#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k32 s VAL 6 N 0.00 0.34 -0.30 2.53 0.11 -0.50 -4.65 120.40 117.93 3k32 s VAL 6 Ca 0.00 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 58.85 3k32 s VAL 6 Cb 0.00 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3k32 s VAL 6 CO 0.00 0.13 0.13 -1.00 -3.33 0.00 0.00 175.10 171.03 3k32 s HIS 7 N 0.32 3.16 -0.20 1.54 3.76 -0.25 -0.09 115.29 123.53 3k32 s HIS 7 Ca -0.03 -0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 3k32 s HIS 7 Cb -0.07 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.31 3k32 s HIS 7 CO -0.00 -0.47 -0.12 0.08 -0.85 0.00 0.00 174.74 173.37 3k32 s VAL 8 N 1.59 2.73 0.03 -0.90 1.01 -0.46 -0.78 120.40 123.63 3k32 s VAL 8 Ca 0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3k32 s VAL 8 Cb -0.17 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 3k32 s VAL 8 CO 0.05 0.48 1.55 -0.76 0.00 0.00 0.00 175.10 176.43 3k32 s LEU 9 N 1.33 4.34 -0.07 3.92 1.02 0.40 -0.49 118.68 129.14 3k32 s LEU 9 Ca 0.04 2.32 0.02 0.00 0.02 0.00 0.00 54.13 56.53 3k32 s LEU 9 Cb -0.14 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.53 3k32 s LEU 9 CO -0.07 -0.82 -0.10 0.12 0.02 0.00 0.00 176.35 175.49 3k32 s PHE 10 N 2.66 1.33 -0.06 0.29 5.36 0.21 -4.34 117.98 123.42 3k32 s PHE 10 Ca 0.70 -0.49 0.16 0.00 -0.96 0.00 0.00 56.93 56.33 3k32 s PHE 10 Cb -0.36 -1.01 -0.24 0.00 -0.34 0.00 0.00 43.02 41.07 3k32 s PHE 10 CO 0.30 -0.28 0.27 -1.13 -1.46 0.00 0.00 175.22 172.92 3k32 n SER 11 N 3.95 1.18 0.00 6.13 3.41 -1.26 -4.32 113.62 122.72 3k32 n SER 11 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3k32 n SER 11 Cb 0.51 1.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.97 3k32 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k32 n GLY 12 N 1.70 3.46 3.56 5.00 0.00 -1.26 -3.36 105.19 114.29 3k32 n GLY 12 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3k32 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k32 s GLY 13 N -2.91 1.61 0.23 -0.02 0.00 -1.26 -4.62 107.32 100.34 3k32 s GLY 13 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.92 3k32 s GLY 13 CO 0.00 0.79 1.59 0.07 0.00 0.00 0.00 173.10 175.55 3k32 h LYS 14 N -2.34 0.48 -0.27 2.90 2.10 -1.94 0.14 116.57 117.64 3k32 h LYS 14 Ca -0.54 -0.26 -0.17 0.00 -2.00 0.00 0.00 60.65 57.68 3k32 h LYS 14 Cb 1.31 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3k32 h LYS 14 CO 0.46 0.84 -0.52 -0.44 -2.00 0.00 0.00 179.45 177.79 3k32 h ASP 15 N 0.39 0.84 -0.69 7.07 3.32 -1.96 0.18 116.42 125.56 3k32 h ASP 15 Ca 0.03 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 3k32 h ASP 15 Cb 0.94 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3k32 h ASP 15 CO 0.08 1.20 0.41 -1.28 -1.72 0.00 0.00 179.24 177.94 3k32 h SER 16 N 0.59 0.85 -0.25 6.45 0.87 -1.79 -1.45 113.55 118.83 3k32 h SER 16 Ca 0.02 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 3k32 h SER 16 Cb 1.10 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3k32 h SER 16 CO 0.11 0.66 -0.62 0.28 -0.53 0.00 0.00 176.83 176.73 3k32 h SER 17 N 0.97 0.97 -0.56 6.23 0.02 -0.46 -3.12 113.55 117.60 3k32 h SER 17 Ca 0.25 -0.56 0.11 0.00 -0.84 0.00 0.00 61.79 60.75 3k32 h SER 17 Cb -0.02 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 62.14 3k32 h SER 17 CO -0.05 1.36 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.93 3k32 h LEU 18 N 0.63 -0.25 -0.38 5.07 3.38 -0.22 -1.20 115.31 122.34 3k32 h LEU 18 Ca -0.01 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3k32 h LEU 18 Cb 1.24 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3k32 h LEU 18 CO 0.13 -0.10 0.24 0.77 0.09 0.00 0.00 178.44 179.58 3k32 h SER 19 N 0.11 0.41 -0.21 -0.43 4.64 -1.24 0.10 113.55 116.93 3k32 h SER 19 Ca 0.29 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3k32 h SER 19 Cb 0.45 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3k32 h SER 19 CO -0.48 0.30 0.10 0.00 -0.87 0.00 0.00 176.83 175.88 3k32 h ALA 20 N 1.15 0.27 -0.47 5.18 0.00 -1.41 -1.67 119.26 122.31 3k32 h ALA 20 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k32 h ALA 20 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3k32 h ALA 20 CO -0.05 -0.18 0.25 0.28 0.00 0.00 0.00 179.25 179.56 3k32 h VAL 21 N 0.21 1.00 -0.30 0.00 2.07 -1.03 0.20 116.25 118.39 3k32 h VAL 21 Ca 0.07 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3k32 h VAL 21 Cb 0.11 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3k32 h VAL 21 CO -0.01 0.09 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 3k32 h ILE 22 N 0.51 0.76 -0.31 4.57 2.04 -0.90 0.22 117.51 124.40 3k32 h ILE 22 Ca 0.20 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.06 3k32 h ILE 22 Cb 0.07 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3k32 h ILE 22 CO -0.12 0.01 0.13 -0.07 0.00 0.00 0.00 178.15 178.11 3k32 h LEU 23 N 0.07 0.17 -0.68 1.44 4.07 -0.37 0.02 115.31 120.04 3k32 h LEU 23 Ca 0.15 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.23 3k32 h LEU 23 Cb 0.20 -0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.86 3k32 h LEU 23 CO -0.26 0.14 0.30 0.50 -1.08 0.00 0.00 178.44 178.04 3k32 h LYS 24 N 0.28 0.50 0.00 1.13 1.63 -0.12 -0.25 116.57 119.73 3k32 h LYS 24 Ca 0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3k32 h LYS 24 Cb 0.08 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3k32 h LYS 24 CO -0.12 0.33 0.00 0.87 -3.45 0.00 0.00 179.45 177.08 3k32 h LYS 25 N 0.51 0.00 -0.24 1.90 1.57 0.42 -2.30 116.57 118.44 3k32 h LYS 25 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3k32 h LYS 25 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3k32 h LYS 25 CO -0.30 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.86 3k32 n LEU 26 N -2.81 2.41 0.00 2.94 4.77 -0.10 -4.94 117.00 119.27 3k32 n LEU 26 Ca -0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3k32 n LEU 26 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3k32 n LEU 26 CO 0.22 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3k32 n GLY 27 N 1.28 0.89 3.90 -0.72 0.00 -0.86 -5.07 105.19 104.60 3k32 n GLY 27 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3k32 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k32 s TYR 28 N -2.00 3.38 -0.43 1.61 2.02 -0.84 -4.96 117.35 116.13 3k32 s TYR 28 Ca 0.00 0.90 -0.03 0.00 -0.37 0.00 0.00 57.07 57.57 3k32 s TYR 28 Cb 0.00 -2.77 0.11 0.00 -0.40 0.00 0.00 41.96 38.91 3k32 s TYR 28 CO 0.00 -0.82 0.23 1.21 -1.57 0.00 0.00 175.55 174.59 3k32 s ASN 29 N -4.27 5.26 -0.04 2.29 2.47 -1.26 -4.29 114.94 115.11 3k32 s ASN 29 Ca 0.54 -2.10 -0.30 0.00 0.42 