#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k32 s ASP 5 N 0.00 0.90 -0.12 1.96 1.01 -1.26 -4.80 116.67 114.35 3k32 s ASP 5 Ca 0.00 -0.75 -0.12 0.00 0.71 0.00 0.00 52.55 52.39 3k32 s ASP 5 Cb 0.00 0.07 0.03 0.00 1.01 0.00 0.00 42.92 44.04 3k32 s ASP 5 CO 0.00 -0.34 0.33 0.54 0.21 0.00 0.00 175.17 175.92 3k32 s VAL 6 N -2.40 0.00 -0.27 -1.27 0.11 -0.58 -4.79 120.40 111.19 3k32 s VAL 6 Ca -0.01 -0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 3k32 s VAL 6 Cb -0.03 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3k32 s VAL 6 CO -0.02 -0.02 0.10 -1.00 -3.33 0.00 0.00 175.10 170.83 3k32 s HIS 7 N 0.09 3.12 -0.33 1.54 3.76 0.03 -0.26 115.29 123.23 3k32 s HIS 7 Ca -0.01 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.34 3k32 s HIS 7 Cb -0.03 -2.27 0.04 0.00 1.11 0.00 0.00 32.58 31.43 3k32 s HIS 7 CO 0.01 -0.40 0.08 0.08 -0.85 0.00 0.00 174.74 173.65 3k32 s VAL 8 N 1.61 3.58 0.16 -0.90 1.01 -0.27 -0.72 120.40 124.86 3k32 s VAL 8 Ca 0.05 -1.19 -0.34 0.00 0.00 0.00 0.00 61.98 60.51 3k32 s VAL 8 Cb -0.16 -3.03 -0.15 0.00 0.00 0.00 0.00 36.38 33.05 3k32 s VAL 8 CO 0.04 -0.15 1.45 0.18 0.00 0.00 0.00 175.10 176.62 3k32 n LEU 9 N 4.76 2.65 -3.72 3.92 4.77 -0.15 -0.52 117.00 128.71 3k32 n LEU 9 Ca -0.13 1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.83 3k32 n LEU 9 Cb 0.44 -1.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.04 3k32 n LEU 9 CO 0.30 -0.58 -0.18 0.12 -1.33 0.00 0.00 177.39 175.71 3k32 s PHE 10 N 0.51 -0.24 -0.07 -1.77 5.36 0.13 -4.38 117.98 117.52 3k32 s PHE 10 Ca 0.77 0.64 0.13 0.00 -0.96 0.00 0.00 56.93 57.51 3k32 s PHE 10 Cb -0.75 -0.06 -0.19 0.00 -0.34 0.00 0.00 43.02 41.69 3k32 s PHE 10 CO 0.44 -0.22 0.30 -1.13 -1.46 0.00 0.00 175.22 173.15 3k32 n SER 11 N 4.44 1.97 0.00 6.13 3.41 -1.26 -4.23 113.62 124.09 3k32 n SER 11 Ca -0.22 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3k32 n SER 11 Cb 0.52 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 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 1.74 0.46 3.68 5.00 0.00 -1.26 -3.51 105.19 111.31 3k32 n GLY 12 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.93 1.61 0.34 -0.02 0.00 -1.26 -4.61 107.32 101.45 3k32 s GLY 13 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.75 3k32 s GLY 13 CO 0.00 0.51 1.91 0.07 0.00 0.00 0.00 173.10 175.59 3k32 h LYS 14 N -1.73 0.62 0.73 2.90 2.10 -1.97 -0.76 116.57 118.45 3k32 h LYS 14 Ca -0.50 -0.10 -0.04 0.00 -2.00 0.00 0.00 60.65 58.01 3k32 h LYS 14 Cb 1.29 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3k32 h LYS 14 CO 0.53 0.55 -0.35 -0.44 -2.00 0.00 0.00 179.45 177.74 3k32 h ASP 15 N 0.61 -0.83 -0.98 7.07 3.32 -1.95 -0.35 116.42 123.31 3k32 h ASP 15 Ca 0.14 0.03 0.33 0.00 0.02 0.00 0.00 57.03 57.55 3k32 h ASP 15 Cb 0.20 0.21 -0.16 0.00 0.22 0.00 0.00 39.33 39.80 3k32 h ASP 15 CO -0.01 -0.49 0.43 -1.28 -1.72 0.00 0.00 179.24 176.17 3k32 h SER 16 N -1.17 0.24 -0.56 6.45 0.87 -1.81 0.47 113.55 118.04 3k32 h SER 16 Ca -0.10 0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 3k32 h SER 16 Cb 0.75 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3k32 h SER 16 CO 0.16 -0.26 0.01 0.28 -0.53 0.00 0.00 176.83 176.49 3k32 h SER 17 N 0.16 0.96 -0.92 6.23 0.02 -0.95 -2.25 113.55 116.81 3k32 h SER 17 Ca 0.72 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 61.43 3k32 h SER 17 Cb 1.71 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.93 3k32 h SER 17 CO -0.71 1.02 0.60 -0.07 -1.14 0.00 0.00 176.83 176.53 3k32 h LEU 18 N 0.86 0.94 -0.26 5.07 3.38 0.17 -0.98 115.31 124.48 3k32 h LEU 18 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3k32 h LEU 18 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3k32 h LEU 18 CO 0.03 0.61 0.12 0.77 0.09 0.00 0.00 178.44 180.05 3k32 h SER 19 N 1.07 0.35 0.05 -0.43 4.64 -0.53 0.60 113.55 119.31 3k32 h SER 19 Ca 0.39 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3k32 h SER 19 Cb 0.16 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3k32 h SER 19 CO -0.14 0.40 -0.51 0.00 -0.87 0.00 0.00 176.83 175.70 3k32 h ALA 20 N 0.97 -0.96 -0.83 5.18 0.00 -0.96 -1.02 119.26 121.65 3k32 h ALA 20 Ca 0.09 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3k32 h ALA 20 Cb 0.15 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 3k32 h ALA 20 CO -0.01 -1.10 0.41 0.28 0.00 0.00 0.00 179.25 178.83 3k32 h VAL 21 N -0.69 0.72 -0.09 0.00 2.07 -1.00 -0.47 116.25 116.79 3k32 h VAL 21 Ca 0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3k32 h VAL 21 Cb 0.71 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3k32 h VAL 21 CO -0.31 0.11 0.02 0.40 0.02 0.00 0.00 177.57 177.80 3k32 h ILE 22 N 0.59 1.20 -0.68 4.57 2.04 -0.52 -0.36 117.51 124.36 3k32 h ILE 22 Ca 0.45 -0.63 0.12 0.00 1.00 0.00 0.00 64.86 65.80 3k32 h ILE 22 Cb 0.63 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 3k32 h ILE 22 CO -0.36 0.18 0.25 -0.07 0.00 0.00 0.00 178.15 178.15 3k32 h LEU 23 N -0.07 0.22 -0.96 1.44 4.07 -0.06 0.11 115.31 120.06 3k32 h LEU 23 Ca 0.03 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3k32 h LEU 23 Cb 0.26 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3k32 h LEU 23 CO 0.00 0.11 0.22 0.50 -1.08 0.00 0.00 178.44 178.18 3k32 h LYS 24 N 0.41 0.97 -0.82 1.13 3.64 -0.88 -1.55 116.57 119.47 3k32 h LYS 24 Ca 0.36 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 3k32 h LYS 24 Cb 0.51 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3k32 h LYS 24 CO -0.37 0.82 0.54 0.87 -2.27 0.00 0.00 179.45 179.04 3k32 h LYS 25 N 0.94 0.93 -0.01 1.90 1.79 0.75 -2.27 116.57 120.61 3k32 h LYS 25 Ca 0.21 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3k32 h LYS 25 Cb 0.25 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3k32 h LYS 25 CO -0.01 0.62 0.00 1.28 -1.08 0.00 0.00 179.45 180.26 3k32 n LEU 26 N -4.47 0.17 0.00 2.94 4.77 -0.47 -4.88 117.00 115.06 3k32 n LEU 26 Ca 0.11 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3k32 n LEU 26 Cb 0.16 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3k32 n LEU 26 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3k32 n GLY 27 N 0.95 0.83 3.85 -0.72 0.00 -0.85 -5.08 105.19 104.17 3k32 n GLY 27 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.05 3.41 -0.59 1.61 2.02 -0.93 -4.96 117.35 115.87 3k32 s TYR 28 Ca 0.00 1.12 -0.21 0.00 -0.37 0.00 0.00 57.07 57.61 3k32 s TYR 28 Cb 0.00 -2.46 0.07 0.00 -0.40 0.00 0.00 41.96 39.17 3k32 s TYR 28 CO 0.00 0.17 0.82 1.21 -1.57 0.00 0.00 175.55 176.19 3k32 s ASN 29 N -2.23 6.22 -0.10 2.29 2.47 -1.26 -4.23 114.94 118.09 3k32 s ASN 29 Ca 0.51 -0.95 -0.30 