.74 0.06 0.00 0.04 0.00 0.00 52.86 52.28 1kaq s ASN 67 Cb 0.09 -2.11 0.78 0.00 -1.54 0.00 0.00 41.25 38.46 1kaq s ASN 67 CO 0.56 -0.35 1.99 -0.65 -3.04 0.00 0.00 177.10 175.61 1kaq h PRO 68 N 8.53 0.68 -0.00 0.43 0.11 -1.84 -1.62 132.00 138.29 1kaq h PRO 68 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1kaq h PRO 68 Cb 1.13 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1kaq h PRO 68 CO 0.68 0.45 -0.00 0.43 -0.21 0.00 0.00 178.00 179.34 1kaq n SER 69 N -4.47 0.15 -4.65 -2.05 7.64 -1.26 -4.75 113.62 104.23 1kaq n SER 69 Ca 0.08 -0.93 -0.35 0.00 1.01 0.00 0.00 58.87 58.69 1kaq n SER 69 Cb 0.18 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.25 1kaq n SER 69 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1kaq s PHE 70 N -2.09 3.27 0.00 1.43 2.99 -0.61 -1.56 117.98 121.41 1kaq s PHE 70 Ca 0.44 0.10 0.02 0.00 0.00 0.00 0.00 56.93 57.50 1kaq s PHE 70 Cb 0.22 -2.08 -0.01 0.00 0.00 0.00 0.00 43.02 41.15 1kaq s PHE 70 CO 0.38 0.18 -0.07 0.15 -0.00 0.00 0.00 175.22 175.86 1kaq s LYS 71 N 0.32 0.58 0.58 0.44 1.02 -0.78 -4.87 119.74 117.03 1kaq s LYS 71 Ca 0.04 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 55.60 1kaq s LYS 71 Cb -0.12 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1kaq s LYS 71 CO -0.00 0.14 0.96 -1.17 -0.92 0.00 0.00 175.35 174.37 1kaq s LEU 72 N -0.37 3.33 -0.29 3.17 0.20 -1.26 -0.74 118.68 122.72 1kaq s LEU 72 Ca 0.01 1.26 0.02 0.00 0.69 0.00 0.00 54.13 56.11 1kaq s LEU 72 Cb -0.04 -4.27 0.18 0.00 -0.43 0.00 0.00 46.19 41.64 1kaq s LEU 72 CO -0.00 -0.81 0.55 -1.61 -0.29 0.00 0.00 176.35 174.18 1kaq s GLU 73 N -5.06 0.52 -0.41 1.98 0.41 -1.10 -4.81 118.70 110.23 1kaq s GLU 73 Ca 0.53 0.66 0.02 0.00 -0.41 0.00 0.00 54.97 55.77 1kaq s GLU 73 Cb -0.11 0.21 0.46 0.00 -1.78 0.00 0.00 34.13 32.91 1kaq s GLU 73 CO 0.51 -0.84 1.82 1.28 -0.49 0.00 0.00 175.26 177.54 1kaq n LEU 74 N 5.41 6.34 -0.04 1.80 4.77 -1.26 -4.15 117.00 129.87 1kaq n LEU 74 Ca 0.01 -3.39 0.03 0.00 -0.03 0.00 0.00 56.01 52.63 1kaq n LEU 74 Cb 0.52 -0.85 0.37 0.00 -2.33 0.00 0.00 43.42 41.13 1kaq n LEU 74 CO -0.01 1.08 1.14 1.62 -1.33 0.00 0.00 177.39 179.89 1kaq h VAL 75 N 0.85 1.13 0.00 4.08 3.04 -1.96 -1.46 116.25 121.93 1kaq h VAL 75 Ca 0.49 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1kaq h VAL 75 Cb 1.91 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1kaq h VAL 75 CO 0.99 0.14 0.00 -0.33 -1.01 0.00 0.00 177.57 177.36 1kaq h GLU 76 N 0.63 0.00 -0.00 4.17 5.08 -1.81 -2.87 114.58 119.78 1kaq h GLU 76 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1kaq h GLU 76 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1kaq h GLU 76 CO -0.03 0.00 -0.07 -1.33 -1.00 0.00 0.00 179.01 176.58 1kaq n MET 77 N -3.08 0.36 0.00 2.33 2.81 -0.58 -3.23 117.12 115.72 1kaq n MET 77 Ca 0.03 -0.06 0.13 0.00 -1.81 0.00 0.00 57.70 55.99 1kaq n MET 77 Cb 0.49 -1.50 0.49 0.00 -0.71 0.00 0.00 33.22 31.99 1kaq n MET 77 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1kaq n GLU 78 N -1.26 0.01 0.00 0.03 2.13 -1.01 -4.85 120.64 115.68 1kaq n GLU 78 Ca 0.12 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1kaq n GLU 78 Cb 0.28 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1kaq n GLU 78 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1kaq n ARG 79 N -1.49 0.46 0.00 5.31 1.74 -1.20 -5.13 116.66 116.34 1kaq n ARG 79 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1kaq n ARG 79 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 1kaq n ARG 79 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1kaq n GLU 80 N 0.00 0.00 0.00 5.56 2.13 -1.26 -5.16 120.64 121.91 1kaq n GLU 80 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1kaq n GLU 80 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1kaq n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kaq n GLY 81 N 0.00 0.78 3.72 8.31 0.00 -1.26 -5.06 105.19 111.68 1kaq n GLY 81 Ca 0.00 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1kaq n GLY 81 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kaq s PRO 82 N -0.98 4.28 -0.96 1.61 0.02 -1.26 -4.50 135.00 133.21 1kaq s PRO 82 Ca 0.00 2.19 -0.23 0.00 0.02 0.00 0.00 61.00 62.98 1kaq s PRO 82 Cb 0.00 -3.20 0.05 0.00 0.02 0.00 0.00 34.50 31.37 1kaq s PRO 82 CO 0.00 -0.50 1.39 -1.12 -0.33 0.00 0.00 177.00 176.44 1kaq s SER 83 N 1.08 6.44 -0.19 2.53 0.01 -0.98 -4.98 113.70 117.61 1kaq s SER 83 Ca 0.66 -1.31 -0.18 0.00 1.31 0.00 0.00 55.95 56.44 1kaq s SER 83 Cb -0.40 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.24 1kaq s SER 83 CO 0.31 -1.54 0.48 -0.31 0.41 0.00 0.00 173.24 172.59 1kaq s TYR 84 N 4.94 3.39 0.30 2.43 4.12 -1.26 -4.98 117.35 126.28 1kaq s TYR 84 Ca 0.43 0.73 0.04 0.00 0.02 0.00 0.00 57.07 58.29 1kaq s TYR 84 Cb -0.02 -2.61 0.67 0.00 -1.52 0.00 0.00 41.96 38.47 1kaq s TYR 84 CO -0.05 -0.05 1.82 1.15 0.02 0.00 0.00 175.55 178.44 1kaq h THR 85 N 5.06 0.82 0.45 -0.71 2.02 -1.94 -2.09 112.91 116.52 1kaq h THR 85 Ca -0.35 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1kaq h THR 85 Cb 1.16 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1kaq h THR 85 CO 0.73 0.16 -0.46 0.15 0.37 0.00 0.00 175.52 176.47 1kaq h PHE 86 N 0.86 -1.28 -0.69 3.16 3.57 -1.91 0.28 116.94 120.93 1kaq h PHE 86 Ca 0.53 0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.16 1kaq h PHE 86 Cb 0.69 0.50 -0.09 0.00 2.79 0.00 0.00 35.95 39.85 1kaq h PHE 86 CO -0.00 -0.62 0.23 -0.44 -2.23 0.00 0.00 178.31 175.24 1kaq h ASP 87 N -0.93 0.17 0.21 0.41 3.45 -1.78 0.23 116.42 118.18 1kaq h ASP 87 Ca -0.05 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 1kaq h ASP 87 Cb 0.82 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 1kaq h ASP 87 CO -0.07 0.07 -0.10 0.74 -1.57 0.00 0.00 179.24 178.31 1kaq h THR 88 N 0.37 0.87 -0.70 0.35 2.02 -1.06 -1.61 112.91 113.15 1kaq h THR 88 Ca 0.37 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 67.10 1kaq h THR 88 Cb 0.54 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1kaq h THR 88 CO -0.39 0.12 0.33 0.58 0.37 0.00 0.00 175.52 176.53 1kaq h VAL 89 N -0.57 0.82 -0.06 3.16 2.07 -0.04 0.30 116.25 121.92 1kaq h VAL 89 Ca -0.03 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1kaq h VAL 89 Cb 0.42 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1kaq h VAL 89 CO 0.05 0.10 -0.50 0.28 0.02 0.00 0.00 177.57 177.52 1kaq h SER 90 N 0.56 -1.58 -0.54 0.57 0.02 -0.32 -0.46 113.55 111.79 1kaq h SER 90 Ca 0.35 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.54 1kaq h SER 90 Cb 0.40 0.61 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 1kaq h SER 90 CO -0.29 -0.47 0.26 0.25 -1.14 0.00 0.00 176.83 175.44 1kaq h LEU 91 N -0.59 0.35 -0.30 5.07 5.85 -0.29 -3.04 115.31 122.35 1kaq h LEU 91 Ca 0.02 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1kaq h LEU 91 Cb 0.65 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1kaq h LEU 91 CO -0.37 0.23 0.04 -0.07 -0.34 0.00 0.00 178.44 177.93 1kaq h LEU 92 N 0.49 -0.03 -2.51 2.25 3.38 0.39 -1.33 115.31 117.94 1kaq h LEU 92 Ca 0.25 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1kaq h LEU 92 Cb 0.19 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1kaq h LEU 92 CO -0.19 0.02 -0.00 0.11 0.09 0.00 0.00 178.44 178.46 1kaq h LYS 93 N 0.14 0.00 0.04 1.13 1.57 -1.00 -0.59 116.57 117.87 1kaq h LYS 93 Ca 0.14 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 1kaq h LYS 93 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.49 1kaq h LYS 93 CO -0.21 0.00 -0.68 0.37 -0.57 0.00 0.00 179.45 178.37 1kaq h GLN 94 N 0.00 0.39 -0.61 3.15 4.15 -1.23 -3.01 115.11 117.96 1kaq h GLN 94 Ca -0.00 -0.47 -0.09 0.00 0.77 0.00 0.00 58.65 58.86 1kaq h GLN 94 Cb 0.01 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1kaq h GLN 94 CO 0.00 1.15 0.02 0.00 -1.93 0.00 0.00 178.83 178.07 1kaq h ARG 95 N -0.16 1.06 -3.06 1.69 3.08 -0.51 -3.34 114.38 113.13 1kaq h ARG 95 Ca -0.10 -0.33 -0.62 0.00 0.07 0.00 0.00 59.98 59.01 1kaq h ARG 95 Cb 1.42 -0.10 -0.42 0.00 0.08 0.00 0.00 29.97 30.95 1kaq h ARG 95 CO 0.13 1.02 -0.59 0.71 -1.07 0.00 0.00 179.97 180.17 1kaq s TYR 96 N -5.06 3.46 -0.62 3.04 1.51 -0.32 -4.91 117.35 114.44 1kaq s TYR 96 Ca -0.12 -3.29 0.26 0.00 -1.01 0.00 0.00 57.07 52.90 1kaq s TYR 96 Cb 0.13 -2.63 0.75 0.00 -0.11 0.00 0.00 41.96 40.10 1kaq s TYR 96 CO 0.85 -0.56 1.74 -1.35 -1.11 0.00 0.00 175.55 175.13 1kaq h PRO 97 N 5.43 0.00 -0.41 -1.71 0.11 -1.66 -3.27 132.00 130.48 1kaq h PRO 97 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1kaq h PRO 97 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1kaq