0.00 0.00 52.86 51.43 3k32 s ASN 29 Cb -0.11 -1.84 -0.05 0.00 -1.45 0.00 0.00 41.25 37.81 3k32 s ASN 29 CO 0.49 -0.53 1.49 -2.84 -3.72 0.00 0.00 177.10 171.98 3k32 s PRO 30 N 1.05 4.23 -0.37 0.43 0.02 -1.26 -1.41 135.00 137.69 3k32 s PRO 30 Ca 0.09 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.08 3k32 s PRO 30 Cb -0.23 -3.75 0.07 0.00 0.02 0.00 0.00 34.50 30.61 3k32 s PRO 30 CO -0.04 -0.71 0.16 -1.01 -0.33 0.00 0.00 177.00 175.07 3k32 s HIS 31 N 3.19 3.35 0.13 6.54 3.76 0.87 -4.21 115.29 128.92 3k32 s HIS 31 Ca 0.67 -1.75 -0.28 0.00 -0.15 0.00 0.00 55.06 53.55 3k32 s HIS 31 Cb -0.31 -2.67 -0.07 0.00 1.11 0.00 0.00 32.58 30.64 3k32 s HIS 31 CO 0.26 -0.83 0.89 -0.51 -0.85 0.00 0.00 174.74 173.70 3k32 s LEU 32 N 1.33 4.53 -0.06 0.89 1.02 -0.09 -1.35 118.68 124.95 3k32 s LEU 32 Ca 0.01 1.73 0.01 0.00 0.02 0.00 0.00 54.13 55.91 3k32 s LEU 32 Cb -0.21 -3.48 0.02 0.00 0.02 0.00 0.00 46.19 42.54 3k32 s LEU 32 CO 0.00 0.04 -0.07 -0.63 0.02 0.00 0.00 176.35 175.71 3k32 s ILE 33 N -0.42 0.78 -0.04 -0.59 1.01 0.36 -0.72 121.20 121.58 3k32 s ILE 33 Ca 0.42 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3k32 s ILE 33 Cb -0.23 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3k32 s ILE 33 CO 0.28 0.28 -0.25 -0.89 0.00 0.00 0.00 174.94 174.36 3k32 s THR 34 N 0.90 2.07 -0.13 2.92 2.01 -0.80 0.64 115.64 123.25 3k32 s THR 34 Ca -0.11 -1.09 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 3k32 s THR 34 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3k32 s THR 34 CO 0.01 0.58 0.40 -0.63 -0.69 0.00 0.00 174.62 174.29 3k32 s ILE 35 N -0.41 5.22 0.09 1.82 -1.09 -1.26 -1.16 121.20 124.41 3k32 s ILE 35 Ca 0.04 0.79 0.10 0.00 -2.23 0.00 0.00 60.65 59.35 3k32 s ILE 35 Cb -0.12 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 3k32 s ILE 35 CO 0.01 0.37 -0.26 0.21 -1.23 0.00 0.00 174.94 174.04 3k32 s ASN 36 N 0.43 3.32 0.00 3.58 3.84 -0.46 -4.87 114.94 120.78 3k32 s ASN 36 Ca 0.22 -0.65 0.09 0.00 0.21 0.00 0.00 52.86 52.74 3k32 s ASN 36 Cb -0.14 -0.29 0.23 0.00 -0.55 0.00 0.00 41.25 40.49 3k32 s ASN 36 CO 0.08 0.22 1.15 0.49 -2.79 0.00 0.00 177.10 176.25 3k32 n PHE 37 N 1.33 0.33 -2.74 0.43 3.01 -1.26 -1.35 117.46 117.21 3k32 n PHE 37 Ca -0.17 -0.42 -0.07 0.00 1.01 0.00 0.00 57.45 57.79 3k32 n PHE 37 Cb 0.52 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 3k32 n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k32 n GLY 38 N 0.39 0.44 0.73 1.37 0.00 -1.26 -3.54 105.19 103.31 3k32 n GLY 38 Ca 0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3k32 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k32 n VAL 39 N -3.38 0.73 -3.70 1.61 0.31 -1.26 -5.01 118.33 107.62 3k32 n VAL 39 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 3k32 n VAL 39 Cb 0.52 -1.68 -0.08 0.00 -0.91 0.00 0.00 33.84 31.69 3k32 n VAL 39 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3k32 s ILE 40 N -2.20 0.04 -1.12 2.52 -4.36 -1.26 -5.07 121.20 109.75 3k32 s ILE 40 Ca -0.12 -0.34 -0.18 0.00 -0.26 0.00 0.00 60.65 59.76 3k32 s ILE 40 Cb 0.04 -0.70 -0.06 0.00 1.25 0.00 0.00 42.46 42.99 3k32 s ILE 40 CO 0.15 -0.19 2.08 -2.65 0.24 0.00 0.00 174.94 174.58 3k32 n PRO 41 N 1.27 2.19 0.14 0.37 -0.02 -1.26 -4.66 135.00 133.04 3k32 n PRO 41 Ca -0.21 -2.23 0.13 0.00 -2.02 0.00 0.00 63.50 59.18 3k32 n PRO 41 Cb 0.56 -3.11 0.46 0.00 -0.02 0.00 0.00 33.50 31.39 3k32 n PRO 41 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k32 h SER 42 N 6.94 0.00 0.17 2.55 4.64 -1.94 -3.30 113.55 122.62 3k32 h SER 42 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3k32 h SER 42 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3k32 h SER 42 CO 1.93 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.89 3k32 n TYR 43 N -2.41 0.00 -0.24 4.77 0.18 -1.26 -3.96 117.16 114.24 3k32 n TYR 43 Ca 0.03 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.75 3k32 n TYR 43 Cb 0.34 -0.15 0.04 0.00 -0.38 0.00 0.00 39.34 39.19 3k32 n TYR 43 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 3k32 h LYS 44 N 0.00 0.96 -0.01 -3.48 1.57 -1.97 -1.33 116.57 112.31 3k32 h LYS 44 Ca 0.00 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3k32 h LYS 44 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3k32 h LYS 44 CO 0.00 0.78 -0.04 1.25 -0.57 0.00 0.00 179.45 180.86 3k32 h LEU 45 N 0.92 -0.12 -0.09 2.94 6.46 -1.90 -2.31 115.31 121.20 3k32 h LEU 45 Ca 0.23 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 3k32 h LEU 45 Cb 0.14 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 3k32 h LEU 45 CO -0.03 -0.06 -0.16 0.00 -0.62 0.00 0.00 178.44 177.57 3k32 h ALA 46 N 0.94 -0.12 -0.48 1.25 0.00 -1.59 0.18 119.26 119.43 3k32 h ALA 46 Ca 0.02 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3k32 h ALA 46 Cb 0.10 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 3k32 h ALA 46 CO -0.05 -0.63 -0.19 0.93 0.00 0.00 0.00 179.25 179.31 3k32 h GLU 47 N -0.22 -0.08 -0.12 0.00 5.08 -1.19 -1.43 114.58 116.62 3k32 h GLU 47 Ca 0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3k32 h GLU 47 Cb 0.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3k32 h GLU 47 CO -0.22 -0.06 0.05 0.93 -1.00 0.00 0.00 179.01 178.71 3k32 h GLU 48 N -0.09 0.18 -0.59 2.33 5.08 -0.82 -3.00 114.58 117.66 3k32 h GLU 48 Ca 0.23 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3k32 h GLU 48 Cb 0.44 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3k32 h GLU 48 CO -0.54 0.29 0.39 1.15 -1.00 0.00 0.00 179.01 179.30 3k32 h THR 49 N 0.03 1.09 -0.75 1.13 2.02 -0.65 -1.95 112.91 113.83 3k32 h THR 49 Ca 0.04 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3k32 h THR 49 Cb 0.18 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3k32 h THR 49 CO -0.00 0.13 0.44 0.00 0.37 0.00 0.00 175.52 176.46 3k32 h ALA 50 N 1.65 0.96 -0.53 6.16 0.00 -1.14 0.32 119.26 126.69 3k32 h ALA 50 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k32 h ALA 50 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3k32 h ALA 50 CO -0.06 0.44 0.33 0.87 0.00 0.00 0.00 179.25 180.83 3k32 h LYS 51 N 1.03 0.66 -0.85 0.00 1.57 -1.24 0.46 116.57 118.19 3k32 h LYS 51 Ca 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3k32 h LYS 51 Cb -0.01 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3k32 h LYS 51 CO -0.05 0.43 0.47 0.82 -0.57 0.00 0.00 179.45 180.56 3k32 h ILE 52 N 0.68 1.24 0.00 1.86 2.04 -1.11 -2.58 117.51 119.64 3k32 h ILE 52 Ca 0.20 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 3k32 h ILE 52 Cb -0.04 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3k32 h ILE 52 