0.00 0.42 0.00 0.00 52.86 52.54 3k32 s ASN 29 Cb -0.11 -2.37 -0.01 0.00 -1.45 0.00 0.00 41.25 37.31 3k32 s ASN 29 CO 0.19 -1.20 1.04 -2.84 -3.72 0.00 0.00 177.10 170.56 3k32 s PRO 30 N 3.40 4.41 -0.50 0.43 0.02 -1.26 -1.53 135.00 139.98 3k32 s PRO 30 Ca 0.20 1.44 -0.09 0.00 0.02 0.00 0.00 61.00 62.56 3k32 s PRO 30 Cb -0.18 -3.54 0.13 0.00 0.02 0.00 0.00 34.50 30.92 3k32 s PRO 30 CO 0.11 -0.33 0.37 -1.01 -0.33 0.00 0.00 177.00 175.81 3k32 s HIS 31 N 2.04 3.44 0.17 6.54 3.76 0.63 -4.27 115.29 127.61 3k32 s HIS 31 Ca 0.49 -1.93 -0.31 0.00 -0.15 0.00 0.00 55.06 53.16 3k32 s HIS 31 Cb -0.19 -3.50 -0.10 0.00 1.11 0.00 0.00 32.58 29.90 3k32 s HIS 31 CO 0.19 -0.99 1.51 -0.51 -0.85 0.00 0.00 174.74 174.09 3k32 s LEU 32 N 1.22 4.37 -0.01 0.89 1.02 -0.69 -1.11 118.68 124.37 3k32 s LEU 32 Ca 0.07 2.57 0.03 0.00 0.02 0.00 0.00 54.13 56.82 3k32 s LEU 32 Cb -0.25 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.36 3k32 s LEU 32 CO -0.01 -0.77 -0.10 0.27 0.02 0.00 0.00 176.35 175.75 3k32 s ILE 33 N 0.93 0.83 -0.14 -0.59 -5.25 0.33 -1.78 121.20 115.53 3k32 s ILE 33 Ca 0.67 -0.44 0.01 0.00 -0.99 0.00 0.00 60.65 59.90 3k32 s ILE 33 Cb -0.42 -0.70 0.02 0.00 2.95 0.00 0.00 42.46 44.30 3k32 s ILE 33 CO 0.33 0.24 -0.17 -0.89 -1.79 0.00 0.00 174.94 172.66 3k32 s THR 34 N -0.19 1.74 0.34 8.37 2.01 -0.89 0.22 115.64 127.25 3k32 s THR 34 Ca 0.03 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 3k32 s THR 34 Cb -0.05 -1.58 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 3k32 s THR 34 CO -0.00 0.49 1.33 -0.63 -0.69 0.00 0.00 174.62 175.11 3k32 s ILE 35 N 1.14 2.64 0.03 1.82 -1.09 -1.26 -1.94 121.20 122.53 3k32 s ILE 35 Ca -0.02 0.65 0.05 0.00 -2.23 0.00 0.00 60.65 59.10 3k32 s ILE 35 Cb -0.14 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 3k32 s ILE 35 CO -0.06 0.15 -0.15 0.21 -1.23 0.00 0.00 174.94 173.86 3k32 s ASN 36 N -0.44 1.78 -0.04 3.58 3.84 0.85 -4.88 114.94 119.63 3k32 s ASN 36 Ca 0.49 -0.41 0.10 0.00 0.21 0.00 0.00 52.86 53.25 3k32 s ASN 36 Cb -0.40 -0.14 0.27 0.00 -0.55 0.00 0.00 41.25 40.42 3k32 s ASN 36 CO 0.54 0.09 1.22 0.49 -2.79 0.00 0.00 177.10 176.65 3k32 n PHE 37 N 2.13 0.40 -0.95 0.43 3.01 -1.26 0.44 117.46 121.65 3k32 n PHE 37 Ca -0.17 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.70 3k32 n PHE 37 Cb 0.55 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 -0.03 0.71 0.02 1.37 0.00 -1.26 -3.82 105.19 102.18 3k32 n GLY 38 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3k32 n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k32 h VAL 39 N 0.00 0.00 -4.07 1.61 2.07 -1.94 -3.49 116.25 110.44 3k32 h VAL 39 Ca 0.00 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 3k32 h VAL 39 Cb 0.05 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.66 3k32 h VAL 39 CO 0.00 0.00 -0.69 0.27 0.02 0.00 0.00 177.57 177.17 3k32 s ILE 40 N -1.66 0.37 0.00 4.57 -4.36 -1.26 -5.06 121.20 113.80 3k32 s ILE 40 Ca -0.01 -1.69 -0.05 0.00 -0.26 0.00 0.00 60.65 58.65 3k32 s ILE 40 Cb 0.00 -1.35 -0.21 0.00 1.25 0.00 0.00 42.46 42.14 3k32 s ILE 40 CO 0.02 -0.86 3.04 -0.81 0.24 0.00 0.00 174.94 176.57 3k32 n PRO 41 N 0.34 1.63 0.00 0.37 -0.04 -1.26 -4.60 135.00 131.44 3k32 n PRO 41 Ca -0.15 -0.79 0.03 0.00 -0.04 0.00 0.00 63.50 62.55 3k32 n PRO 41 Cb 0.60 -1.87 0.20 0.00 -0.04 0.00 0.00 33.50 32.39 3k32 n PRO 41 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k32 n SER 42 N 2.52 0.00 -0.09 3.54 3.41 -1.26 -2.58 113.62 119.15 3k32 n SER 42 Ca 0.34 -0.07 0.14 0.00 -0.26 0.00 0.00 58.87 59.02 3k32 n SER 42 Cb 0.75 -0.11 0.62 0.00 -0.26 0.00 0.00 64.21 65.22 3k32 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k32 n TYR 43 N -1.11 0.00 -0.29 7.33 0.18 -1.26 -3.86 117.16 118.15 3k32 n TYR 43 Ca 0.05 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.89 3k32 n TYR 43 Cb 0.04 -0.20 0.22 0.00 -0.38 0.00 0.00 39.34 39.01 3k32 n TYR 43 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 3k32 h LYS 44 N 0.47 0.62 0.08 -3.48 5.09 -1.83 -2.36 116.57 115.15 3k32 h LYS 44 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.71 3k32 h LYS 44 Cb 0.35 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 32.53 3k32 h LYS 44 CO 0.00 0.41 -0.08 1.25 -2.09 0.00 0.00 179.45 178.94 3k32 h LEU 45 N 0.64 -0.22 -1.31 7.07 7.12 -1.79 -2.31 115.31 124.51 3k32 h LEU 45 Ca 0.45 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.59 3k32 h LEU 45 Cb 0.62 0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 3k32 h LEU 45 CO -0.35 -0.13 0.54 0.00 -0.13 0.00 0.00 178.44 178.37 3k32 h ALA 46 N 0.72 1.76 0.79 1.25 0.00 -1.57 -1.82 119.26 120.39 3k32 h ALA 46 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3k32 h ALA 46 Cb 0.18 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k32 h ALA 46 CO -0.03 0.06 -0.39 0.93 0.00 0.00 0.00 179.25 179.82 3k32 h GLU 47 N 0.75 -1.04 -0.83 0.00 5.08 -1.07 -1.31 114.58 116.16 3k32 h GLU 47 Ca 0.39 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.96 3k32 h GLU 47 Cb 0.51 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 3k32 h GLU 47 CO -0.16 -0.69 0.42 0.93 -1.00 0.00 0.00 179.01 178.51 3k32 h GLU 48 N -1.08 0.60 -0.58 2.33 5.08 -1.14 -2.09 114.58 117.69 3k32 h GLU 48 Ca -0.11 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3k32 h GLU 48 Cb 0.83 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3k32 h GLU 48 CO 0.17 0.40 0.03 1.15 -1.00 0.00 0.00 179.01 179.75 3k32 h THR 49 N 0.62 1.26 -0.70 1.13 2.02 -1.11 -1.77 112.91 114.36 3k32 h THR 49 Ca 0.45 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 3k32 h THR 49 Cb 0.61 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3k32 h THR 49 CO -0.35 0.39 0.33 0.00 0.37 0.00 0.00 175.52 176.26 3k32 h ALA 50 N 1.10 0.90 -0.10 6.16 0.00 -0.64 0.56 119.26 127.23 3k32 h ALA 50 Ca 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3k32 h ALA 50 Cb 0.49 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3k32 h ALA 50 CO 0.02 0.47 -0.12 0.87 0.00 0.00 0.00 179.25 180.49 3k32 h LYS 51 N 0.98 -0.15 -0.78 0.00 1.79 -1.04 0.36 116.57 117.73 3k32 h LYS 51 Ca 0.24 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.76 3k32 h LYS 51 Cb 0.13 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 3k32 h LYS 51 CO -0.03 -0.10 0.49 0.82 -1.08 0.00 0.00 179.45 179.55 3k32 h ILE 52 N -0.15 1.09 0.00 1.86 2.04 -0.93 -0.55 117.51 120.87 3k32 h ILE 52 Ca 0.08 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3k32 h ILE 52 Cb 0.26 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3k32 h ILE 52 CO -0.19 0.17 0.00 -0.07 0.00 0.00 0.00 178.15 178.06 3k32 h LEU 53 