h PRO 97 CO 0.70 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.58 1kaq n ASN 98 N -2.46 3.28 -4.44 -2.05 4.13 -1.26 -4.94 115.26 107.52 1kaq n ASN 98 Ca 0.05 -1.94 -0.33 0.00 1.68 0.00 0.00 54.58 54.04 1kaq n ASN 98 Cb 0.43 -0.27 -0.13 0.00 -1.54 0.00 0.00 39.78 38.27 1kaq n ASN 98 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1kaq s ASP 99 N -1.21 4.28 -0.11 6.41 1.01 -1.23 -4.18 116.67 121.63 1kaq s ASP 99 Ca 0.34 -0.23 -0.29 0.00 0.71 0.00 0.00 52.55 53.08 1kaq s ASP 99 Cb 0.19 -1.51 -0.04 0.00 1.01 0.00 0.00 42.92 42.58 1kaq s ASP 99 CO 0.26 0.21 1.60 -1.58 0.21 0.00 0.00 175.17 175.87 1kaq s GLN 100 N 0.08 4.08 -0.10 8.23 0.74 -1.16 -4.93 119.66 126.61 1kaq s GLN 100 Ca -0.04 1.98 0.01 0.00 0.05 0.00 0.00 55.36 57.36 1kaq s GLN 100 Cb -0.14 -3.97 -0.02 0.00 1.10 0.00 0.00 33.01 29.97 1kaq s GLN 100 CO 0.04 -0.96 -0.11 -0.51 -0.55 0.00 0.00 175.29 173.21 1kaq s LEU 101 N 4.31 2.90 0.15 3.68 1.43 -1.26 -0.35 118.68 129.54 1kaq s LEU 101 Ca 0.71 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 1kaq s LEU 101 Cb -0.30 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1kaq s LEU 101 CO 0.27 0.26 -0.12 -0.36 0.23 0.00 0.00 176.35 176.63 1kaq s PHE 102 N -0.22 1.38 0.02 0.29 0.40 -0.53 -4.17 117.98 115.17 1kaq s PHE 102 Ca 0.02 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1kaq s PHE 102 Cb -0.13 -0.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.67 1kaq s PHE 102 CO 0.03 0.15 -0.17 0.12 0.70 0.00 0.00 175.22 176.05 1kaq s PHE 103 N -2.83 2.60 -0.16 0.36 5.36 -0.13 -0.04 117.98 123.14 1kaq s PHE 103 Ca 0.15 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 1kaq s PHE 103 Cb -0.01 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.19 1kaq s PHE 103 CO 0.03 0.25 -0.18 0.42 -1.46 0.00 0.00 175.22 174.27 1kaq s ILE 104 N -0.90 1.86 0.14 3.12 1.01 -0.71 0.46 121.20 126.19 1kaq s ILE 104 Ca 0.14 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1kaq s ILE 104 Cb -0.11 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1kaq s ILE 104 CO 0.05 0.51 -0.11 0.27 0.00 0.00 0.00 174.94 175.66 1kaq s ILE 105 N 1.30 1.18 0.41 2.92 -4.36 -0.48 -4.50 121.20 117.66 1kaq s ILE 105 Ca 0.03 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 1kaq s ILE 105 Cb -0.13 -1.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 1kaq s ILE 105 CO -0.11 -0.70 0.43 -0.83 0.24 0.00 0.00 174.94 173.98 1kaq s GLY 106 N -3.05 2.02 0.57 6.27 0.00 -1.26 -2.68 107.32 109.20 1kaq s GLY 106 Ca 0.15 -1.78 0.17 0.00 0.00 0.00 0.00 44.72 43.25 1kaq s GLY 106 CO 0.01 -1.61 1.47 0.00 0.00 0.00 0.00 173.10 172.97 1kaq h ALA 107 N 0.93 1.50 0.37 3.20 0.00 -1.87 -0.88 119.26 122.50 1kaq h ALA 107 Ca -0.41 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1kaq h ALA 107 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1kaq h ALA 107 CO 0.54 -0.50 -0.18 0.38 0.00 0.00 0.00 179.25 179.49 1kaq h ASP 108 N 0.00 -0.42 -0.77 0.00 3.04 -1.91 -3.13 116.42 113.22 1kaq h ASP 108 Ca 0.00 0.01 -0.05 0.00 -3.24 0.00 0.00 57.03 53.75 1kaq h ASP 108 Cb 1.07 0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 39.44 1kaq h ASP 108 CO 0.00 -0.15 0.28 0.24 -2.04 0.00 0.00 179.24 177.56 1kaq h MET 109 N -0.79 1.18 -0.96 4.15 2.86 -1.60 -2.51 114.93 117.25 1kaq h MET 109 Ca -0.05 -0.24 0.25 0.00 -2.06 0.00 0.00 59.70 57.61 1kaq h MET 109 Cb 0.38 -0.18 -0.13 0.00 0.06 0.00 0.00 31.60 31.73 1kaq h MET 109 CO 0.08 0.98 0.51 0.82 1.06 0.00 0.00 176.91 180.36 1kaq h ILE 110 N 1.14 0.46 -0.09 -1.22 2.04 -1.32 2.30 117.51 120.83 1kaq h ILE 110 Ca 0.25 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1kaq h ILE 110 Cb 0.27 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1kaq h ILE 110 CO -0.01 0.08 -0.19 -0.33 0.00 0.00 0.00 178.15 177.70 1kaq h GLU 111 N 0.46 0.14 0.00 2.37 5.08 -1.39 -2.80 114.58 118.44 1kaq h GLU 111 Ca 0.63 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1kaq h GLU 111 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1kaq h GLU 111 CO -0.52 0.34 -0.12 0.98 -1.00 0.00 0.00 179.01 178.68 1kaq n TYR 112 N -4.25 0.81 -0.34 4.33 4.19 0.75 -4.42 117.16 118.24 1kaq n TYR 112 Ca -0.01 0.23 0.04 0.00 3.31 0.00 0.00 57.90 61.47 1kaq n TYR 112 Cb 0.29 -0.86 0.10 0.00 0.49 0.00 0.00 39.34 39.37 