CO -0.06 0.27 -0.53 -0.07 0.00 0.00 0.00 178.15 177.75 3k32 h LEU 53 N 1.18 0.00 0.00 1.44 4.07 -0.03 -3.42 115.31 118.55 3k32 h LEU 53 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 3k32 h LEU 53 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 3k32 h LEU 53 CO -0.05 0.53 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 3k32 n GLY 54 N 0.48 0.79 3.65 0.83 0.00 0.15 -5.08 105.19 106.01 3k32 n GLY 54 Ca -0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3k32 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k32 s PHE 55 N -2.00 3.03 0.50 1.61 0.08 -0.53 -5.02 117.98 115.66 3k32 s PHE 55 Ca 0.00 0.06 -0.22 0.00 0.12 0.00 0.00 56.93 56.89 3k32 s PHE 55 Cb 0.00 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3k32 s PHE 55 CO 0.00 0.43 1.26 0.15 -0.10 0.00 0.00 175.22 176.96 3k32 s LYS 56 N -1.35 3.45 0.01 0.44 1.02 -1.26 -4.45 119.74 117.61 3k32 s LYS 56 Ca 0.17 2.01 0.01 0.00 0.02 0.00 0.00 55.97 58.18 3k32 s LYS 56 Cb -0.11 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 3k32 s LYS 56 CO 0.07 -0.87 -0.02 -1.58 -0.92 0.00 0.00 175.35 172.03 3k32 s HIS 57 N -1.42 0.22 -0.07 3.18 5.65 -1.26 -0.92 115.29 120.67 3k32 s HIS 57 Ca 0.67 -0.18 -0.03 0.00 0.25 0.00 0.00 55.06 55.77 3k32 s HIS 57 Cb -0.35 -0.14 0.04 0.00 -1.18 0.00 0.00 32.58 30.95 3k32 s HIS 57 CO 0.41 -0.05 0.13 0.21 -0.65 0.00 0.00 174.74 174.80 3k32 s LYS 58 N -0.50 0.03 -0.32 2.88 2.20 0.10 -4.95 119.74 119.18 3k32 s LYS 58 Ca -0.04 0.46 -0.22 0.00 -0.36 0.00 0.00 55.97 55.81 3k32 s LYS 58 Cb -0.04 -0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.00 3k32 s LYS 58 CO -0.00 -0.26 0.72 0.14 -0.36 0.00 0.00 175.35 175.59 3k32 s VAL 59 N 1.90 4.84 -0.05 4.02 -7.23 -1.26 -1.90 120.40 120.71 3k32 s VAL 59 Ca -0.01 0.97 -0.03 0.00 -1.81 0.00 0.00 61.98 61.10 3k32 s VAL 59 Cb -0.12 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.68 3k32 s VAL 59 CO -0.05 -0.26 0.12 0.27 -0.31 0.00 0.00 175.10 174.87 3k32 s ILE 60 N 2.85 5.11 -0.17 -0.62 -4.36 -0.30 -4.93 121.20 118.79 3k32 s ILE 60 Ca 0.29 -0.13 -0.05 0.00 -0.26 0.00 0.00 60.65 60.50 3k32 s ILE 60 Cb -0.14 -3.30 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 3k32 s ILE 60 CO 0.13 0.46 -0.00 -0.89 0.24 0.00 0.00 174.94 174.88 3k32 s THR 61 N -1.14 4.18 0.26 8.37 2.01 -1.26 -1.35 115.64 126.71 3k32 s THR 61 Ca 0.21 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.03 3k32 s THR 61 Cb -0.12 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 3k32 s THR 61 CO 0.11 0.48 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 3k32 s LEU 62 N 0.40 2.53 -0.20 4.42 1.02 -0.45 -4.98 118.68 121.40 3k32 s LEU 62 Ca -0.02 -1.12 -0.38 0.00 0.02 0.00 0.00 54.13 52.64 3k32 s LEU 62 Cb -0.14 -0.71 -0.14 0.00 0.02 0.00 0.00 46.19 45.22 3k32 s LEU 62 CO 0.02 -0.24 1.79 0.47 0.02 0.00 0.00 176.35 178.41 3k32 n ASP 63 N -0.53 2.79 -0.00 2.29 9.92 -1.26 -4.44 116.55 125.32 3k32 n ASP 63 Ca -0.06 1.04 0.23 0.00 -0.53 0.00 0.00 54.79 55.46 3k32 n ASP 63 Cb 0.62 -1.23 0.73 0.00 -0.64 0.00 0.00 41.12 40.60 3k32 n ASP 63 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3k32 h ARG 64 N 7.95 0.00 -0.92 -1.24 2.43 -1.94 0.64 114.38 121.30 3k32 h ARG 64 Ca -0.47 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 58.96 3k32 h ARG 64 Cb 1.30 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.69 3k32 h ARG 64 CO 0.96 0.00 0.18 -0.22 -1.51 0.00 0.00 179.97 179.37 3k32 h LYS 65 N 0.00 0.11 -0.16 0.20 3.64 -1.90 -1.11 116.57 117.35 3k32 h LYS 65 Ca 0.27 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3k32 h LYS 65 Cb 1.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3k32 h LYS 65 CO -0.00 0.07 0.06 0.82 -2.27 0.00 0.00 179.45 178.13 3k32 h ILE 66 N 0.11 0.98 0.02 2.00 2.04 -1.23 0.43 117.51 121.85 3k32 h ILE 66 Ca 0.59 -0.05 -0.20 0.00 1.00 0.00 0.00 64.86 66.19 3k32 h ILE 66 Cb 1.24 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3k32 h ILE 66 CO -0.76 0.03 -0.95 -0.37 0.00 0.00 0.00 178.15 176.10 3k32 h VAL 67 N 0.14 1.61 -0.99 1.67 -1.51 -1.57 -0.94 116.25 114.67 3k32 h VAL 67 Ca 0.06 -3.05 0.08 0.00 -1.23 0.00 0.00 66.70 62.57 3k32 h VAL 67 Cb 0.03 2.69 -0.07 0.00 -2.13 0.00 0.00 31.29 31.80 3k32 h VAL 67 CO -0.06 0.88 0.63 -0.33 -1.23 0.00 0.00 177.57 177.46 3k32 h GLU 68 N 0.03 1.07 -0.19 5.19 4.39 -0.91 0.17 114.58 124.33 3k32 h GLU 68 Ca -0.03 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3k32 h GLU 68 Cb 1.65 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 3k32 h GLU 68 CO 0.13 0.71 -0.41 -0.22 -1.16 0.00 0.00 179.01 178.06 3k32 h LYS 69 N 1.10 0.44 0.16 2.33 1.63 -0.57 -1.24 116.57 120.42 3k32 h LYS 69 Ca 0.44 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3k32 h LYS 69 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3k32 h LYS 69 CO -0.20 0.78 -0.07 0.00 -3.45 0.00 0.00 179.45 176.50 3k32 h ALA 70 N 1.20 -0.21 -0.46 5.00 0.00 0.09 -3.12 119.26 121.75 3k32 h ALA 70 Ca 0.03 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3k32 h ALA 70 Cb 0.88 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3k32 h ALA 70 CO 0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 3k32 h ALA 71 N 0.52 0.39 0.00 0.00 0.00 -0.51 -0.10 119.26 119.55 3k32 h ALA 71 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k32 h ALA 71 Cb 0.24 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k32 h ALA 71 CO 0.04 -0.41 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 3k32 n ASP 72 N -5.27 0.00 0.00 0.00 9.92 -0.49 -1.29 116.55 119.43 3k32 n ASP 72 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 3k32 n ASP 72 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 3k32 n ASP 72 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3k32 n ILE 74 N 0.18 0.00 -0.19 0.53 2.08 -0.05 -1.14 119.36 120.76 3k32 n ILE 74 Ca 0.00 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 3k32 n ILE 74 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 38.90 3k32 n ILE 74 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3k32 h ILE 75 N 0.00 1.27 -0.59 1.39 2.04 -1.45 0.39 117.51 120.55 3k32 h ILE 75 Ca 0.00 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 3k32 h ILE 75 Cb 0.00 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3k32 h ILE 75 CO 0.00 0.43 0.30 -0.08 0.00 0.00 0.00 178.15 178.80 3k32 h GLU 76 N 0.90 0.84 -0.01 2.37 4.57 -1.38 -3.35 114.58 118.52 3k32 h GLU 76 Ca 0.15 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3k32 h GLU 76 Cb 0.62 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3k32 h GLU 76 CO 0.04 0.67 -0.23 