N 0.94 0.00 1.01 1.44 4.07 -0.60 -3.46 115.31 118.70 3k32 h LEU 53 Ca 0.32 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.11 3k32 h LEU 53 Cb 0.06 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 3k32 h LEU 53 CO -0.13 0.00 -0.23 0.61 -1.08 0.00 0.00 178.44 177.61 3k32 n GLY 54 N 0.30 0.04 3.67 0.83 0.00 0.10 -5.03 105.19 105.11 3k32 n GLY 54 Ca 0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.51 3.03 0.31 1.61 0.08 0.20 -5.01 117.98 115.70 3k32 s PHE 55 Ca 0.03 0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.82 3k32 s PHE 55 Cb -0.01 -1.62 -0.11 0.00 -0.57 0.00 0.00 43.02 40.70 3k32 s PHE 55 CO 0.03 0.46 1.55 0.15 -0.10 0.00 0.00 175.22 177.31 3k32 s LYS 56 N -1.76 4.13 0.03 0.44 1.02 -1.26 -4.42 119.74 117.93 3k32 s LYS 56 Ca 0.21 2.56 0.03 0.00 0.02 0.00 0.00 55.97 58.79 3k32 s LYS 56 Cb -0.12 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3k32 s LYS 56 CO 0.12 -0.59 -0.10 -1.58 -0.92 0.00 0.00 175.35 172.28 3k32 s HIS 57 N -0.32 0.89 -0.04 3.18 2.46 -1.26 -1.71 115.29 118.48 3k32 s HIS 57 Ca 0.60 -0.35 -0.05 0.00 0.47 0.00 0.00 55.06 55.73 3k32 s HIS 57 Cb -0.47 -0.53 0.01 0.00 -0.13 0.00 0.00 32.58 31.46 3k32 s HIS 57 CO 0.52 -0.01 0.13 0.21 -2.47 0.00 0.00 174.74 173.12 3k32 s LYS 58 N -1.11 0.23 -0.15 2.88 2.20 -0.73 -5.01 119.74 118.05 3k32 s LYS 58 Ca -0.02 0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.60 3k32 s LYS 58 Cb -0.07 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 3k32 s LYS 58 CO 0.01 -0.04 0.01 0.14 -0.36 0.00 0.00 175.35 175.11 3k32 s VAL 59 N -0.24 4.31 -0.22 4.02 -7.23 -1.26 -2.09 120.40 117.70 3k32 s VAL 59 Ca -0.03 -0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 59.86 3k32 s VAL 59 Cb -0.02 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 3k32 s VAL 59 CO 0.00 0.51 0.04 -0.63 -0.31 0.00 0.00 175.10 174.71 3k32 s ILE 60 N 0.06 4.20 -0.20 -0.62 1.01 -0.82 -4.95 121.20 119.88 3k32 s ILE 60 Ca 0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 3k32 s ILE 60 Cb -0.13 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3k32 s ILE 60 CO 0.02 0.39 0.46 -0.89 0.00 0.00 0.00 174.94 174.92 3k32 s THR 61 N 1.25 5.15 0.35 2.92 2.01 -1.26 -0.11 115.64 125.96 3k32 s THR 61 Ca 0.04 0.84 0.09 0.00 0.31 0.00 0.00 61.69 62.97 3k32 s THR 61 Cb -0.15 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 3k32 s THR 61 CO 0.02 0.21 0.06 -0.76 -0.69 0.00 0.00 174.62 173.47 3k32 s LEU 62 N 1.46 3.07 0.22 4.42 1.02 0.17 -4.94 118.68 124.10 3k32 s LEU 62 Ca 0.22 -0.94 -0.31 0.00 0.02 0.00 0.00 54.13 53.11 3k32 s LEU 62 Cb -0.15 -1.46 -0.11 0.00 0.02 0.00 0.00 46.19 44.48 3k32 s LEU 62 CO 0.09 -0.28 1.67 -0.62 0.02 0.00 0.00 176.35 177.22 3k32 s ASP 63 N -3.77 6.41 0.30 2.29 -1.08 -1.26 -4.38 116.67 115.19 3k32 s ASP 63 Ca 0.36 2.84 0.22 0.00 -0.52 0.00 0.00 52.55 55.45 3k32 s ASP 63 Cb -0.00 -2.61 1.10 0.00 -1.46 0.00 0.00 42.92 39.95 3k32 s ASP 63 CO 0.21 -0.93 1.66 -1.14 0.52 0.00 0.00 175.17 175.49 3k32 n ARG 64 N 3.56 0.15 0.23 4.34 0.63 -1.25 -2.12 116.66 122.21 3k32 n ARG 64 Ca 0.14 0.58 0.11 0.00 -0.92 0.00 0.00 57.85 57.75 3k32 n ARG 64 Cb 0.36 -1.93 0.54 0.00 0.45 0.00 0.00 32.46 31.89 3k32 n ARG 64 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 3k32 h LYS 65 N 0.00 0.00 -0.39 -0.14 2.10 -1.90 -1.51 116.57 114.73 3k32 h LYS 65 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3k32 h LYS 65 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 3k32 h LYS 65 CO 0.00 0.20 0.20 0.82 -2.00 0.00 0.00 179.45 178.67 3k32 h ILE 66 N 0.00 1.16 0.01 0.07 2.04 -1.81 -1.78 117.51 117.19 3k32 h ILE 66 Ca -0.00 -0.43 -0.20 0.00 1.00 0.00 0.00 64.86 65.23 3k32 h ILE 66 Cb 0.62 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3k32 h ILE 66 CO 0.03 0.17 -0.92 -0.37 0.00 0.00 0.00 178.15 177.05 3k32 h VAL 67 N 0.50 1.61 -0.84 1.67 -1.51 -1.68 -2.57 116.25 113.43 3k32 h VAL 67 Ca 0.14 -3.01 0.11 0.00 -1.23 0.00 0.00 66.70 62.70 3k32 h VAL 67 Cb 0.08 2.65 -0.08 0.00 -2.13 0.00 0.00 31.29 31.82 3k32 h VAL 67 CO -0.02 0.86 0.47 -0.33 -1.23 0.00 0.00 177.57 177.33 3k32 h GLU 68 N 0.02 0.75 -0.11 5.19 4.39 -1.08 0.23 114.58 123.96 3k32 h GLU 68 Ca -0.02 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.44 3k32 h GLU 68 Cb 1.61 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 3k32 h GLU 68 CO 0.13 0.49 -0.72 -0.22 -1.16 0.00 0.00 179.01 177.53 3k32 h LYS 69 N 0.77 0.52 -0.78 2.33 3.64 -1.27 -1.70 116.57 120.07 3k32 h LYS 69 Ca 0.42 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k32 h LYS 69 Cb 0.42 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 3k32 h LYS 69 CO -0.27 1.04 0.50 0.00 -2.27 0.00 0.00 179.45 178.45 3k32 h ALA 70 N 0.84 1.40 -0.13 5.00 0.00 -0.88 -1.85 119.26 123.64 3k32 h ALA 70 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k32 h ALA 70 Cb 1.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3k32 h ALA 70 CO 0.13 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.99 3k32 h ALA 71 N 1.48 0.17 0.00 0.00 0.00 -0.29 0.31 119.26 120.93 3k32 h ALA 71 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k32 h ALA 71 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3k32 h ALA 71 CO -0.06 -0.29 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 3k32 n ASP 72 N -4.95 0.00 0.00 0.00 8.00 -0.67 -1.18 116.55 117.75 3k32 n ASP 72 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3k32 n ASP 72 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3k32 n ASP 72 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3k32 n ILE 74 N 0.45 0.00 0.23 0.53 2.08 0.10 -2.98 119.36 119.76 3k32 n ILE 74 Ca 0.00 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.48 3k32 n ILE 74 Cb 0.00 0.00 0.77 0.00 -0.75 0.00 0.00 39.64 39.66 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 0.16 0.00 1.39 1.08 -1.41 0.60 117.51 119.34 3k32 h ILE 75 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3k32 h ILE 75 Cb 0.00 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3k32 h ILE 75 CO 0.00 0.00 -1.28 -1.84 -0.69 0.00 0.00 178.15 174.34 3k32 n GLU 76 N -3.24 2.08 0.06 2.37 0.28 -1.16 -4.51 120.64 116.52 3k32 n GLU 76 Ca 0.02 -0.02 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3k32 n GLU 76 Cb 0.50 -1.12 -0.06 0.00 1.43 0.00 0.00 31.44 32.19 3k32 n GLU 76 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3k32 h HIS 77 N 0.00 0.00 0.00 -1.84 3.86 -1.80 -3.47 115.15 111.90 3k32 h HIS 77 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3k32 h HIS 77 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3k32 h HIS 77 CO 0.00 0.62 0.00 1.63 0.86 