1kaq n TYR 112 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1kaq n LEU 113 N -2.19 -0.41 -0.02 2.98 4.32 0.13 -1.20 117.00 120.62 1kaq n LEU 113 Ca 0.05 1.59 -0.15 0.00 -0.02 0.00 0.00 56.01 57.48 1kaq n LEU 113 Cb 0.43 -0.44 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 1kaq n LEU 113 CO 0.31 -1.49 0.52 1.55 -1.22 0.00 0.00 177.39 177.06 1kaq h PRO 114 N 0.00 -0.53 -6.26 3.23 0.13 -1.84 -3.18 132.00 123.55 1kaq h PRO 114 Ca 0.40 0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 65.04 1kaq h PRO 114 Cb 0.63 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.82 1kaq h PRO 114 CO -0.94 -0.36 1.16 0.15 -0.23 0.00 0.00 178.00 177.79 1kaq s LYS 115 N -5.73 3.05 -0.30 0.86 1.02 -0.34 -4.82 119.74 113.48 1kaq s LYS 115 Ca -0.15 0.21 -0.21 0.00 0.02 0.00 0.00 55.97 55.84 1kaq s LYS 115 Cb 0.08 -4.23 0.20 0.00 -0.52 0.00 0.00 37.83 33.36 1kaq s LYS 115 CO 0.62 -2.27 1.34 -0.46 -0.92 0.00 0.00 175.35 173.66 1kaq s TRP 116 N 6.83 -0.08 -0.43 3.18 -0.11 -1.20 -4.87 118.94 122.26 1kaq s TRP 116 Ca 0.49 0.17 -0.28 0.00 1.22 0.00 0.00 56.10 57.71 1kaq s TRP 116 Cb -0.10 0.27 -0.00 0.00 -1.50 0.00 0.00 33.47 32.13 1kaq s TRP 116 CO 0.19 -0.04 1.60 -0.47 -4.62 0.00 0.00 176.95 173.62 1kaq s TYR 117 N 0.54 2.09 -0.83 5.86 5.04 -1.26 -3.86 117.35 124.93 1kaq s TYR 117 Ca -0.00 0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 55.21 1kaq s TYR 117 Cb -0.04 -4.24 0.01 0.00 0.35 0.00 0.00 41.96 38.04 1kaq s TYR 117 CO -0.13 -2.36 0.72 1.63 -1.34 0.00 0.00 175.55 174.07 1kaq n LYS 118 N 8.43 -4.84 -0.03 4.97 5.02 -1.26 -4.47 118.16 125.99 1kaq n LYS 118 Ca 0.19 0.50 -0.08 0.00 -2.02 0.00 0.00 58.31 56.89 1kaq n LYS 118 Cb 0.48 -4.56 -0.02 0.00 -0.02 0.00 0.00 35.03 30.91 1kaq n LYS 118 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1kaq h LEU 119 N -1.64 -0.51 -1.79 -0.35 5.85 -1.89 -1.42 115.31 113.56 1kaq h LEU 119 Ca -0.35 0.10 0.29 0.00 0.84 0.00 0.00 57.88 58.76 1kaq h LEU 119 Cb 1.22 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 1kaq h LEU 119 CO 0.34 -0.20 0.72 0.44 -0.34 0.00 0.00 178.44 179.40 1kaq h ASP 120 N -0.17 0.15 0.52 1.25 3.32 -1.93 0.34 116.42 119.90 1kaq h ASP 120 Ca 0.12 0.03 -0.29 0.00 0.02 0.00 0.00 57.03 56.90 1kaq h ASP 120 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1kaq h ASP 120 CO -0.29 0.04 -1.60 -0.33 -1.72 0.00 0.00 179.24 175.33 1kaq h GLU 121 N 0.14 0.07 -0.08 3.56 3.07 -1.74 -3.31 114.58 116.29 1kaq h GLU 121 Ca 0.52 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1kaq h GLU 121 Cb 1.81 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.76 1kaq h GLU 121 CO -0.10 0.76 -0.12 1.25 -1.40 0.00 0.00 179.01 179.40 1kaq h LEU 122 N 0.02 0.24 -1.72 1.33 5.85 0.04 -2.87 115.31 118.20 1kaq h LEU 122 Ca -0.25 -0.53 0.21 0.00 0.84 0.00 0.00 57.88 58.15 1kaq h LEU 122 Cb 1.98 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.89 1kaq h LEU 122 CO 0.10 0.72 0.58 -0.07 -0.34 0.00 0.00 178.44 179.44 1kaq h LEU 123 N -0.23 0.23 -0.89 2.25 3.38 -0.59 1.02 115.31 120.49 1kaq h LEU 123 Ca 0.01 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1kaq h LEU 123 Cb 0.67 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1kaq h LEU 123 CO 0.03 0.09 -0.53 -1.13 0.09 0.00 0.00 178.44 176.99 1kaq h ASN 124 N 0.23 0.08 0.05 -0.43 -0.73 -1.61 -3.29 115.58 109.88 1kaq h ASN 124 Ca 0.43 -0.04 -0.09 0.00 1.87 0.00 0.00 56.30 58.47 1kaq h ASN 124 Cb 1.31 -0.02 0.01 0.00 0.27 0.00 0.00 38.32 39.88 1kaq h ASN 124 CO -0.10 0.59 -0.38 -0.07 -0.37 0.00 0.00 177.43 177.10 1kaq h LEU 125 N 0.06 0.25 -8.23 0.34 3.38 0.12 -3.48 115.31 107.75 1kaq h LEU 125 Ca -0.00 -0.91 -0.25 0.00 0.09 0.00 0.00 57.88 56.80 1kaq h LEU 125 Cb 0.95 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.43 1kaq h LEU 125 CO 0.07 1.14 -0.72 -0.51 0.09 0.00 0.00 178.44 178.51 1kaq s ILE 126 N -2.58 0.55 -0.07 1.22 2.07 -0.32 -5.06 121.20 117.00 1kaq s ILE 126 Ca -0.16 -1.31 -0.23 0.00 -1.41 0.00 0.00 60.65 57.53 1kaq s ILE 126 Cb -0.00 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 1kaq s ILE 126 CO 0.76 -0.53 0.71 -1.10 -1.91 0.00 0.00 174.94 172.87 1kaq s GLN 127 N -2.22 4.43 0.32 3.50 -0.21 -1.26 -4.43 119.66 119.78 1kaq s GLN 127 Ca -0.04 0.88 -0.14 0.00 0.02 0.00 0.00 55.36 56.08 