0.72 -1.18 0.00 0.00 179.01 179.02 3k32 n HIS 77 N -4.55 0.00 0.00 0.92 8.25 -1.11 -5.00 115.22 113.73 3k32 n HIS 77 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3k32 n HIS 77 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3k32 n HIS 77 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3k32 n LYS 78 N -0.46 0.00 -1.77 -0.41 0.00 0.14 -4.83 118.16 110.83 3k32 n LYS 78 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.92 3k32 n LYS 78 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.18 3k32 n LYS 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3k32 s TYR 79 N 0.00 2.90 -0.92 5.64 5.04 -1.26 -4.78 117.35 123.97 3k32 s TYR 79 Ca 0.00 0.47 0.28 0.00 -2.44 0.00 0.00 57.07 55.38 3k32 s TYR 79 Cb 0.00 -4.09 1.08 0.00 0.35 0.00 0.00 41.96 39.30 3k32 s TYR 79 CO 0.00 -4.04 1.86 -2.30 -1.34 0.00 0.00 175.55 169.73 3k32 n PRO 80 N 3.62 0.08 -0.23 4.97 -0.02 -1.26 -4.33 135.00 137.82 3k32 n PRO 80 Ca 0.14 0.06 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 3k32 n PRO 80 Cb 0.36 -1.59 -0.07 0.00 -0.02 0.00 0.00 33.50 32.18 3k32 n PRO 80 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3k32 h GLY 81 N 4.86 -1.33 -0.03 -1.23 0.00 -1.97 0.48 103.07 103.85 3k32 h GLY 81 Ca 0.00 0.85 0.09 0.00 0.00 0.00 0.00 47.33 48.28 3k32 h GLY 81 CO 0.00 -0.26 -0.18 -2.55 0.00 0.00 0.00 176.54 173.55 3k32 h PRO 82 N -0.10 -0.07 -0.11 4.80 0.11 -2.00 0.10 132.00 134.73 3k32 h PRO 82 Ca 0.09 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.22 3k32 h PRO 82 Cb 0.34 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3k32 h PRO 82 CO -0.60 -0.05 0.04 0.00 -0.21 0.00 0.00 178.00 177.19 3k32 h ALA 83 N 1.30 0.12 -0.34 -0.75 0.00 -1.58 -1.80 119.26 116.21 3k32 h ALA 83 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3k32 h ALA 83 Cb 0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3k32 h ALA 83 CO -0.52 -0.41 0.17 0.82 0.00 0.00 0.00 179.25 179.31 3k32 h ILE 84 N 0.10 1.16 -0.47 0.00 1.08 -0.56 -1.41 117.51 117.42 3k32 h ILE 84 Ca 0.05 -0.45 0.09 0.00 -0.39 0.00 0.00 64.86 64.16 3k32 h ILE 84 Cb 0.02 0.82 -0.10 0.00 -3.07 0.00 0.00 36.82 34.49 3k32 h ILE 84 CO -0.04 0.17 -0.32 1.56 -0.69 0.00 0.00 178.15 178.82 3k32 h GLN 85 N 0.42 -0.20 -0.15 2.37 1.08 -0.70 -1.11 115.11 116.82 3k32 h GLN 85 Ca 0.12 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3k32 h GLN 85 Cb 0.11 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3k32 h GLN 85 CO -0.02 -0.14 0.09 -0.92 -0.95 0.00 0.00 178.83 176.90 3k32 h TYR 86 N -0.21 0.19 0.03 2.96 3.20 -1.00 -1.00 116.97 121.13 3k32 h TYR 86 Ca 0.20 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3k32 h TYR 86 Cb 0.54 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3k32 h TYR 86 CO -0.57 0.13 -0.01 0.28 -1.64 0.00 0.00 178.16 176.36 3k32 h VAL 87 N 0.19 1.07 -0.02 1.81 2.07 -1.06 -1.77 116.25 118.53 3k32 h VAL 87 Ca 0.05 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3k32 h VAL 87 Cb -0.00 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3k32 h VAL 87 CO -0.01 0.07 -0.21 -0.74 0.02 0.00 0.00 177.57 176.70 3k32 h HIS 88 N -0.16 -0.55 -0.41 1.57 -0.00 -1.05 0.32 115.15 114.87 3k32 h HIS 88 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3k32 h HIS 88 Cb 0.15 0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 3k32 h HIS 88 CO -0.03 -0.29 0.21 0.87 -0.00 0.00 0.00 177.93 178.68 3k32 h LYS 89 N -0.32 0.58 -0.80 5.26 1.57 -1.19 0.17 116.57 121.84 3k32 h LYS 89 Ca 0.07 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 3k32 h LYS 89 Cb 0.41 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 3k32 h LYS 89 CO -0.21 0.49 0.42 1.15 -0.57 0.00 0.00 179.45 180.73 3k32 h THR 90 N 0.53 0.81 -0.75 -0.16 2.02 -0.97 0.16 112.91 114.55 3k32 h THR 90 Ca 0.14 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3k32 h THR 90 Cb 0.09 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 3k32 h THR 90 CO -0.02 0.12 0.40 0.58 0.37 0.00 0.00 175.52 176.97 3k32 h VAL 91 N 0.66 1.23 -0.14 3.16 2.07 0.49 -2.76 116.25 120.96 3k32 h VAL 91 Ca 0.41 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3k32 h VAL 91 Cb 0.48 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3k32 h VAL 91 CO -0.30 0.26 0.08 -0.07 0.02 0.00 0.00 177.57 177.55 3k32 h LEU 92 N 1.04 0.18 -0.80 2.57 3.38 0.10 -1.55 115.31 120.23 3k32 h LEU 92 Ca 0.26 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.29 3k32 h LEU 92 Cb 0.05 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3k32 h LEU 92 CO -0.04 0.21 0.38 -0.33 0.09 0.00 0.00 178.44 178.75 3k32 h GLU 93 N 0.13 0.55 -0.05 1.13 4.39 -0.68 0.54 114.58 120.59 3k32 h GLU 93 Ca 0.05 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3k32 h GLU 93 Cb 0.07 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3k32 h GLU 93 CO -0.01 0.36 -0.14 0.82 -1.16 0.00 0.00 179.01 178.88 3k32 h ILE 94 N 0.56 1.45 -0.32 3.13 2.04 -1.19 -2.73 117.51 120.45 3k32 h ILE 94 Ca 0.43 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3k32 h ILE 94 Cb 0.60 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 3k32 h ILE 94 CO -0.36 0.43 0.19 -0.07 0.00 0.00 0.00 178.15 178.33 3k32 h LEU 95 N -0.36 0.37 -0.18 1.44 4.07 -1.12 -2.52 115.31 117.03 3k32 h LEU 95 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3k32 h LEU 95 Cb 0.76 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3k32 h LEU 95 CO 0.03 0.29 0.00 0.00 -1.08 0.00 0.00 178.44 177.68 3k32 n ALA 96 N -2.49 1.51 1.02 1.53 0.00 0.17 -1.02 120.51 121.22 3k32 n ALA 96 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3k32 n ALA 96 Cb 0.08 -1.22 0.31 0.00 0.00 0.00 0.00 19.45 18.62 3k32 n ALA 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k32 n ASP 97 N -1.65 0.48 -0.04 0.00 8.00 -0.95 -4.30 116.55 118.09 3k32 n ASP 97 Ca 0.02 -0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.26 3k32 n ASP 97 Cb 0.14 0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 3k32 n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k32 n GLU 98 N -1.43 1.16 -5.02 -1.24 -0.58 -0.19 -5.06 120.64 108.27 3k32 n GLU 98 Ca 0.06 0.03 -0.28 0.00 -0.42 0.00 0.00 57.16 56.56 3k32 n GLU 98 Cb 0.34 -1.17 -0.15 0.00 -0.57 0.00 0.00 31.44 29.88 3k32 n GLU 98 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3k32 s TYR 99 N -2.17 1.97 0.09 -0.32 2.02 -0.41 -5.04 117.35 113.48 3k32 s TYR 99 Ca -0.09 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3k32 s TYR 99 Cb 0.03 -1.25 -0.25 0.00 -0.40 0.00 0.00 41.96 40.09 3k32 s TYR 99 CO 0.23 -0.01 1.16 0.77 -1.57 0.00 0.00 175.55 176.13 3k32 h SER 100 