0.00 0.00 177.93 181.04 3k32 n LYS 78 N -3.02 0.00 -3.77 2.45 4.76 0.21 -4.88 118.16 113.90 3k32 n LYS 78 Ca -0.06 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.05 3k32 n LYS 78 Cb 0.83 -0.87 -0.05 0.00 -1.84 0.00 0.00 35.03 33.10 3k32 n LYS 78 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3k32 s TYR 79 N 0.00 3.52 -0.59 2.13 -0.85 -1.26 -4.68 117.35 115.63 3k32 s TYR 79 Ca 0.00 0.47 0.26 0.00 -0.52 0.00 0.00 57.07 57.28 3k32 s TYR 79 Cb 0.00 -1.93 0.85 0.00 0.38 0.00 0.00 41.96 41.26 3k32 s TYR 79 CO 0.00 0.54 1.75 -1.00 -1.52 0.00 0.00 175.55 175.33 3k32 h PRO 80 N 3.30 0.00 -0.47 -3.49 0.13 -1.89 -3.40 132.00 126.18 3k32 h PRO 80 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 3k32 h PRO 80 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3k32 h PRO 80 CO 0.71 0.00 -0.29 0.78 -0.23 0.00 0.00 178.00 178.98 3k32 h GLY 81 N 3.70 -1.79 0.51 1.56 0.00 -1.98 0.88 103.07 105.95 3k32 h GLY 81 Ca 0.00 0.98 0.12 0.00 0.00 0.00 0.00 47.33 48.42 3k32 h GLY 81 CO 0.00 -0.50 0.62 -2.55 0.00 0.00 0.00 176.54 174.11 3k32 h PRO 82 N -0.02 0.94 -0.44 4.80 0.11 -2.00 0.37 132.00 135.76 3k32 h PRO 82 Ca 0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3k32 h PRO 82 Cb 0.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3k32 h PRO 82 CO -0.45 0.62 0.09 0.00 -0.21 0.00 0.00 178.00 178.06 3k32 h ALA 83 N 1.54 0.58 -0.28 -0.75 0.00 -1.46 -1.36 119.26 117.54 3k32 h ALA 83 Ca 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3k32 h ALA 83 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k32 h ALA 83 CO -0.25 0.28 0.05 0.82 0.00 0.00 0.00 179.25 180.15 3k32 h ILE 84 N 0.58 1.23 -0.18 0.00 1.08 0.15 -2.08 117.51 118.29 3k32 h ILE 84 Ca 0.14 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 63.88 3k32 h ILE 84 Cb 0.35 1.20 -0.07 0.00 -3.07 0.00 0.00 36.82 35.23 3k32 h ILE 84 CO 0.00 0.25 -0.38 1.56 -0.69 0.00 0.00 178.15 178.89 3k32 h GLN 85 N 0.28 -0.41 -0.60 2.37 1.08 -0.86 -1.26 115.11 115.71 3k32 h GLN 85 Ca 0.08 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 3k32 h GLN 85 Cb 0.33 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.79 3k32 h GLN 85 CO 0.00 -0.27 0.27 -0.92 -0.95 0.00 0.00 178.83 176.96 3k32 h TYR 86 N -0.43 0.48 0.31 2.96 3.20 -1.05 -0.55 116.97 121.90 3k32 h TYR 86 Ca 0.10 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3k32 h TYR 86 Cb 0.59 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3k32 h TYR 86 CO -0.48 0.18 -0.15 0.28 -1.64 0.00 0.00 178.16 176.36 3k32 h VAL 87 N 0.49 0.72 -0.59 1.81 2.07 -1.06 -2.03 116.25 117.65 3k32 h VAL 87 Ca 0.28 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3k32 h VAL 87 Cb 0.28 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3k32 h VAL 87 CO -0.24 0.09 0.36 -0.74 0.02 0.00 0.00 177.57 177.06 3k32 h HIS 88 N -0.65 0.68 -0.94 1.57 -0.00 -0.92 0.36 115.15 115.24 3k32 h HIS 88 Ca -0.04 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.43 3k32 h HIS 88 Cb 0.46 -0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 27.58 3k32 h HIS 88 CO 0.00 0.39 0.59 0.87 -0.00 0.00 0.00 177.93 179.78 3k32 h LYS 89 N 0.72 1.00 -0.21 5.26 1.57 -1.15 0.38 116.57 124.14 3k32 h LYS 89 Ca 0.24 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 3k32 h LYS 89 Cb 0.02 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3k32 h LYS 89 CO -0.10 0.66 -0.48 1.15 -0.57 0.00 0.00 179.45 180.11 3k32 h THR 90 N 1.03 1.31 -0.22 -0.16 2.02 -0.28 -2.07 112.91 114.55 3k32 h THR 90 Ca 0.42 -1.70 0.04 0.00 0.77 0.00 0.00 66.41 65.94 3k32 h THR 90 Cb 0.26 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3k32 h THR 90 CO -0.20 0.53 -0.02 0.58 0.37 0.00 0.00 175.52 176.78 3k32 h VAL 91 N 0.40 0.82 -0.56 3.16 2.07 -0.08 -2.54 116.25 119.52 3k32 h VAL 91 Ca -0.00 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3k32 h VAL 91 Cb 1.09 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3k32 h VAL 91 CO 0.11 0.01 0.26 -0.07 0.02 0.00 0.00 177.57 177.89 3k32 h LEU 92 N 0.04 0.33 -0.47 2.57 3.38 -0.70 0.01 115.31 120.47 3k32 h LEU 92 Ca 0.10 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3k32 h LEU 92 Cb 0.14 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3k32 h LEU 92 CO -0.19 0.22 0.22 -0.33 0.09 0.00 0.00 178.44 178.45 3k32 h GLU 93 N 0.48 0.43 -0.02 1.13 4.39 -1.25 0.19 114.58 119.93 3k32 h GLU 93 Ca 0.26 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 3k32 h GLU 93 Cb 0.22 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3k32 h GLU 93 CO -0.21 0.28 0.00 0.82 -1.16 0.00 0.00 179.01 178.75 3k32 h ILE 94 N 0.44 1.20 0.00 3.13 2.04 -1.09 -3.12 117.51 120.12 3k32 h ILE 94 Ca 0.21 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 3k32 h ILE 94 Cb 0.14 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3k32 h ILE 94 CO -0.16 0.16 -0.32 -0.07 0.00 0.00 0.00 178.15 177.76 3k32 h LEU 95 N -0.21 0.00 -0.19 1.44 -0.00 -0.78 -2.59 115.31 112.98 3k32 h LEU 95 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3k32 h LEU 95 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 3k32 h LEU 95 CO 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 178.44 178.76 3k32 n ALA 96 N -2.43 1.47 0.22 1.53 0.00 0.65 -1.44 120.51 120.51 3k32 n ALA 96 Ca -0.02 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3k32 n ALA 96 Cb 0.37 -1.21 0.12 0.00 0.00 0.00 0.00 19.45 18.73 3k32 n ALA 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k32 h ASP 97 N 0.00 0.00 0.00 0.00 3.32 -1.52 -3.39 116.42 114.83 3k32 h ASP 97 Ca 0.00 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 3k32 h ASP 97 Cb 0.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3k32 h ASP 97 CO 0.00 0.01 -1.82 -0.62 -1.72 0.00 0.00 179.24 175.09 3k32 n GLU 98 N -2.83 1.90 -4.39 3.56 1.02 -0.52 -4.99 120.64 114.39 3k32 n GLU 98 Ca 0.02 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 3k32 n GLU 98 Cb 0.53 -1.30 -0.17 0.00 -0.02 0.00 0.00 31.44 30.48 3k32 n GLU 98 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k32 s TYR 99 N -2.29 1.48 -0.92 -0.32 2.02 -0.70 -5.02 117.35 111.61 3k32 s TYR 99 Ca -0.07 -0.61 0.27 0.00 -0.37 0.00 0.00 57.07 56.29 3k32 s TYR 99 Cb 0.04 -1.13 0.93 0.00 -0.40 0.00 0.00 41.96 41.40 3k32 s TYR 99 CO 0.47 -0.35 1.74 -1.13 -1.57 0.00 0.00 175.55 174.71 3k32 n SER 100 N 4.14 0.32 -3.86 2.29 3.41 -1.26 -4.49 113.62 114.17 3k32 n SER 100 Ca -0.20 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.43 3k32 n SER 100 Cb 0.51 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 3k32 n SER 100 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k32 s ILE 101 N -3.03 1.44 -0.12 -1.33 1.01 -1.26 -0.28 121.20 117.62 3k32 s ILE 101 Ca 0.12 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.05 3k32 s ILE 101 Cb 0.17 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3k32 s ILE 101 CO 0.60 -0.58 -0.05 -0.76 0.00 0.00 0.00 174.94 174.14 3k32 s LEU 102 N 1.34 3.21 0.12 2.97 1.02 0.27 -0.79 118.68 126.83 3k32 s LEU 102 Ca 0.08 -0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.21 3k32 s LEU 102 Cb -0.18 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 3k32 s LEU 102 CO -0.17 0.25 -0.14 0.00 0.02 0.00 0.00 176.35 176.31 3k32 s ALA 103 N -0.11 1.52 0.00 4.21 0.00 0.10 -0.89 121.76 126.60 3k32 s ALA 103 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.67 3k32 s ALA 103 Cb -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3k32 s ALA 103 CO 0.03 0.11 0.00 -0.40 0.00 0.00 0.00 175.76 175.50 3k32 n ASP 104 N 0.52 0.00 -0.91 0.00 5.68 -1.16 -0.98 116.55 119.70 3k32 n ASP 104 Ca -0.15 -0.93 0.08 0.00 -0.50 0.00 0.00 54.79 53.28 3k32 n ASP 104 Cb 0.57 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.81 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 4.09 3.76 6.12 0.00 -1.26 -4.42 105.19 113.47 3k32 n GLY 105 Ca 0.00 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.55 2.71 -4.08 2.61 -1.04 -1.26 -4.72 114.28 107.95 3k32 n THR 106 Ca 0.22 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.65 3k32 n THR 106 Cb 0.91 -1.83 -0.10 0.00 -1.82 0.00 0.00 70.33 67.49 3k32 n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k32 s ARG 107 N -2.40 0.72 0.25 -2.82 1.70 -1.26 -3.91 118.95 111.23 3k32 s ARG 107 Ca 0.61 -1.25 -0.03 0.00 -0.47 0.00 0.00 55.73 54.59 3k32 s ARG 107 Cb -0.46 0.23 0.50 0.00 -0.57 0.00 0.00 34.95 34.66 3k32 s ARG 107 CO 0.58 -0.17 1.70 -0.09 -1.08 0.00 0.00 175.30 176.24 3k32 h ARG 108 N 3.03 0.32 -0.50 3.89 2.43 -1.55 -2.95 114.38 119.05 3k32 h ARG 108 Ca -0.34 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3k32 h ARG 108 Cb 1.16 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3k32 h ARG 108 CO 0.63 0.21 0.00 -0.25 -1.51 0.00 0.00 179.97 179.05 3k32 n ASP 109 N -5.11 3.39 -4.42 -3.80 8.00 -1.26 -4.76 116.55 108.59 3k32 n ASP 109 Ca 0.15 -1.98 -0.39 0.00 0.71 0.00 0.00 54.79 53.29 3k32 n ASP 109 Cb 0.48 -0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.28 5.53 0.47 -2.24 1.11 -1.12 -4.96 116.67 114.18 3k32 s ASP 110 Ca 0.41 -0.61 0.18 0.00 0.18 0.00 0.00 52.55 52.71 3k32 s ASP 110 Cb 0.23 -1.99 1.13 0.00 1.07 0.00 0.00 42.92 43.36 3k32 s ASP 110 CO 0.31 -0.22 2.02 0.03 1.18 0.00 0.00 175.17 178.48 3k32 h ARG 111 N 8.35 0.00 -3.05 8.23 2.47 -1.86 -3.44 114.38 125.08 3k32 h ARG 111 Ca -0.31 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.20 3k32 h ARG 111 Cb 1.14 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.16 3k32 h ARG 111 CO 0.62 0.17 -0.50 0.08 0.56 0.00 0.00 179.97 180.89 3k32 s VAL 112 N -4.51 -0.05 0.39 2.04 1.01 -1.26 -3.86 120.40 114.15 3k32 s VAL 112 Ca -0.04 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3k32 s VAL 112 Cb 0.15 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 3k32 s VAL 112 CO 0.66 0.07 0.73 -2.16 0.00 0.00 0.00 175.10 174.40 3k32 s PRO 113 N 1.29 3.73 -0.29 2.72 0.04 -1.26 -5.04 135.00 136.20 3k32 s PRO 113 Ca -0.09 0.36 -0.16 0.00 0.04 0.00 0.00 61.00 61.15 3k32 s PRO 113 Cb -0.11 -2.44 0.12 0.00 0.04 0.00 0.00 34.50 32.11 3k32 s PRO 113 CO -0.08 0.01 0.83 0.21 0.04 0.00 0.00 177.00 178.01 3k32 s LYS 114 N -3.84 0.54 0.12 4.56 2.20 -1.25 -4.73 119.74 117.34 3k32 s LYS 114 Ca 0.49 0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 56.78 3k32 s LYS 114 Cb -0.10 0.14 -0.07 0.00 -1.51 0.00 0.00 37.83 36.29 3k32 s LYS 114 CO 0.32 -0.12 0.86 -0.51 -0.36 0.00 0.00 175.35 175.54 3k32 s LEU 115 N 1.55 4.53 0.89 5.43 1.43 -1.26 -5.07 118.68 126.18 3k32 s LEU 115 Ca -0.09 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 3k32 s LEU 115 Cb -0.05 -3.42 0.12 0.00 0.03 0.00 0.00 46.19 42.87 3k32 s LEU 115 CO -0.17 0.05 1.10 -0.94 0.23 0.00 0.00 176.35 176.62 3k32 s SER 116 N -0.44 3.61 0.20 2.29 1.04 -1.26 -4.81 113.70 114.34 3k32 s SER 116 Ca 0.41 1.32 -0.09 0.00 0.48 0.00 0.00 55.95 58.07 3k32 s SER 116 Cb -0.23 -1.99 0.14 0.00 0.10 0.00 0.00 66.02 64.04 3k32 s SER 116 CO 0.27 -2.53 1.79 0.22 0.98 0.00 0.00 173.24 173.98 3k32 h TYR 117 N -1.47 1.10 -0.36 5.02 5.03 -1.98 0.94 116.97 125.24 3k32 h TYR 117 Ca -0.50 -0.06 -0.10 0.00 2.58 0.00 0.00 58.73 60.65 3k32 h TYR 117 Cb 1.29 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 3k32 h TYR 117 CO 0.40 0.81 -0.20 0.66 -1.32 0.00 0.00 178.16 178.51 3k32 h SER 118 N 1.07 0.69 -0.55 -2.11 4.64 -1.99 0.39 113.55 115.68 3k32 h SER 118 Ca 0.26 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 3k32 h SER 118 Cb 0.13 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3k32 h SER 118 CO -0.03 0.88 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.48 3k32 h GLU 119 N 0.61 1.00 -0.36 4.77 5.08 -1.76 -2.37 114.58 121.54 3k32 h GLU 119 Ca 0.09 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3k32 h GLU 119 Cb 0.67 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k32 h GLU 119 CO 0.05 0.99 0.15 0.82 -1.00 0.00 0.00 179.01 180.01 3k32 h ILE 120 N 0.92 1.19 -0.56 3.13 2.04 -0.28 -1.06 117.51 122.89 3k32 h ILE 120 Ca 0.17 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3k32 h ILE 120 Cb 0.54 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3k32 h ILE 120 CO 0.03 0.20 0.09 1.56 0.00 0.00 0.00 178.15 180.03 3k32 h GLN 121 N 0.44 0.89 0.13 2.37 1.08 -0.81 -1.02 115.11 118.19 3k32 h GLN 121 Ca 0.12 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 3k32 h GLN 121 Cb 0.18 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3k32 h GLN 121 CO -0.01 0.83 -0.06 1.03 -0.95 0.00 0.00 178.83 179.67 3k32 h SER 122 N 0.85 -0.15 -0.59 1.46 0.87 -1.31 -3.08 113.55 111.59 3k32 h SER 122 Ca 0.18 -0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 3k32 h SER 122 Cb 0.38 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 3k32 h SER 122 CO 0.01 0.04 0.25 0.25 -0.53 0.00 0.00 176.83 176.85 3k32 h LEU 123 N -0.33 0.29 -1.22 2.23 7.12 -0.81 0.31 115.31 122.91 3k32 h LEU 123 Ca -0.02 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.05 3k32 h LEU 123 Cb 0.26 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 3k32 h LEU 123 CO 0.03 0.18 0.00 -0.62 -0.13 0.00 0.00 178.44 177.90 3k32 n GLU 124 N -4.95 0.50 0.00 1.25 1.02 -0.42 -2.19 120.64 115.85 3k32 n GLU 124 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3k32 n GLU 124 Cb 0.24 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.10 -1.21 116.66 121.14 3k32 n ARG 126 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 3k32 n ARG 126 Cb 0.15 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.61 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 1.57 -3.61 5.56 4.76 -0.93 -4.99 118.16 120.53 3k32 n LYS 127 Ca 0.00 -1.01 -0.27 0.00 -2.87 0.00 0.00 58.31 54.15 3k32 n LYS 127 Cb 0.00 -1.27 0.05 0.00 -1.84 0.00 0.00 35.03 31.96 3k32 n LYS 127 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3k32 n ASN 128 N 0.21 -5.05 -4.12 4.39 5.15 -0.35 -4.95 115.26 110.55 3k32 n ASN 128 Ca 0.07 -0.94 -0.10 0.00 -0.60 0.00 0.00 54.58 53.02 3k32 n ASN 128 Cb 0.35 -3.80 -0.10 0.00 -0.53 0.00 0.00 39.78 35.70 3k32 n ASN 128 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3k32 s ILE 129 N -3.48 0.52 -0.20 -1.44 1.01 -0.66 -4.91 121.20 112.03 3k32 s ILE 129 Ca 0.41 -1.