1kaq s GLN 127 Cb -0.06 -3.46 -0.09 0.00 1.00 0.00 0.00 33.01 30.41 1kaq s GLN 127 CO -0.01 0.04 0.72 -0.06 -2.12 0.00 0.00 175.29 173.85 1kaq s PHE 128 N 0.90 3.38 -0.11 0.91 0.40 -1.26 -0.96 117.98 121.24 1kaq s PHE 128 Ca 0.37 1.17 -0.00 0.00 -0.60 0.00 0.00 56.93 57.87 1kaq s PHE 128 Cb -0.18 -2.50 0.02 0.00 0.51 0.00 0.00 43.02 40.88 1kaq s PHE 128 CO 0.18 0.10 -0.07 0.42 0.70 0.00 0.00 175.22 176.55 1kaq s ILE 129 N -1.98 0.97 0.23 0.64 1.01 0.17 -1.78 121.20 120.47 1kaq s ILE 129 Ca 0.53 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1kaq s ILE 129 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1kaq s ILE 129 CO 0.18 0.36 0.36 -0.83 0.00 0.00 0.00 174.94 175.01 1kaq s GLY 130 N 1.69 1.25 0.02 6.18 0.00 0.10 -1.38 107.32 115.18 1kaq s GLY 130 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1kaq s GLY 130 CO -0.08 -1.23 0.00 -0.62 0.00 0.00 0.00 173.10 171.17 1kaq n VAL 131 N -1.35 0.26 0.00 1.40 0.31 -1.09 -2.03 118.33 115.82 1kaq n VAL 131 Ca -0.09 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kaq n VAL 131 Cb 0.57 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1kaq n VAL 131 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1kaq n LYS 132 N -2.71 0.00 -4.09 5.55 4.81 -1.26 -4.59 118.16 115.86 1kaq n LYS 132 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1kaq n LYS 132 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1kaq n LYS 132 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1kaq s ARG 133 N -3.48 2.73 0.03 1.64 3.52 -1.26 -4.72 118.95 117.41 1kaq s ARG 133 Ca 0.00 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 1kaq s ARG 133 Cb 0.00 -2.62 -0.06 0.00 -1.56 0.00 0.00 34.95 30.71 1kaq s ARG 133 CO 0.00 0.54 1.32 -2.14 -0.81 0.00 0.00 175.30 174.21 1kaq s PRO 134 N -2.50 4.33 0.00 5.12 0.02 -1.26 -2.89 135.00 137.81 1kaq s PRO 134 Ca 0.28 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1kaq s PRO 134 Cb -0.11 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1kaq s PRO 134 CO 0.21 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1kaq n GLY 135 N 3.48 1.98 3.60 0.52 0.00 -1.26 -4.82 105.19 108.69 1kaq n GLY 135 Ca 0.11 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1kaq n GLY 135 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kaq n PHE 136 N 0.00 -0.72 -3.66 1.61 3.01 -1.14 -5.12 117.46 111.44 1kaq n PHE 136 Ca 0.00 -2.19 -0.11 0.00 1.01 0.00 0.00 57.45 56.16 1kaq n PHE 136 Cb 0.00 -0.43 -0.08 0.00 -0.01 0.00 0.00 39.48 38.96 1kaq n PHE 136 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1kaq s HIS 137 N -2.57 -0.81 0.10 1.38 2.46 -1.26 -4.71 115.29 109.88 1kaq s HIS 137 Ca 0.31 1.81 -0.28 0.00 0.47 0.00 0.00 55.06 57.37 1kaq s HIS 137 Cb -0.02 0.37 -0.06 0.00 -0.13 0.00 0.00 32.58 32.74 1kaq s HIS 137 CO 0.20 -0.40 0.87 0.54 -2.47 0.00 0.00 174.74 173.48 1kaq s VAL 138 N 0.86 4.56 0.00 0.89 0.11 -1.26 -4.69 120.40 120.87 1kaq s VAL 138 Ca -0.04 1.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 1kaq s VAL 138 Cb -0.05 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.57 1kaq s VAL 138 CO -0.07 0.36 0.00 -0.62 -3.33 0.00 0.00 175.10 171.44 1kaq n GLU 139 N 2.63 0.00 0.00 1.54 1.02 -1.26 -5.14 120.64 119.43 1kaq n GLU 139 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1kaq n GLU 139 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1kaq n GLU 139 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kaq n THR 140 N -0.03 0.00 -1.34 2.62 -2.24 -1.26 -4.86 114.28 107.17 1kaq n THR 140 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1kaq n THR 140 Cb 0.00 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.42 1kaq n THR 140 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1kaq n PRO 141 N 0.00 2.06 -4.44 -0.78 -0.04 -1.26 -4.98 135.00 125.56 1kaq n PRO 141 Ca 0.00 -3.10 -0.25 0.00 -0.04 0.00 0.00 63.50 60.10 1kaq n PRO 141 Cb 0.00 -2.01 -0.11 0.00 -0.04 0.00 0.00 33.50 31.35 1kaq n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1kaq s TYR 142 N -3.28 2.31 -0.22 0.54 2.02 -1.26 -5.08 117.35 112.38 1kaq s TYR 142 Ca 0.51 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.58 1kaq s TYR 142 Cb 0.45 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1kaq s TYR 142 CO 0.05 0.62 1.61 -1.25 -1.57 