N 5.45 0.20 -3.68 2.29 0.02 -1.88 -3.42 113.55 112.53 3k32 h SER 100 Ca -0.41 -0.23 -0.65 0.00 -0.84 0.00 0.00 61.79 59.66 3k32 h SER 100 Cb 1.14 -0.07 -0.37 0.00 0.14 0.00 0.00 62.40 63.24 3k32 h SER 100 CO 0.47 1.18 -0.81 -0.63 -1.14 0.00 0.00 176.83 175.90 3k32 s ILE 101 N -2.68 1.98 0.12 3.27 1.01 -1.26 -0.82 121.20 122.83 3k32 s ILE 101 Ca -0.02 -1.41 0.07 0.00 0.00 0.00 0.00 60.65 59.29 3k32 s ILE 101 Cb 0.08 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3k32 s ILE 101 CO 0.85 0.05 -0.04 -0.76 0.00 0.00 0.00 174.94 175.03 3k32 s LEU 102 N 1.21 3.23 0.06 2.97 1.02 0.06 -1.09 118.68 126.14 3k32 s LEU 102 Ca -0.06 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.60 3k32 s LEU 102 Cb -0.19 -1.96 0.02 0.00 0.02 0.00 0.00 46.19 44.09 3k32 s LEU 102 CO -0.06 0.15 0.33 0.00 0.02 0.00 0.00 176.35 176.78 3k32 s ALA 103 N -1.42 -0.74 0.00 4.21 0.00 0.04 -0.66 121.76 123.20 3k32 s ALA 103 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3k32 s ALA 103 Cb -0.11 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3k32 s ALA 103 CO 0.16 -0.46 0.00 -0.40 0.00 0.00 0.00 175.76 175.06 3k32 n ASP 104 N 0.39 0.00 -0.82 0.00 5.68 -1.09 -0.46 116.55 120.25 3k32 n ASP 104 Ca -0.18 -0.74 0.07 0.00 -0.50 0.00 0.00 54.79 53.44 3k32 n ASP 104 Cb 0.60 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.80 3k32 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k32 n GLY 105 N 0.00 3.27 3.61 6.12 0.00 -1.26 -4.45 105.19 112.49 3k32 n GLY 105 Ca 0.00 -0.68 -0.51 0.00 0.00 0.00 0.00 46.02 44.83 3k32 n GLY 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k32 n THR 106 N 0.16 0.02 -4.23 2.61 -1.04 -1.26 -4.85 114.28 105.70 3k32 n THR 106 Ca 0.17 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.93 3k32 n THR 106 Cb 0.65 -1.01 -0.07 0.00 -1.82 0.00 0.00 70.33 68.08 3k32 n THR 106 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k32 s ARG 107 N 0.78 2.43 0.30 -2.82 3.00 -1.26 -4.17 118.95 117.21 3k32 s ARG 107 Ca 0.84 -1.22 0.04 0.00 0.00 0.00 0.00 55.73 55.39 3k32 s ARG 107 Cb -0.90 -2.31 0.79 0.00 0.00 0.00 0.00 34.95 32.53 3k32 s ARG 107 CO 0.46 0.41 1.63 -0.09 0.00 0.00 0.00 175.30 177.71 3k32 h ARG 108 N 2.24 0.17 0.00 3.54 2.43 -1.58 -1.24 114.38 119.94 3k32 h ARG 108 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3k32 h ARG 108 Cb 1.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3k32 h ARG 108 CO 0.59 0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.91 3k32 n ASP 109 N -5.25 0.00 -4.76 -3.80 8.00 -1.26 -4.82 116.55 104.65 3k32 n ASP 109 Ca 0.23 0.38 -0.39 0.00 0.71 0.00 0.00 54.79 55.73 3k32 n ASP 109 Cb 0.76 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 3k32 n ASP 109 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3k32 s ASP 110 N -2.92 7.28 -0.02 -2.24 1.01 -0.47 -4.93 116.67 114.37 3k32 s ASP 110 Ca 0.16 2.10 0.22 0.00 0.71 0.00 0.00 52.55 55.74 3k32 s ASP 110 Cb 0.19 -2.61 -0.33 0.00 1.01 0.00 0.00 42.92 41.18 3k32 s ASP 110 CO 0.51 -0.12 0.49 0.54 0.21 0.00 0.00 175.17 176.80 3k32 n ARG 111 N 0.97 0.66 -3.65 8.23 1.74 -1.26 -4.90 116.66 118.45 3k32 n ARG 111 Ca 0.00 -0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 56.80 3k32 n ARG 111 Cb 0.47 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 3k32 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k32 s VAL 112 N -3.52 -0.00 0.50 1.55 1.01 -1.26 -4.30 120.40 114.37 3k32 s VAL 112 Ca -0.08 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 3k32 s VAL 112 Cb 0.14 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 3k32 s VAL 112 CO 0.91 0.00 0.85 -2.16 0.00 0.00 0.00 175.10 174.70 3k32 s PRO 113 N 1.31 3.64 -0.28 2.72 0.04 -1.26 -5.04 135.00 136.12 3k32 s PRO 113 Ca -0.08 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.21 3k32 s PRO 113 Cb -0.05 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.31 3k32 s PRO 113 CO -0.14 -0.25 0.93 -1.59 0.04 0.00 0.00 177.00 175.98 3k32 s LYS 114 N -4.58 0.51 0.26 4.56 -2.85 -1.26 -4.88 119.74 111.49 3k32 s LYS 114 Ca 0.51 0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 55.94 3k32 s LYS 114 Cb -0.10 0.16 -0.10 0.00 -2.06 0.00 0.00 37.83 35.73 3k32 s LYS 114 CO 0.43 -0.09 1.34 -0.51 0.10 0.00 0.00 175.35 176.62 3k32 s LEU 115 N 0.97 4.42 1.25 2.77 2.01 -1.26 -5.03 118.68 123.80 3k32 s LEU 115 Ca -0.05 2.56 -0.21 0.00 0.01 0.00 0.00 54.13 56.45 3k32 s LEU 115 Cb -0.04 -3.63 0.31 0.00 0.01 0.00 0.00 46.19 42.84 3k32 s LEU 115 CO -0.12 -0.56 1.09 -0.94 1.01 0.00 0.00 176.35 176.83 3k32 s SER 116 N 0.02 0.47 0.14 2.29 1.04 -1.26 -4.83 113.70 111.57 3k32 s SER 116 Ca 0.54 0.59 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 3k32 s SER 116 Cb -0.39 -0.79 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 3k32 s SER 116 CO 0.45 -4.39 1.51 0.22 0.98 0.00 0.00 173.24 172.00 3k32 h TYR 117 N -2.77 1.06 -0.24 5.02 -0.00 -1.99 -2.12 116.97 115.92 3k32 h TYR 117 Ca -0.43 -0.28 -0.17 0.00 -0.00 0.00 0.00 58.73 57.85 3k32 h TYR 117 Cb 1.29 -0.24 -0.00 0.00 -0.00 0.00 0.00 36.73 37.78 3k32 h TYR 117 CO -2.59 1.08 -0.55 0.66 -0.00 0.00 0.00 178.16 176.76 3k32 h SER 118 N 0.73 0.81 -0.74 -2.11 4.64 -1.99 -0.42 113.55 114.48 3k32 h SER 118 Ca 0.09 -0.44 0.08 0.00 -0.47 0.00 0.00 61.79 61.05 3k32 h SER 118 Cb 0.82 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 3k32 h SER 118 CO 0.07 1.20 0.41 -0.33 -0.87 0.00 0.00 176.83 177.31 3k32 h GLU 119 N 0.56 0.70 0.06 4.77 5.08 -1.91 -0.22 114.58 123.61 3k32 h GLU 119 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k32 h GLU 119 Cb 1.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3k32 h GLU 119 CO 0.11 0.46 -0.03 0.82 -1.00 0.00 0.00 179.01 179.38 3k32 h ILE 120 N 0.72 1.17 -0.72 3.13 2.04 -1.14 -1.28 117.51 121.43 3k32 h ILE 120 Ca 0.34 -0.80 0.15 0.00 1.00 0.00 0.00 64.86 65.56 3k32 h ILE 120 Cb 0.28 1.69 -0.11 0.00 -0.74 0.00 0.00 36.82 37.94 3k32 h ILE 120 CO -0.22 0.20 0.18 1.56 0.00 0.00 0.00 178.15 179.87 3k32 h GLN 121 N -0.44 0.27 -0.18 2.37 4.20 -0.95 -1.74 115.11 118.64 3k32 h GLN 121 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3k32 h GLN 121 Cb 0.39 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3k32 h GLN 121 CO 0.01 0.18 0.10 1.03 -0.67 0.00 0.00 178.83 179.48 3k32 h SER 122 N 0.28 0.23 -0.49 1.46 0.87 -0.81 -3.17 113.55 111.92 3k32 h SER 122 Ca 0.40 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3k32 h SER 122 Cb 0.67 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3k32 h SER 122 CO -0.49 0.25 0.20 0.25 -0.53 0.00 0.00 176.83 176.51 3k32 h LEU 123 N 0.19 