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 3k32 s ILE 129 Cb -0.13 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3k32 s ILE 129 CO 0.83 -0.79 0.06 -1.10 0.00 0.00 0.00 174.94 173.95 3k32 s GLN 130 N -3.29 3.87 -0.19 2.79 -0.21 0.61 -4.50 119.66 118.74 3k32 s GLN 130 Ca 0.05 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.01 3k32 s GLN 130 Cb 0.02 -3.24 -0.01 0.00 1.00 0.00 0.00 33.01 30.77 3k32 s GLN 130 CO -0.05 0.13 -0.06 -0.47 -2.12 0.00 0.00 175.29 172.73 3k32 s TYR 131 N 0.75 2.94 -0.12 0.91 5.04 -1.26 -0.56 117.35 125.05 3k32 s TYR 131 Ca 0.03 -0.78 0.02 0.00 -2.44 0.00 0.00 57.07 53.90 3k32 s TYR 131 Cb -0.13 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 40.16 3k32 s TYR 131 CO 0.02 -0.40 -0.17 0.42 -1.34 0.00 0.00 175.55 174.08 3k32 s ILE 132 N 1.09 1.65 -0.60 3.14 1.01 -0.06 -5.00 121.20 122.43 3k32 s ILE 132 Ca 0.01 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3k32 s ILE 132 Cb -0.15 -1.50 0.16 0.00 0.01 0.00 0.00 42.46 40.98 3k32 s ILE 132 CO -0.01 0.47 0.39 0.42 0.00 0.00 0.00 174.94 176.22 3k32 s THR 133 N 0.97 2.41 0.38 2.92 -4.23 -1.26 -3.00 115.64 113.83 3k32 s THR 133 Ca -0.06 -3.69 0.14 0.00 -1.18 0.00 0.00 61.69 56.90 3k32 s THR 133 Cb -0.15 -2.62 0.36 0.00 1.34 0.00 0.00 72.50 71.43 3k32 s THR 133 CO -0.02 -0.96 1.83 -0.65 -0.54 0.00 0.00 174.62 174.27 3k32 h PRO 134 N 5.85 0.50 -4.13 3.99 0.11 -1.85 -3.40 132.00 133.07 3k32 h PRO 134 Ca 0.08 -0.03 -0.73 0.00 0.11 0.00 0.00 66.00 65.43 3k32 h PRO 134 Cb 0.82 -0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.70 3k32 h PRO 134 CO 0.65 0.33 2.21 1.28 -0.21 0.00 0.00 178.00 182.26 3k32 n LEU 135 N -4.59 6.25 0.00 2.35 4.77 -1.25 -4.70 117.00 119.83 3k32 n LEU 135 Ca 0.21 -4.40 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 3k32 n LEU 135 Cb 0.68 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3k32 n LEU 135 CO 0.28 1.05 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 3k32 n GLY 137 N 3.66 0.00 3.32 -0.72 0.00 -1.26 -3.15 105.19 107.04 3k32 n GLY 137 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 2.73 0.46 1.61 0.40 -1.26 -4.99 117.98 116.93 3k32 s PHE 138 Ca 0.00 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.54 3k32 s PHE 138 Cb 0.00 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 3k32 s PHE 138 CO 0.00 -0.29 0.68 0.20 0.70 0.00 0.00 175.22 176.52 3k32 s GLY 139 N 0.37 1.56 0.05 4.36 0.00 -1.26 -3.35 107.32 109.05 3k32 s GLY 139 Ca -0.13 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 3k32 s GLY 139 CO 0.07 -0.85 0.71 2.98 0.00 0.00 0.00 173.10 176.00 3k32 n TYR 140 N -2.11 -0.14 -0.23 1.90 4.19 -1.26 -0.93 117.16 118.59 3k32 n TYR 140 Ca 0.01 0.39 -0.06 0.00 3.31 0.00 0.00 57.90 61.56 3k32 n TYR 140 Cb 0.58 -0.43 0.04 0.00 0.49 0.00 0.00 39.34 40.02 3k32 n TYR 140 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 3k32 h LYS 141 N 0.00 0.89 -0.71 2.98 6.56 -1.99 -0.12 116.57 124.18 3k32 h LYS 141 Ca 0.05 -0.09 0.01 0.00 -1.06 0.00 0.00 60.65 59.56 3k32 h LYS 141 Cb 0.13 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.57 3k32 h LYS 141 CO -0.30 0.65 0.46 1.15 -2.06 0.00 0.00 179.45 179.36 3k32 h THR 142 N 0.89 1.18 -0.68 -0.16 2.02 -1.41 -1.73 112.91 113.02 3k32 h THR 142 Ca 0.23 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 3k32 h THR 142 Cb -0.00 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 3k32 h THR 142 CO -0.04 0.18 0.15 -0.07 0.37 0.00 0.00 175.52 176.11 3k32 h LEU 143 N 0.96 1.03 -0.61 2.58 4.07 -0.73 -0.99 115.31 121.64 3k32 h LEU 143 Ca 0.26 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3k32 h LEU 143 Cb -0.10 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.34 3k32 h LEU 143 CO -0.06 1.00 0.37 -0.09 -1.08 0.00 0.00 178.44 178.59 3k32 h ARG 144 N 1.03 0.82 -0.51 1.13 2.43 -0.56 -0.60 114.38 118.12 3k32 h ARG 144 Ca 0.21 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3k32 h ARG 144 Cb 0.38 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3k32 h ARG 144 CO 0.00 0.58 0.06 1.25 -1.51 0.00 0.00 179.97 180.35 3k32 h HIS 145 N 0.82 0.92 -0.42 2.20 2.76 -1.05 -2.77 115.15 117.61 3k32 h HIS 145 Ca 0.22 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3k32 h HIS 145 Cb -0.04 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 3k32 h HIS 145 CO -0.02 0.84 0.02 -0.07 -1.30 0.00 0.00 177.93 177.40 3k32 h LEU 146 N 0.73 0.71 -0.45 0.26 3.38 -0.90 -2.31 115.31 116.73 3k32 h LEU 146 Ca 0.15 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3k32 h LEU 146 Cb 0.43 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3k32 h LEU 146 CO 0.01 0.83 0.13 0.00 0.09 0.00 0.00 178.44 179.51 3k32 h ALA 147 N 0.91 0.52 0.00 1.53 0.00 -1.08 -1.26 119.26 119.88 3k32 h ALA 147 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3k32 h ALA 147 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k32 h ALA 147 CO 0.02 -0.27 0.00 0.66 0.00 0.00 0.00 179.25 179.66 3k32 h SER 148 N 0.28 0.00 0.69 0.00 4.64 -1.38 0.85 113.55 118.63 3k32 h SER 148 Ca 0.22 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.27 3k32 h SER 148 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3k32 h SER 148 CO -0.25 0.00 -1.26 -0.33 -0.87 0.00 0.00 176.83 174.12 3k32 h GLU 149 N 0.00 0.18 0.05 4.77 5.08 -0.75 -3.38 114.58 120.53 3k32 h GLU 149 Ca 0.00 -0.31 -0.33 0.00 -1.00 0.00 0.00 59.36 57.72 3k32 h GLU 149 Cb 0.60 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3k32 h GLU 149 CO 0.00 1.10 -1.92 1.19 -1.00 0.00 0.00 179.01 178.38 3k32 n PHE 150 N -3.44 0.98 -4.55 4.33 3.72 -0.56 -4.63 117.46 113.30 3k32 n PHE 150 Ca -0.08 0.28 -0.30 0.00 -0.05 0.00 0.00 57.45 57.30 3k32 n PHE 150 Cb 1.01 -1.15 -0.13 0.00 -0.94 0.00 0.00 39.48 38.26 3k32 n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k32 s PHE 151 N -2.57 2.43 0.00 1.38 0.08 0.27 0.11 117.98 119.69 3k32 s PHE 151 Ca -0.14 -0.33 -0.28 0.00 0.12 0.00 0.00 56.93 56.30 3k32 s PHE 151 Cb 0.07 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 3k32 s PHE 151 CO 0.79 0.28 0.88 0.42 -0.10 0.00 0.00 175.22 177.49 3k32 s ILE 152 N -0.99 4.84 0.18 0.64 -1.09 0.12 -4.60 121.20 120.29 3k32 s ILE 152 Ca 0.15 1.85 0.09 0.00 -2.23 0.00 0.00 60.65 60.51 3k32 s ILE 152 Cb -0.10 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 3k32 s ILE 152 CO 0.06 0.23 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.06 3k32 s LEU 153 N 0.68 2.46 -0.07 2.97 1.43 -1.26 -0.52 118.68 124.37 3k32 s LEU 153 Ca 0.46 -0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 3k32 s LEU 153 Cb -0.20 -0.86 0.05 0.00 0.03 0.00 0.00 46.19 45.21 3k32 s LEU 153 CO 0.25 -0.03 0.52 -0.70 0.23 0.00 0.00 176.35 176.63 3k32 s GLU 154 N -2.90 0.84 0.06 1.70 2.12 -0.58 -4.89 118.70 115.04 3k32 s GLU 154 Ca 0.17 0.20 -0.22 0.00 0.36 0.00 0.00 54.97 55.48 3k32 s GLU 154 Cb -0.05 0.39 -0.06 0.00 0.26 0.00 0.00 34.13 34.67 3k32 s GLU 154 CO 0.07 -0.23 0.66 -1.83 -0.54 0.00 0.00 175.26 173.39 3k32 s GLU 155 N -0.95 4.37 -0.24 4.30 4.04 -1.26 0.19 118.70 129.15 3k32 s GLU 155 Ca -0.10 0.89 -0.10 0.00 0.04 0.00 0.00 54.97 55.70 3k32 s GLU 155 Cb -0.03 -3.31 -0.05 0.00 0.02 0.00 0.00 34.13 30.77 3k32 s GLU 155 CO 0.06 0.45 0.14 0.42 -1.84 0.00 0.00 175.26 174.50 3k32 s ILE 156 N -0.56 5.12 -1.17 1.83 1.01 0.32 -4.87 121.20 122.88 3k32 s ILE 156 Ca 0.33 0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.88 3k32 s ILE 156 Cb -0.20 -3.39 0.06 0.00 0.01 0.00 0.00 42.46 38.94 3k32 s ILE 156 CO 0.21 0.34 1.60 -0.75 0.00 0.00 0.00 174.94 176.33 3k32 s LYS 157 N 1.22 3.81 0.00 2.79 2.47 -1.26 -2.97 119.74 125.79 3k32 s LYS 157 Ca 0.07 -1.60 0.00 0.00 -1.56 0.00 0.00 55.97 52.87 3k32 s LYS 157 Cb -0.14 -5.45 0.00 0.00 -1.46 0.00 0.00 37.83 30.78 3k32 s LYS 157 CO 0.05 -2.23 0.00 0.43 0.16 0.00 0.00 175.35 173.76 3k32 n SER 158 N 8.59 0.00 -3.18 1.43 7.64 -1.26 -3.86 113.62 122.98 3k32 n SER 158 Ca 0.41 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.10 3k32 n SER 158 Cb 0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 3k32 n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k32 n GLY 159 N 0.00 3.38 0.87 0.23 0.00 -1.26 -4.93 105.19 103.48 3k32 n GLY 159 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3k32 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k32 n THR 160 N 0.51 0.00 -2.85 2.61 -2.24 -1.25 -5.06 114.28 106.00 3k32 n THR 160 Ca 0.24 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.68 3k32 n THR 160 Cb 0.64 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 3k32 n THR 160 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3k32 s LYS 161 N -0.81 4.30 -0.23 -0.78 2.36 -1.26 -5.04 119.74 118.28 3k32 s LYS 161 Ca 0.00 1.12 -0.14 0.00 -2.55 0.00 0.00 55.97 54.40 3k32 s LYS 161 Cb 0.00 -2.38 -0.04 0.00 -1.05 0.00 0.00 37.83 34.36 3k32 s LYS 161 CO 0.00 0.08 0.34 -0.51 1.55 0.00 0.00 175.35 176.80 3k32 s LEU 162 N -2.85 4.12 0.85 5.43 2.01 -1.26 -5.00 118.68 121.97 3k32 s LEU 162 Ca 0.58 0.36 -0.10 0.00 0.01 0.00 0.00 54.13 54.98 3k32 s LEU 162 Cb -0.12 -2.39 0.10 0.00 0.01 0.00 0.00 46.19 43.79 3k32 s LEU 162 CO 0.16 -0.07 1.11 -0.55 1.01 0.00 0.00 176.35 178.01 3k32 s SER 163 N 1.20 3.72 -0.15 2.29 0.15 -1.26 -4.50 113.70 115.14 3k32 s SER 163 Ca 0.15 1.93 0.16 0.00 0.70 0.00 0.00 55.95 58.89 3k32 s SER 163 Cb -0.15 -2.51 0.61 0.00 -1.71 0.00 0.00 66.02 62.26 3k32 s SER 163 CO 0.08 -2.55 1.52 -1.20 1.20 0.00 0.00 173.24 172.28 3k32 n SER 164 N -3.86 4.35 -4.68 5.45 7.64 -1.23 -4.64 113.62 116.65 3k32 n SER 164 Ca 0.10 -2.70 -0.23 0.00 1.01 0.00 0.00 58.87 57.04 3k32 n SER 164 Cb 0.53 -0.53 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.30 4.30 0.47 6.43 1.47 -1.26 -4.64 116.67 122.14 3k32 s ASP 165 Ca 0.44 -0.53 0.20 0.00 1.18 0.00 0.00 52.55 53.84 3k32 s ASP 165 Cb 0.32 0.21 1.19 0.00 -0.34 0.00 0.00 42.92 44.30 3k32 s ASP 165 CO 0.15 -1.91 1.94 1.88 0.68 0.00 0.00 175.17 177.92 3k32 h TYR 166 N -0.51 0.30 -0.06 2.11 0.05 -1.93 -3.24 116.97 113.69 3k32 h TYR 166 Ca -0.34 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.45 3k32 h TYR 166 Cb 1.26 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 3k32 h TYR 166 CO -0.20 0.11 -0.04 -1.91 -1.05 0.00 0.00 178.16 175.08 3k32 n GLU 167 N -4.44 -0.03 -0.22 4.88 2.13 -1.26 -1.42 120.64 120.28 3k32 n GLU 167 Ca 0.13 0.85 -0.00 0.00 0.66 0.00 0.00 57.16 58.79 3k32 n GLU 167 Cb 0.58 -1.27 0.07 0.00 0.27 0.00 0.00 31.44 31.09 3k32 n GLU 167 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3k32 h ALA 168 N -0.72 0.41 -0.15 4.31 0.00 -1.82 0.90 119.26 122.19 3k32 h ALA 168 Ca 0.01 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3k32 h ALA 168 Cb 0.03 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3k32 h ALA 168 CO -0.06 -0.44 -0.22 0.93 0.00 0.00 0.00 179.25 179.46 3k32 h GLU 169 N -0.01 0.26 -0.03 0.00 5.08 -1.67 0.85 114.58 119.06 3k32 h GLU 169 Ca 0.31 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3k32 h GLU 169 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3k32 h GLU 169 CO -0.69 0.48 -0.07 0.82 -1.00 0.00 0.00 179.01 178.55 3k32 h ILE 170 N 0.24 1.46 -0.76 3.13 2.04 0.72 -2.97 117.51 121.37 3k32 h ILE 170 Ca 0.04 -1.45 0.17 0.00 1.00 0.00 0.00 64.86 64.62 3k32 h ILE 170 Cb 0.54 2.36 -0.11 0.00 -0.74 0.00 0.00 36.82 38.86 3k32 h ILE 170 CO 0.04 0.39 0.22 -0.09 0.00 0.00 0.00 178.15 178.70 3k32 h ARG 171 N -0.46 0.29 -0.28 2.37 2.43 0.10 -1.92 114.38 116.91 3k32 h ARG 171 Ca -0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3k32 h ARG 171 Cb 0.67 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3k32 h ARG 171 CO 0.02 0.19 0.15 1.25 -1.51 0.00 0.00 179.97 180.07 3k32 h HIS 172 N 0.30 0.39 -1.00 2.20 2.76 -0.81 -1.62 115.15 117.38 3k32 h HIS 172 Ca 0.43 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.65 3k32 h HIS 172 Cb 0.75 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.52 3k32 h HIS 172 CO -0.24 0.34 0.65 0.82 -1.30 0.00 0.00 177.93 178.20 3k32 h ILE 173 N 0.34 1.11 -0.60 6.26 2.04 -1.21 -1.57 117.51 123.87 3k32 h ILE 173 Ca 0.10 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3k32 h ILE 173 Cb 0.08 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 35.94 3k32 h ILE 173 CO -0.01 0.22 0.30 -0.07 0.00 0.00 0.00 178.15 178.59 3k32 h LEU 174 N 1.20 0.77 0.48 1.44 3.38 -0.68 -1.07 115.31 120.83 3k32 h LEU 174 Ca 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3k32 h LEU 174 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3k32 h LEU 174 CO -0.16 0.66 -0.37 0.11 0.09 0.00 0.00 178.44 178.77 3k32 h LYS 175 N 0.81 -0.80 -1.32 1.13 1.57 -0.69 -1.26 116.57 116.02 3k32 h LYS 175 Ca 0.21 0.05 0.43 0.00 -1.87 0.00 0.00 60.65 59.47 3k32 h LYS 175 Cb 0.09 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.45 3k32 h LYS 175 CO -0.03 -0.53 0.85 0.93 -0.57 0.00 0.00 179.45 180.10 3k32 h GLU 176 N -0.83 0.09 0.00 3.15 5.08 -1.03 0.43 114.58 121.47 3k32 h GLU 176 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3k32 h GLU 176 Cb 0.69 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3k32 h GLU 176 CO 0.01 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 3k32 n ARG 177 N -4.69 0.24 -0.59 2.33 1.74 -0.43 -4.84 116.66 110.41 3k32 n ARG 177 Ca 0.37 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3k32 n ARG 177 Cb 1.42 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 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 0.69 0.87 4.00 -0.13 0.00 0.15 -5.09 105.19 105.68 3k32 n GLY 178 Ca 0.04 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.34 1.67 -0.24 1.61 0.41 -0.54 -5.04 118.70 115.22 3k32 s GLU 179 Ca 0.00 -1.19 0.02 0.00 -0.41 0.00 0.00 54.97 53.39 3k32 s GLU 179 Cb 0.00 -2.35 0.05 0.00 -1.78 0.00 0.00 34.13 30.05 3k32 s GLU 179 CO 0.00 -1.45 -0.13 -1.12 -0.49 0.00 0.00 175.26 172.07 3k32 s SER 180 N -4.75 4.04 0.15 -0.19 0.01 -1.26 -4.57 113.70 107.13 3k32 s SER 180 Ca 0.67 -1.17 0.03 0.00 1.31 0.00 0.00 55.95 56.79 3k32 s SER 180 Cb -0.05 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 3k32 s SER 180 CO 0.44 -0.14 1.35 -0.65 0.41 0.00 0.00 173.24 174.66 3k32 h PRO 181 N 7.83 0.16 -0.07 12.44 0.11 -1.91 -2.66 132.00 147.89 3k32 h PRO 181 Ca -0.27 -0.19 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3k32 h PRO 181 Cb 1.07 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3k32 h PRO 181 CO 0.51 0.97 0.12 1.49 -0.21 0.00 0.00 178.00 180.88 3k32 h GLU 182 N 0.08 0.00 -0.36 1.05 4.57 -1.88 0.81 114.58 118.85 3k32 h GLU 182 Ca -0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.01 3k32 h GLU 182 Cb 1.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 3k32 h GLU 182 CO 0.14 0.00 -0.26 0.87 -1.18 0.00 0.00 179.01 178.58 3k32 h LYS 183 N 0.00 0.81 0.00 1.92 1.57 -1.86 -3.17 116.57 115.84 3k32 h LYS 183 Ca 0.04 -0.39 -0.37 0.00 -1.87 0.00 0.00 60.65 58.05 3k32 h LYS 183 Cb 0.28 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3k32 h LYS 183 CO -0.00 1.02 -2.41 0.66 -0.57 0.00 0.00 179.45 178.15 3k32 n TYR 184 N -4.21 0.00 -2.89 -1.35 4.02 -0.58 -4.72 117.16 107.42 3k32 n TYR 184 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 3k32 n TYR 184 Cb 0.46 -0.97 -0.03 0.00 -0.02 0.00 0.00 39.34 38.79 3k32 n TYR 184 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3k32 n PHE 185 N -3.11 3.78 0.00 -0.72 3.01 0.27 -4.85 117.46 115.85 3k32 n PHE 185 Ca -0.41 -3.70 0.00 0.00 1.01 0.00 0.00 57.45 54.34 3k32 n PHE 185 Cb 1.02 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 3k32 n PHE 185 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3k32 n PRO 186 N -0.17 0.00 0.00 -1.08 -0.02 -1.20 -4.56 135.00 127.97 3k32 n PRO 186 Ca 0.34 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3k32 n PRO 186 Cb 0.36 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3k32 n PRO 186 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3k32 n LYS 189 N -1.24 0.00 -4.96 -0.52 4.76 -1.26 -4.82 118.16 110.11 3k32 n LYS 189 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3k32 n LYS 189 Cb 0.00 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.03 3k32 n LYS 189 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3k32 s GLN 190 N 3.41 1.99 -0.13 1.97 -0.21 -1.16 -4.98 119.66 120.54 3k32 s GLN 190 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.70 3k32 s GLN 190 Cb 0.00 -1.72 -0.00 0.00 1.00 0.00 0.00 33.01 32.29 3k32 s GLN 190 CO 0.00 0.29 -0.18 0.99 -2.12 0.00 0.00 175.29 174.27 3k32 s THR 191 N -0.04 2.46 -0.18 -0.19 2.01 -1.26 0.12 115.64 118.55 3k32 s THR 191 Ca -0.03 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 3k32 s THR 191 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3k32 s THR 191 CO 0.02 0.53 0.34 -0.60 -0.69 0.00 0.00 174.62 174.23 3k32 s ARG 192 N 0.62 4.22 -0.38 4.92 3.52 0.50 -4.51 118.95 127.84 3k32 s ARG 192 Ca -0.10 0.14 -0.28 0.00 -0.13 0.00 0.00 55.73 55.36 3k32 s ARG 192 Cb -0.16 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3k32 s ARG 192 CO 0.03 0.10 1.62 0.08 -0.81 0.00 0.00 175.30 176.32 3k32 s VAL 193 N 0.87 3.67 -0.13 7.11 1.01 -1.26 -1.53 120.40 130.14 3k32 s VAL 193 Ca 0.18 0.67 0.17 0.00 0.00 0.00 0.00 61.98 63.00 3k32 s VAL 193 Cb -0.14 -3.92 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 3k32 s VAL 193 CO 0.06 -0.60 0.44 0.55 0.00 0.00 0.00 175.10 175.56 3k32 n VAL 194 N 7.25 1.15 -3.82 2.92 3.14 0.32 -4.92 118.33 124.38 3k32 n VAL 194 Ca 0.20 -0.75 -0.04 0.00 -2.96 0.00 0.00 64.34 60.79 3k32 n VAL 194 Cb 0.47 -0.56 0.02 0.00 -1.06 0.00 0.00 33.84 32.71 3k32 n VAL 194 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k32 n GLY 195 N 1.54 0.77 3.71 7.55 0.00 -1.14 -4.95 105.19 112.68 3k32 n GLY 195 Ca -0.19 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 3k32 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k32 s LEU 196 N 0.00 3.86 0.02 0.99 1.43 -1.26 0.11 118.68 123.83 3k32 s LEU 196 Ca 0.19 0.20 0.27 0.00 -1.03 0.00 0.00 54.13 53.76 3k32 s LEU 196 Cb -0.03 -1.93 0.86 0.00 0.03 0.00 0.00 46.19 45.12 3k32 s LEU 196 CO 0.06 0.32 1.68 0.29 0.23 0.00 0.00 176.35 178.93 3k32 n LYS 197 N 2.58 0.03 -3.56 1.70 5.02 0.30 -4.74 118.16 119.49 3k32 n LYS 197 Ca -0.18 0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.06 3k32 n LYS 197 Cb 0.53 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3k32 n LYS 197 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3k32 s LYS 198 N -3.02 0.82 0.50 1.97 -2.85 -1.26 -5.05 119.74 110.85 3k32 s LYS 198 Ca 0.12 -0.34 -0.24 0.00 -1.00 0.00 0.00 55.97 54.51 3k32 s LYS 198 Cb 0.18 0.35 -0.07 0.00 -2.06 0.00 0.00 37.83 36.23 3k32 s LYS 198 CO 0.61 -0.36 1.39 0.39 0.10 0.00 0.00 175.35 177.48 3k32 n GLU 199 N -0.28 1.97 0.00 1.78 1.02 -1.26 -5.05 120.64 118.82 3k32 n GLU 199 Ca -0.07 0.71 0.12 0.00 -0.02 0.00 0.00 57.16 57.90 3k32 n GLU 199 Cb 0.61 -2.60 0.70 0.00 -0.02 0.00 0.00 31.44 30.14 3k32 n GLU 199 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42