0.00 0.00 175.55 175.01 1kaq s PRO 143 N -3.12 3.80 -0.07 -1.71 0.04 -1.26 -4.96 135.00 127.72 1kaq s PRO 143 Ca 0.26 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 1kaq s PRO 143 Cb -0.06 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.47 1kaq s PRO 143 CO 0.13 -1.29 0.32 -1.17 0.04 0.00 0.00 177.00 175.03 1kaq s LEU 144 N 5.17 0.80 0.18 -3.56 0.20 -1.26 -4.46 118.68 115.74 1kaq s LEU 144 Ca 0.71 0.36 0.06 0.00 0.69 0.00 0.00 54.13 55.95 1kaq s LEU 144 Cb -0.25 1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 46.68 1kaq s LEU 144 CO 0.29 -0.29 0.09 -0.76 -0.29 0.00 0.00 176.35 175.39 1kaq s LEU 145 N -0.62 3.62 0.30 -0.68 1.43 -0.73 -4.95 118.68 117.04 1kaq s LEU 145 Ca -0.07 -0.25 0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1kaq s LEU 145 Cb -0.04 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1kaq s LEU 145 CO 0.02 0.06 -0.16 -0.36 0.23 0.00 0.00 176.35 176.14 1kaq s PHE 146 N -1.80 2.34 -0.02 0.29 0.08 -1.26 0.03 117.98 117.63 1kaq s PHE 146 Ca 0.30 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1kaq s PHE 146 Cb -0.09 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.28 1kaq s PHE 146 CO 0.22 0.68 0.01 0.00 -0.10 0.00 0.00 175.22 176.03 1kaq s ALA 147 N -2.53 0.19 -0.09 5.36 0.00 -0.86 -4.90 121.76 118.93 1kaq s ALA 147 Ca 0.31 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 1kaq s ALA 147 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1kaq s ALA 147 CO 0.16 -0.08 1.37 -0.51 0.00 0.00 0.00 175.76 176.69 1kaq s ASP 148 N 0.99 6.88 -0.05 0.00 1.11 -1.26 -4.54 116.67 119.80 1kaq s ASP 148 Ca -0.09 1.92 -0.02 0.00 0.18 0.00 0.00 52.55 54.54 1kaq s ASP 148 Cb -0.13 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.35 1kaq s ASP 148 CO -0.02 -0.76 0.08 -0.69 1.18 0.00 0.00 175.17 174.96 1kaq s VAL 149 N 3.19 -0.11 -0.32 -1.27 1.01 -1.26 -4.90 120.40 116.74 1kaq s VAL 149 Ca 0.61 0.31 -0.42 0.00 0.00 0.00 0.00 61.98 62.47 1kaq s VAL 149 Cb -0.27 -0.17 -0.17 0.00 0.00 0.00 0.00 36.38 35.77 1kaq s VAL 149 CO 0.21 0.13 1.64 -2.65 0.00 0.00 0.00 175.10 174.43 1kaq n PRO 150 N 4.76 0.69 -1.82 2.72 -0.02 -1.26 -4.86 135.00 135.21 1kaq n PRO 150 Ca -0.15 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1kaq n PRO 150 Cb 0.50 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1kaq n PRO 150 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1kaq s GLU 151 N 2.99 4.13 -0.28 -0.52 2.02 -1.26 -4.98 118.70 120.80 1kaq s GLU 151 Ca 1.00 2.55 -0.02 0.00 0.02 0.00 0.00 54.97 58.52 1kaq s GLU 151 Cb -1.23 -2.98 0.12 0.00 0.10 0.00 0.00 34.13 30.14 1kaq s GLU 151 CO 0.70 -0.52 0.23 0.12 0.02 0.00 0.00 175.26 175.81 1kaq s PHE 152 N -1.00 -0.18 -1.09 1.61 5.99 -1.26 -4.98 117.98 117.07 1kaq s PHE 152 Ca 0.54 -0.39 -0.23 0.00 0.00 0.00 0.00 56.93 56.84 1kaq s PHE 152 Cb -0.46 -0.61 -0.11 0.00 0.00 0.00 0.00 43.02 41.84 1kaq s PHE 152 CO 0.61 -0.87 1.93 -1.91 -0.00 0.00 0.00 175.22 174.98 1kaq n GLU 153 N 5.29 1.49 -3.66 10.12 2.13 -1.26 -4.65 120.64 130.09 1kaq n GLU 153 Ca -0.04 -2.30 -0.15 0.00 0.66 0.00 0.00 57.16 55.33 1kaq n GLU 153 Cb 0.45 -3.57 -0.14 0.00 0.27 0.00 0.00 31.44 28.45 1kaq n GLU 153 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1kaq s VAL 154 N 10.15 -0.35 0.21 6.31 0.11 -1.26 -5.09 120.40 130.49 1kaq s VAL 154 Ca 0.67 0.31 0.10 0.00 -2.93 0.00 0.00 61.98 60.13 1kaq s VAL 154 Cb 0.02 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1kaq s VAL 154 CO 0.14 0.13 -0.18 -0.94 -3.33 0.00 0.00 175.10 170.92 1kaq s SER 155 N 2.36 2.99 0.16 3.54 1.04 -1.26 -4.71 113.70 117.82 1kaq s SER 155 Ca 0.02 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 1kaq s SER 155 Cb -0.12 -0.20 0.04 0.00 0.10 0.00 0.00 66.02 65.84 1kaq s SER 155 CO -0.07 -0.04 1.73 0.77 0.98 0.00 0.00 173.24 176.61 1kaq h SER 156 N 2.74 0.66 0.00 7.02 4.64 -1.87 -1.78 113.55 124.95 1kaq h SER 156 Ca -0.41 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1kaq h SER 156 Cb 1.23 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1kaq h SER 156 CO 0.57 0.61 0.00 0.41 -0.87 0.00 0.00 176.83 177.55 1kaq n THR 157 N -4.60 0.16 -0.10 2.95 -1.04 -1.26 0.50 114.28 110.90 1kaq n THR 157 Ca 0.02 0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.90 1kaq n THR 157 Cb 