0.68 -1.18 2.23 6.46 -0.52 0.42 115.31 123.59 3k32 h LEU 123 Ca 0.06 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3k32 h LEU 123 Cb 0.07 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 3k32 h LEU 123 CO -0.01 0.65 0.00 -0.62 -0.62 0.00 0.00 178.44 177.84 3k32 n GLU 124 N -4.57 0.46 0.00 1.25 1.02 -0.72 -1.25 120.64 116.83 3k32 n GLU 124 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3k32 n GLU 124 Cb 0.15 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3k32 n GLU 124 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k32 n ARG 126 N 0.36 0.00 0.00 3.49 1.74 0.15 -2.04 116.66 120.36 3k32 n ARG 126 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3k32 n ARG 126 Cb 0.13 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.59 3k32 n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3k32 n LYS 127 N 0.00 1.11 -3.81 5.56 4.01 -0.38 -5.00 118.16 119.66 3k32 n LYS 127 Ca 0.00 -0.82 -0.23 0.00 -0.51 0.00 0.00 58.31 56.75 3k32 n LYS 127 Cb 0.00 -1.11 0.01 0.00 -0.51 0.00 0.00 35.03 33.42 3k32 n LYS 127 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3k32 n ASN 128 N 0.15 -0.95 -4.57 4.39 5.15 -0.86 -4.97 115.26 113.60 3k32 n ASN 128 Ca 0.04 -0.89 -0.27 0.00 -0.60 0.00 0.00 54.58 52.87 3k32 n ASN 128 Cb 0.20 -3.66 -0.11 0.00 -0.53 0.00 0.00 39.78 35.69 3k32 n ASN 128 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3k32 s ILE 129 N -3.77 2.16 -0.21 -1.44 -4.36 -1.18 -4.85 121.20 107.55 3k32 s ILE 129 Ca 0.03 -2.14 -0.07 0.00 -0.26 0.00 0.00 60.65 58.20 3k32 s ILE 129 Cb -0.01 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 3k32 s ILE 129 CO 0.84 -0.14 0.06 -1.10 0.24 0.00 0.00 174.94 174.85 3k32 s GLN 130 N -3.64 3.84 -0.24 0.37 -0.21 0.00 -4.51 119.66 115.27 3k32 s GLN 130 Ca 0.33 -0.40 -0.08 0.00 0.02 0.00 0.00 55.36 55.23 3k32 s GLN 130 Cb 0.05 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 3k32 s GLN 130 CO 0.17 0.09 0.08 -0.47 -2.12 0.00 0.00 175.29 173.04 3k32 s TYR 131 N 0.86 3.14 -0.16 0.91 5.04 -1.26 -0.76 117.35 125.12 3k32 s TYR 131 Ca 0.03 -0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 3k32 s TYR 131 Cb -0.14 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 39.97 3k32 s TYR 131 CO 0.02 -0.21 -0.20 0.42 -1.34 0.00 0.00 175.55 174.24 3k32 s ILE 132 N 1.34 2.01 -0.71 3.14 1.01 0.17 -5.00 121.20 123.15 3k32 s ILE 132 Ca 0.05 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3k32 s ILE 132 Cb -0.15 -1.80 0.17 0.00 0.01 0.00 0.00 42.46 40.70 3k32 s ILE 132 CO 0.04 0.54 0.51 0.42 0.00 0.00 0.00 174.94 176.44 3k32 s THR 133 N 1.07 2.98 0.36 2.92 -4.23 -1.26 -2.67 115.64 114.81 3k32 s THR 133 Ca -0.01 -4.25 0.05 0.00 -1.18 0.00 0.00 61.69 56.31 3k32 s THR 133 Cb -0.14 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.03 3k32 s THR 133 CO -0.07 -1.01 1.98 1.55 -0.54 0.00 0.00 174.62 176.53 3k32 h PRO 134 N 5.45 0.73 -4.40 3.99 0.13 -1.86 -3.41 132.00 132.62 3k32 h PRO 134 Ca 0.14 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.56 3k32 h PRO 134 Cb 0.76 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3k32 h PRO 134 CO 0.73 0.48 2.65 1.28 -0.23 0.00 0.00 178.00 182.91 3k32 n LEU 135 N -4.47 5.50 0.00 1.56 4.77 -1.26 -4.71 117.00 118.39 3k32 n LEU 135 Ca 0.09 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 3k32 n LEU 135 Cb 0.18 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 3k32 n LEU 135 CO 0.34 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3k32 n GLY 137 N 4.45 0.00 3.14 -0.72 0.00 -1.26 -2.73 105.19 108.06 3k32 n GLY 137 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 3k32 n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k32 s PHE 138 N 0.00 2.70 0.69 1.61 0.40 -1.26 -4.99 117.98 117.12 3k32 s PHE 138 Ca 0.00 -1.49 -0.11 0.00 -0.60 0.00 0.00 56.93 54.73 3k32 s PHE 138 Cb 0.00 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.67 3k32 s PHE 138 CO 0.00 -0.71 1.06 0.20 0.70 0.00 0.00 175.22 176.48 3k32 s GLY 139 N 1.06 1.65 0.34 4.36 0.00 -1.26 -3.64 107.32 109.83 3k32 s GLY 139 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 44.72 44.68 3k32 s GLY 139 CO -0.08 0.19 1.58 -1.82 0.00 0.00 0.00 173.10 172.98 3k32 h TYR 140 N -0.61 0.40 -0.10 1.90 5.03 -1.99 -1.17 116.97 120.43 3k32 h TYR 140 Ca -0.45 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 60.90 3k32 h TYR 140 Cb 1.22 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 3k32 h TYR 140 CO 0.58 -0.43 -0.01 0.87 -1.32 0.00 0.00 178.16 177.85 3k32 h LYS 141 N 0.03 0.19 0.50 1.82 1.57 -1.99 -0.68 116.57 118.02 3k32 h LYS 141 Ca 0.71 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.40 3k32 h LYS 141 Cb 1.68 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.98 3k32 h LYS 141 CO -0.83 0.47 -0.24 1.15 -0.57 0.00 0.00 179.45 179.43 3k32 h THR 142 N -0.11 0.49 -1.01 -0.16 2.02 -1.69 -1.33 112.91 111.12 3k32 h THR 142 Ca 0.03 -0.11 0.24 0.00 0.77 0.00 0.00 66.41 67.34 3k32 h THR 142 Cb 0.39 0.55 -0.12 0.00 -1.74 0.00 0.00 68.15 67.23 3k32 h THR 142 CO 0.01 0.02 0.61 -0.07 0.37 0.00 0.00 175.52 176.46 3k32 h LEU 143 N -0.75 0.64 -0.30 2.58 3.38 -1.22 0.12 115.31 119.76 3k32 h LEU 143 Ca -0.07 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3k32 h LEU 143 Cb 0.55 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k32 h LEU 143 CO 0.11 0.12 0.13 -0.09 0.09 0.00 0.00 178.44 178.80 3k32 h ARG 144 N 0.57 0.44 -0.82 1.13 2.43 -0.46 -0.02 114.38 117.65 3k32 h ARG 144 Ca 0.63 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.71 3k32 h ARG 144 Cb 1.25 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 3k32 h ARG 144 CO -0.43 0.44 0.45 1.25 -1.51 0.00 0.00 179.97 180.18 3k32 h HIS 145 N 0.33 1.12 -0.23 2.20 2.76 0.26 -2.49 115.15 119.10 3k32 h HIS 145 Ca 0.10 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 3k32 h HIS 145 Cb 0.16 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3k32 h HIS 145 CO -0.01 0.78 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.88 3k32 h LEU 146 N 1.13 0.62 0.15 0.26 3.38 -0.70 -2.10 115.31 118.05 3k32 h LEU 146 Ca 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k32 h LEU 146 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3k32 h LEU 146 CO -0.05 0.98 -0.07 0.00 0.09 0.00 0.00 178.44 179.39 3k32 h ALA 147 N 1.05 -0.20 -0.38 1.53 0.00 -0.88 -2.19 119.26 118.18 3k32 h ALA 147 Ca 0.03 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3k32 h ALA 147 Cb 0.96 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3k32 h ALA 147 CO 0.09 -0.50 0.32 0.66 0.00 0.00 0.00 179.25 179.82 3k32 h SER 148 N -0.44 0.00 -0.00 0.00 4.64 -1.35 0.49 113.55 116.90 3k32 h SER 148 Ca -0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 3k32 h SER 148 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3k32 h SER 148 CO 0.03 0.00 -0.39 -0.33 -0.87 0.00 0.00 176.83 175.28 3k32 h GLU 149 N 0.00 0.26 0.00 4.77 4.39 -0.99 -3.37 114.58 119.64 3k32 h GLU 149 Ca 0.18 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3k32 h GLU 149 Cb 0.83 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3k32 h GLU 149 CO -0.00 0.99 -0.95 0.74 -1.16 0.00 0.00 179.01 178.63 3k32 h PHE 150 N -0.35 0.00 -3.97 4.33 0.04 -0.68 -3.43 116.94 112.88 3k32 h PHE 150 Ca -0.05 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.25 3k32 h PHE 150 Cb 1.13 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.05 3k32 h PHE 150 CO 0.17 0.08 -0.80 -0.06 -0.60 0.00 0.00 178.31 177.10 3k32 s PHE 151 N -3.29 1.41 -0.14 -0.55 0.08 0.07 0.20 117.98 115.76 3k32 s PHE 151 Ca 0.00 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.41 3k32 s PHE 151 Cb 0.09 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3k32 s PHE 151 CO 0.78 0.10 0.62 0.42 -0.10 0.00 0.00 175.22 177.04 3k32 s ILE 152 N -1.14 5.06 0.39 0.64 1.01 0.24 -4.63 121.20 122.77 3k32 s ILE 152 Ca 0.02 1.23 0.08 0.00 0.00 0.00 0.00 60.65 61.97 3k32 s ILE 152 Cb -0.10 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 3k32 s ILE 152 CO 0.03 0.20 0.05 -0.76 0.00 0.00 0.00 174.94 174.45 3k32 s LEU 153 N 1.31 2.96 -0.02 2.97 1.43 -1.26 -0.45 118.68 125.63 3k32 s LEU 153 Ca 0.31 -1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 3k32 s LEU 153 Cb -0.16 -1.19 0.11 0.00 0.03 0.00 0.00 46.19 44.98 3k32 s LEU 153 CO 0.13 -0.40 1.17 -0.70 0.23 0.00 0.00 176.35 176.78 3k32 s GLU 154 N -3.76 0.57 -0.18 1.70 2.12 -0.94 -4.84 118.70 113.37 3k32 s GLU 154 Ca 0.37 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.33 3k32 s GLU 154 Cb 0.05 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 3k32 s GLU 154 CO 0.20 -0.26 0.07 -1.83 -0.54 0.00 0.00 175.26 172.90 3k32 s GLU 155 N -2.65 3.97 0.00 4.30 4.04 -1.26 0.20 118.70 127.30 3k32 s GLU 155 Ca 0.12 -0.33 0.00 0.00 0.04 0.00 0.00 54.97 54.80 3k32 s GLU 155 Cb 0.02 -3.23 0.00 0.00 0.02 0.00 0.00 34.13 30.94 3k32 s GLU 155 CO -0.03 0.30 0.00 -0.89 -1.84 0.00 0.00 175.26 172.80 3k32 n ILE 156 N 3.46 0.00 0.00 1.83 5.41 0.02 -4.90 119.36 125.17 3k32 n ILE 156 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3k32 n ILE 156 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 3k32 n ILE 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3k32 n SER 163 N 0.00 0.09 -0.10 4.38 3.41 -1.26 -5.03 113.62 115.10 3k32 n SER 163 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3k32 n SER 163 Cb 0.00 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.69 3k32 n SER 163 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k32 n SER 164 N 0.00 0.36 -4.20 4.04 7.64 -1.21 -4.17 113.62 116.08 3k32 n SER 164 Ca 0.00 -0.76 -0.29 0.00 1.01 0.00 0.00 58.87 58.82 3k32 n SER 164 Cb 0.00 -0.07 0.23 0.00 -1.01 0.00 0.00 64.21 63.36 3k32 n SER 164 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3k32 s ASP 165 N -2.27 1.17 0.66 6.43 3.84 -1.26 -4.73 116.67 120.50 3k32 s ASP 165 Ca 0.36 1.02 0.36 0.00 -0.00 0.00 0.00 52.55 54.29 3k32 s ASP 165 Cb 0.21 -1.55 1.94 0.00 -1.38 0.00 0.00 42.92 42.14 3k32 s ASP 165 CO 0.42 -4.02 2.11 1.88 -0.00 0.00 0.00 175.17 175.57 3k32 h TYR 166 N -2.50 0.00 -0.20 2.11 0.05 -1.89 -3.11 116.97 111.42 3k32 h TYR 166 Ca -0.52 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.22 3k32 h TYR 166 Cb 1.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 3k32 h TYR 166 CO -0.95 0.00 -0.01 1.49 -1.05 0.00 0.00 178.16 177.64 3k32 h GLU 167 N 0.00 0.36 -0.78 4.88 4.81 -1.89 -2.47 114.58 119.49 3k32 h GLU 167 Ca 0.01 -0.12 0.15 0.00 -0.13 0.00 0.00 59.36 59.27 3k32 h GLU 167 Cb 0.40 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.60 3k32 h GLU 167 CO -0.00 0.57 -0.23 0.00 -0.73 0.00 0.00 179.01 178.63 3k32 h ALA 168 N 0.78 0.43 0.03 2.92 0.00 -1.70 0.32 119.26 122.04 3k32 h ALA 168 Ca 0.06 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3k32 h ALA 168 Cb 0.42 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3k32 h ALA 168 CO 0.01 -0.45 -0.02 0.93 0.00 0.00 0.00 179.25 179.73 3k32 h GLU 169 N -0.02 -0.04 -0.52 0.00 5.08 -1.76 -2.79 114.58 114.53 3k32 h GLU 169 Ca 0.36 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.83 3k32 h GLU 169 Cb 0.58 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 3k32 h GLU 169 CO -0.81 0.49 -0.15 0.82 -1.00 0.00 0.00 179.01 178.35 3k32 h ILE 170 N -0.60 0.44 -0.89 3.13 2.04 -0.92 0.28 117.51 120.98 3k32 h ILE 170 Ca -0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.08 3k32 h ILE 170 Cb 0.55 0.44 -0.13 0.00 -0.74 0.00 0.00 36.82 36.94 3k32 h ILE 170 CO 0.01 0.00 0.36 0.03 0.00 0.00 0.00 178.15 178.55 3k32 h ARG 171 N -0.03 0.33 -0.33 2.37 3.08 -0.39 -1.51 114.38 117.90 3k32 h ARG 171 Ca 0.25 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 3k32 h ARG 171 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3k32 h ARG 171 CO -0.55 0.22 -0.07 1.25 -1.07 0.00 0.00 179.97 179.75 3k32 h HIS 172 N 0.34 0.70 -0.90 3.04 2.76 -0.19 -0.10 115.15 120.81 3k32 h HIS 172 Ca 0.56 -0.15 0.04 0.00 -2.20 0.00 0.00 60.37 58.63 3k32 h HIS 172 Cb 1.10 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 3k32 h HIS 172 CO -0.16 0.79 0.58 0.82 -1.30 0.00 0.00 177.93 178.66 3k32 h ILE 173 N 0.41 1.12 -0.82 6.26 2.04 -0.68 0.48 117.51 126.33 3k32 h ILE 173 Ca 0.08 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3k32 h ILE 173 Cb 0.56 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 3k32 h ILE 173 CO 0.03 0.20 0.38 -0.07 0.00 0.00 0.00 178.15 178.69 3k32 h LEU 174 N 1.10 1.07 -0.25 1.44 3.38 -0.91 -1.43 115.31 119.72 3k32 h LEU 174 Ca 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3k32 h LEU 174 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3k32 h LEU 174 CO -0.14 0.91 0.14 0.11 0.09 0.00 0.00 178.44 179.55 3k32 h LYS 175 N 1.16 0.34 -0.65 1.13 1.57 0.40 -0.46 116.57 120.07 3k32 h LYS 175 Ca 0.28 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 3k32 h LYS 175 Cb 0.13 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3k32 h LYS 175 CO -0.03 0.30 0.43 0.93 -0.57 0.00 0.00 179.45 180.51 3k32 h GLU 176 N 0.29 0.46 -0.00 3.15 5.08 0.30 -2.03 114.58 121.83 3k32 h GLU 176 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3k32 h GLU 176 Cb 