0.12 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.52 1kaq n THR 157 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1kaq n MET 158 N -1.04 0.54 0.12 -2.82 0.00 -0.68 -3.93 117.12 109.31 1kaq n MET 158 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 57.70 58.02 1kaq n MET 158 Cb 0.00 -1.64 -0.07 0.00 0.00 0.00 0.00 33.22 31.51 1kaq n MET 158 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1kaq h ILE 159 N -1.00 0.22 -0.76 1.12 1.08 0.20 0.40 117.51 118.78 1kaq h ILE 159 Ca -0.29 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.34 1kaq h ILE 159 Cb 1.12 0.22 -0.14 0.00 -3.07 0.00 0.00 36.82 34.95 1kaq h ILE 159 CO -0.17 0.00 -0.10 0.03 -0.69 0.00 0.00 178.15 177.21 1kaq h ARG 160 N -0.62 0.04 -0.03 2.37 3.08 -0.75 3.23 114.38 121.70 1kaq h ARG 160 Ca 0.02 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 1kaq h ARG 160 Cb 0.64 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1kaq h ARG 160 CO -0.22 0.02 -0.63 1.49 -1.07 0.00 0.00 179.97 179.56 1kaq h GLU 161 N 0.04 0.14 -0.21 0.04 4.81 -1.57 -2.65 114.58 115.18 1kaq h GLU 161 Ca 0.39 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1kaq h GLU 161 Cb 0.64 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1kaq h GLU 161 CO -0.73 0.72 0.01 -0.09 -0.73 0.00 0.00 179.01 178.19 1kaq h ARG 162 N 0.10 0.36 -1.07 1.92 9.65 0.44 -2.40 114.38 123.38 1kaq h ARG 162 Ca -0.01 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1kaq h ARG 162 Cb 1.14 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1kaq h ARG 162 CO 0.09 0.54 0.00 1.19 2.80 0.00 0.00 179.97 184.59 1kaq n PHE 163 N -4.70 0.00 -2.76 2.20 3.01 1.03 -0.34 117.46 115.90 1kaq n PHE 163 Ca -0.04 -0.27 -0.02 0.00 1.01 0.00 0.00 57.45 58.13 1kaq n PHE 163 Cb 0.22 -0.17 0.02 0.00 -0.01 0.00 0.00 39.48 39.53 1kaq n PHE 163 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1kaq s LYS 164 N -0.19 0.43 0.00 -1.08 2.47 -0.90 -4.79 119.74 115.68 1kaq s LYS 164 Ca 0.00 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1kaq s LYS 164 Cb 0.00 -0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1kaq s LYS 164 CO 0.00 -0.56 0.00 0.45 0.16 0.00 0.00 175.35 175.40 1kaq n SER 165 N 3.09 0.00 -1.73 1.43 2.88 -1.24 -4.72 113.62 113.33 1kaq n SER 165 Ca 0.11 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.59 1kaq n SER 165 Cb 0.62 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 1kaq n SER 165 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kaq n LYS 166 N 0.00 -0.34 -4.04 -1.46 0.00 -1.12 -4.97 118.16 106.23 1kaq n LYS 166 Ca 0.00 0.23 -0.22 0.00 -0.00 0.00 0.00 58.31 58.32 1kaq n LYS 166 Cb 0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 35.03 34.61 1kaq n LYS 166 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1kaq s LYS 167 N -0.90 2.55 0.00 -1.58 1.02 0.54 -5.04 119.74 116.34 1kaq s LYS 167 Ca 0.06 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1kaq s LYS 167 Cb -0.01 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1kaq s LYS 167 CO 0.16 0.18 0.20 -2.30 -0.92 0.00 0.00 175.35 172.68 1kaq n PRO 168 N -1.19 0.00 -0.31 -1.68 -0.02 -1.26 -4.65 135.00 125.88 1kaq n PRO 168 Ca -0.04 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1kaq n PRO 168 Cb 0.60 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 1kaq n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1kaq n THR 169 N -2.18 0.00 -2.84 3.45 5.66 -1.26 -4.93 114.28 112.18 1kaq n THR 169 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1kaq n THR 169 Cb 0.00 -0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 68.41 1kaq n THR 169 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1kaq s ASP 170 N -1.83 7.55 -0.58 1.09 1.11 -1.26 -3.44 116.67 119.30 1kaq s ASP 170 Ca 0.00 1.83 0.00 0.00 0.18 0.00 0.00 52.55 54.56 1kaq s ASP 170 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1kaq s ASP 170 CO 0.00 0.18 0.00 -1.22 1.18 0.00 0.00 175.17 175.31 1kaq n TYR 171 N 1.55 0.00 -0.01 4.23 4.02 -1.26 -4.82 117.16 120.87 1kaq n TYR 171 Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.84 1kaq n TYR 171 Cb 0.48 -1.34 -0.01 0.00 -0.02 0.00 0.00 39.34 38.44 1kaq n TYR 171 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kaq n LEU 172 N -0.62 0.96 -4.06 7.72 4.77 -1.22 -4.97 117.00 119.57 1kaq n LEU 172 Ca -0.05 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 1kaq n LEU 172 Cb 0.23 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1kaq n LEU 172 CO 0.08 0.21 -0.41 0.27 -1.33 0.00 0.00 177.39 176.21 1kaq s ILE 173 N -2.05 0.58 0.91 -0.08 -4.36 -1.25 -0.79 121.20 114.16 1kaq s ILE 173 Ca -0.02 -1.04 -0.13 0.00 -0.26 0.00 0.00 60.65 59.19 1kaq s ILE 173 Cb 0.01 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 43.11 1kaq s ILE 173 CO 0.07 -0.34 0.40 -2.65 0.24 0.00 0.00 174.94 172.67 1kaq n PRO 174 N 1.54 -0.17 0.18 0.37 -0.02 -1.26 -4.77 135.00 130.87 1kaq n PRO 174 Ca -0.22 -0.01 0.14 0.00 -2.02 0.00 0.00 63.50 61.39 1kaq n PRO 174 Cb 0.55 -1.84 0.47 0.00 -0.02 0.00 0.00 33.50 32.66 1kaq n PRO 174 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1kaq h ASP 175 N -1.33 0.00 1.04 2.55 1.82 -2.00 -2.44 116.42 116.07 1kaq h ASP 175 Ca -0.44 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.00 1kaq h ASP 175 Cb 1.29 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.27 1kaq h ASP 175 CO 0.35 0.00 -0.96 0.11 -1.61 0.00 0.00 179.24 177.13 1kaq h LYS 176 N 0.00 0.00 0.09 0.28 1.79 -2.00 -2.91 116.57 113.82 1kaq h LYS 176 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 1kaq h LYS 176 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1kaq h LYS 176 CO 0.00 0.95 -1.38 0.28 -1.08 0.00 0.00 179.45 178.22 1kaq h VAL 177 N 0.00 1.31 -0.25 0.50 2.07 -1.84 -2.79 116.25 115.25 1kaq h VAL 177 Ca -0.01 -2.97 -0.00 0.00 0.82 0.00 0.00 66.70 64.54 1kaq h VAL 177 Cb 1.74 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 34.28 1kaq h VAL 177 CO 0.12 0.83 0.16 0.50 0.02 0.00 0.00 177.57 179.20 1kaq h LYS 178 N 0.05 0.34 -0.39 1.57 3.64 -1.51 -2.22 116.57 118.06 1kaq h LYS 178 Ca -0.18 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1kaq h LYS 178 Cb 1.96 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.67 1kaq h LYS 178 CO 0.16 0.27 0.19 0.87 -2.27 0.00 0.00 179.45 178.66 1kaq h LYS 179 N 0.32 0.38 -0.89 1.90 1.57 -1.57 -2.41 116.57 115.86 1kaq h LYS 179 Ca 0.09 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1kaq h LYS 179 Cb 0.01 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.15 1kaq h LYS 179 CO -0.02 0.25 0.52 -0.92 -0.57 0.00 0.00 179.45 178.71 1kaq h TYR 180 N 0.39 0.93 -0.12 -1.35 3.20 -1.18 -0.68 116.97 118.17 1kaq h TYR 180 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1kaq h TYR 180 Cb 0.08 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1kaq h TYR 180 CO -0.10 0.34 0.03 0.28 -1.64 0.00 0.00 178.16 177.06 1kaq h VAL 181 N 0.81 1.20 -0.32 1.81 2.07 -0.94 -1.25 116.25 119.63 1kaq h VAL 181 Ca 0.45 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1kaq h VAL 181 Cb 0.48 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1kaq h VAL 181 CO -0.28 0.18 0.13 -0.33 0.02 0.00 0.00 177.57 177.28 1kaq h GLU 182 N -0.02 0.49 0.98 1.57 5.08 -1.16 -0.39 114.58 121.13 1kaq h GLU 182 Ca 0.04 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1kaq h GLU 182 Cb 0.26 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1kaq h GLU 182 CO 0.00 0.50 -0.47 0.93 -1.00 0.00 0.00 179.01 178.96 1kaq h GLU 183 N 0.38 -1.27 -0.99 2.33 5.08 -1.11 -3.15 114.58 115.84 1kaq h GLU 183 Ca 0.11 0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1kaq h GLU 183 Cb 0.19 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1kaq h GLU 183 CO -0.01 -0.85 0.01 0.09 -1.00 0.00 0.00 179.01 177.25 1kaq n ASN 184 N -5.65 1.89 0.00 1.42 5.03 -0.47 -4.88 115.26 112.60 1kaq n ASN 184 Ca -0.16 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.24 1kaq n ASN 184 Cb 0.52 -0.51 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1kaq n ASN 184 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kaq n GLY 185 N 0.18 0.12 3.52 7.41 0.00 -1.09 -5.00 105.19 110.33 1kaq n GLY 185 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1kaq n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kaq s LEU 186 N 0.00 1.23 0.00 0.99 2.01 -0.18 -5.00 118.68 117.73 1kaq s LEU 186 Ca 0.00 1.67 0.00 0.00 0.01 0.00 0.00 54.13 55.81 1kaq s LEU 186 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 46.19 42.54 1kaq s LEU 186 CO 0.00 -4.01 0.00 -1.22 1.01 0.00 0.00 176.35 172.13