0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3k32 h GLU 176 CO -0.01 0.30 -0.16 0.54 -1.00 0.00 0.00 179.01 178.68 3k32 n ARG 177 N -4.48 0.26 -0.50 2.33 1.74 -0.57 -4.89 116.66 110.55 3k32 n ARG 177 Ca 0.11 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3k32 n ARG 177 Cb 0.37 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3k32 n ARG 177 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k32 n GLY 178 N 1.41 0.73 3.89 -0.13 0.00 -0.76 -5.07 105.19 105.25 3k32 n GLY 178 Ca 0.10 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3k32 n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k32 s GLU 179 N -0.69 2.88 -0.44 1.61 0.41 -0.28 -5.02 118.70 117.17 3k32 s GLU 179 Ca 0.00 0.43 -0.10 0.00 -0.41 0.00 0.00 54.97 54.89 3k32 s GLU 179 Cb 0.00 -2.04 0.10 0.00 -1.78 0.00 0.00 34.13 30.40 3k32 s GLU 179 CO 0.00 -1.00 0.30 -1.54 -0.49 0.00 0.00 175.26 172.54 3k32 s SER 180 N -4.35 5.69 0.55 -0.19 1.04 -1.26 -4.32 113.70 110.86 3k32 s SER 180 Ca 0.58 -1.67 0.30 0.00 0.48 0.00 0.00 55.95 55.64 3k32 s SER 180 Cb -0.11 -2.01 1.47 0.00 0.10 0.00 0.00 66.02 65.47 3k32 s SER 180 CO 0.51 -0.61 1.89 -0.65 0.98 0.00 0.00 173.24 175.36 3k32 h PRO 181 N 8.45 0.00 0.00 4.02 0.11 -1.89 0.22 132.00 142.90 3k32 h PRO 181 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3k32 h PRO 181 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k32 h PRO 181 CO 0.81 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.99 3k32 n GLU 182 N -4.11 0.00 0.02 1.05 -0.58 -1.26 -1.48 120.64 114.28 3k32 n GLU 182 Ca 0.15 0.39 0.13 0.00 -0.42 0.00 0.00 57.16 57.42 3k32 n GLU 182 Cb 0.88 -1.51 0.42 0.00 -0.57 0.00 0.00 31.44 30.65 3k32 n GLU 182 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3k32 n LYS 183 N -1.52 0.06 0.00 3.49 4.81 0.76 -4.18 118.16 121.58 3k32 n LYS 183 Ca 0.02 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3k32 n LYS 183 Cb 0.08 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.57 3k32 n LYS 183 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3k32 n TYR 184 N -1.66 0.00 -4.33 5.64 4.02 -0.55 -5.01 117.16 115.27 3k32 n TYR 184 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.61 3k32 n TYR 184 Cb 0.36 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.53 3k32 n TYR 184 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3k32 s PHE 185 N -1.83 2.84 0.52 -0.72 0.40 -0.96 -4.59 117.98 113.63 3k32 s PHE 185 Ca 0.00 -1.03 -0.09 0.00 -0.60 0.00 0.00 56.93 55.21 3k32 s PHE 185 Cb 0.00 -1.95 0.13 0.00 0.51 0.00 0.00 43.02 41.72 3k32 s PHE 185 CO 0.00 -0.50 0.38 -0.35 0.70 0.00 0.00 175.22 175.45 3k32 n PRO 186 N 4.26 -2.50 -3.91 0.24 -0.04 -1.26 -4.76 135.00 127.03 3k32 n PRO 186 Ca -0.19 -0.61 -0.34 0.00 -0.04 0.00 0.00 63.50 62.32 3k32 n PRO 186 Cb 0.51 -0.68 -0.05 0.00 -0.04 0.00 0.00 33.50 33.24 3k32 n PRO 186 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3k32 s GLU 187 N -3.87 3.43 0.14 0.54 0.41 -1.26 -5.11 118.70 112.98 3k32 s GLU 187 Ca 0.26 -0.30 0.07 0.00 -0.41 0.00 0.00 54.97 54.60 3k32 s GLU 187 Cb -0.04 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.17 3k32 s GLU 187 CO 0.21 0.69 -0.07 -1.01 -0.49 0.00 0.00 175.26 174.59 3k32 s HIS 188 N -1.28 2.76 -0.57 1.61 3.76 -1.26 -5.08 115.29 115.23 3k32 s HIS 188 Ca 0.26 -0.16 -0.25 0.00 -0.15 0.00 0.00 55.06 54.75 3k32 s HIS 188 Cb -0.13 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.22 3k32 s HIS 188 CO 0.17 0.48 1.02 0.15 -0.85 0.00 0.00 174.74 175.70 3k32 s LYS 189 N -2.57 3.36 -0.81 1.40 3.01 -1.26 -4.93 119.74 117.94 3k32 s LYS 189 Ca 0.24 -0.17 -0.17 0.00 -1.01 0.00 0.00 55.97 54.86 3k32 s LYS 189 Cb -0.10 -4.06 -0.12 0.00 -1.01 0.00 0.00 37.83 32.54 3k32 s LYS 189 CO 0.16 -1.58 1.97 1.04 0.51 0.00 0.00 175.35 177.45 3k32 n GLN 190 N 7.80 1.66 -4.74 1.68 1.13 -1.26 -4.85 117.38 118.79 3k32 n GLN 190 Ca 0.03 -1.74 -0.33 0.00 -1.94 0.00 0.00 57.00 53.03 3k32 n GLN 190 Cb 0.48 -2.79 -0.14 0.00 0.11 0.00 0.00 30.24 27.90 3k32 n GLN 190 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k32 s THR 191 N 4.55 3.15 0.14 5.09 2.01 -1.26 -0.80 115.64 128.52 3k32 s THR 191 Ca 0.52 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 61.97 3k32 s THR 191 Cb 0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3k32 s THR 191 CO 0.07 0.53 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.79 3k32 s ARG 192 N 0.27 1.93 -0.41 4.92 3.52 0.13 -4.41 118.95 124.90 3k32 s ARG 192 Ca -0.09 -1.20 -0.17 0.00 -0.13 0.00 0.00 55.73 54.15 3k32 s ARG 192 Cb -0.15 -2.15 0.02 0.00 -1.56 0.00 0.00 34.95 31.10 3k32 s ARG 192 CO 0.05 0.47 0.43 0.08 -0.81 0.00 0.00 175.30 175.52 3k32 s VAL 193 N -1.37 5.10 -0.09 7.11 1.01 -1.26 -2.21 120.40 128.68 3k32 s VAL 193 Ca 0.21 -0.28 0.22 0.00 0.00 0.00 0.00 61.98 62.14 3k32 s VAL 193 Cb -0.10 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 32.01 3k32 s VAL 193 CO 0.12 -0.37 0.62 0.52 0.00 0.00 0.00 175.10 175.99 3k32 n VAL 194 N 5.41 0.14 -3.46 2.92 0.31 0.40 -4.87 118.33 119.19 3k32 n VAL 194 Ca -0.07 -0.51 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 3k32 n VAL 194 Cb 0.48 -0.07 -0.03 0.00 -0.91 0.00 0.00 33.84 33.31 3k32 n VAL 194 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3k32 s GLY 195 N -4.47 -0.56 0.05 2.92 0.00 -1.10 -4.97 107.32 99.21 3k32 s GLY 195 Ca -0.06 0.79 -0.31 0.00 0.00 0.00 0.00 44.72 45.15 3k32 s GLY 195 CO 0.88 0.34 1.22 1.08 0.00 0.00 0.00 173.10 176.62 3k32 s LEU 196 N -2.43 4.36 0.31 0.66 1.02 -1.26 -0.59 118.68 120.75 3k32 s LEU 196 Ca 0.01 2.03 0.15 0.00 0.02 0.00 0.00 54.13 56.34 3k32 s LEU 196 Cb -0.01 -3.58 0.40 0.00 0.02 0.00 0.00 46.19 43.02 3k32 s LEU 196 CO -0.09 -0.50 1.60 0.50 0.02 0.00 0.00 176.35 177.88 3k32 h LYS 197 N 6.89 0.00 0.00 1.70 3.64 0.21 -3.43 116.57 125.58 3k32 h LYS 197 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3k32 h LYS 197 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3k32 h LYS 197 CO 0.82 0.52 0.00 0.36 -2.27 0.00 0.00 179.45 178.88 3k32 n LYS 198 N -3.50 0.00 0.00 1.90 2.85 -1.25 -4.97 118.16 113.19 3k32 n LYS 198 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3k32 n LYS 198 Cb 0.62 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.00 3k32 n LYS 198 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3k32 n GLU 199 N -1.88 0.00 -0.43 -1.58 0.28 -1.26 -5.20 120.64 110.58 3k32 n GLU 199 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3k32 n GLU 199 Cb 0.00 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.37 3k32 n GLU 199 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08