#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 0.58 -0.04 -1.43 1.01 -1.26 -4.74 116.67 110.79 3k32 s ASP 5 Ca 0.00 -0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.19 3k32 s ASP 5 Cb 0.00 -0.13 0.02 0.00 1.01 0.00 0.00 42.92 43.82 3k32 s ASP 5 CO 0.00 0.02 -0.07 0.54 0.21 0.00 0.00 175.17 175.88 3k32 s VAL 6 N 0.16 0.67 -0.36 -1.27 0.11 -0.96 -4.58 120.40 114.17 3k32 s VAL 6 Ca -0.01 -0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 58.65 3k32 s VAL 6 Cb -0.05 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3k32 s VAL 6 CO -0.00 0.24 0.37 -1.00 -3.33 0.00 0.00 175.10 171.38 3k32 s HIS 7 N 0.67 3.20 -0.29 1.54 3.76 0.22 -0.34 115.29 124.05 3k32 s HIS 7 Ca -0.10 -0.12 -0.06 0.00 -0.15 0.00 0.00 55.06 54.62 3k32 s HIS 7 Cb -0.13 -2.71 0.01 0.00 1.11 0.00 0.00 32.58 30.85 3k32 s HIS 7 CO 0.01 -0.50 0.07 0.08 -0.85 0.00 0.00 174.74 173.55 3k32 s VAL 8 N 2.03 3.91 0.03 -0.90 1.01 -0.68 -0.63 120.40 125.16 3k32 s VAL 8 Ca 0.11 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 3k32 s VAL 8 Cb -0.17 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 3k32 s VAL 8 CO 0.12 0.12 1.93 0.18 0.00 0.00 0.00 175.10 177.45 3k32 n LEU 9 N 4.86 3.99 -3.91 3.92 7.99 0.94 -1.25 117.00 133.54 3k32 n LEU 9 Ca -0.15 0.93 -0.19 0.00 -0.01 0.00 0.00 56.01 56.60 3k32 n LEU 9 Cb 0.48 -1.50 -0.16 0.00 -0.11 0.00 0.00 43.42 42.14 3k32 n LEU 9 CO 0.31 0.14 -0.41 0.12 -1.51 0.00 0.00 177.39 176.04 3k32 s PHE 10 N 4.07 0.64 -0.05 -1.77 5.36 -0.30 -4.12 117.98 121.80 3k32 s PHE 10 Ca 0.89 -0.15 0.09 0.00 -0.96 0.00 0.00 56.93 56.80 3k32 s PHE 10 Cb -0.50 -0.55 -0.14 0.00 -0.34 0.00 0.00 43.02 41.50 3k32 s PHE 10 CO 0.43 -0.13 0.13 -1.13 -1.46 0.00 0.00 175.22 173.06 3k32 n SER 11 N 3.72 2.68 0.00 6.13 3.41 -1.26 -4.45 113.62 123.84 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 0.53 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 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 2.18 0.72 3.84 5.00 0.00 -1.26 -3.90 105.19 111.76 3k32 n GLY 12 Ca -0.09 0.00 -0.30 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 -1.64 1.64 0.00 -0.02 0.00 -1.26 -4.48 107.32 101.56 3k32 s GLY 13 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3k32 s GLY 13 CO 0.00 0.17 0.14 0.28 0.00 0.00 0.00 173.10 173.69 3k32 n LYS 14 N -3.16 0.00 0.09 2.90 5.02 -1.26 -0.32 118.16 121.43 3k32 n LYS 14 Ca 0.07 0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 3k32 n LYS 14 Cb 0.56 -0.22 -0.09 0.00 -0.02 0.00 0.00 35.03 35.26 3k32 n LYS 14 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k32 h ASP 15 N 0.00 0.37 -0.46 4.39 3.32 -1.96 -1.39 116.42 120.69 3k32 h ASP 15 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 56.76 3k32 h ASP 15 Cb 0.00 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3k32 h ASP 15 CO 0.00 1.22 0.15 -1.28 -1.72 0.00 0.00 179.24 177.61 3k32 h SER 16 N 0.10 0.13 -0.56 6.45 0.87 -1.76 -0.52 113.55 118.26 3k32 h SER 16 Ca -0.09 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 3k32 h SER 16 Cb 1.78 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.77 3k32 h SER 16 CO 0.17 0.10 0.23 0.28 -0.53 0.00 0.00 176.83 177.09 3k32 h SER 17 N 0.31 0.80 -0.74 6.23 0.02 -0.35 -2.55 113.55 117.27 3k32 h SER 17 Ca 0.22 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3k32 h SER 17 Cb 0.23 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3k32 h SER 17 CO -0.24 0.73 0.47 -0.07 -1.14 0.00 0.00 176.83 176.58 3k32 h LEU 18 N 0.86 0.78 -1.02 5.07 3.38 -0.26 -1.41 115.31 122.71 3k32 h LEU 18 Ca 0.20 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3k32 h LEU 18 Cb 0.19 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3k32 h LEU 18 CO -0.02 0.55 0.65 -1.28 0.09 0.00 0.00 178.44 178.44 3k32 h SER 19 N 0.93 1.08 -0.07 -0.43 0.87 -0.72 -0.29 113.55 114.92 3k32 h SER 19 Ca 0.29 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.67 3k32 h SER 19 Cb -0.01 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3k32 h SER 19 CO -0.10 0.73 -0.55 0.00 -0.53 0.00 0.00 176.83 176.39 3k32 h ALA 20 N 1.42 0.62 -0.33 6.23 0.00 -1.22 -2.76 119.26 123.22 3k32 h ALA 20 Ca 0.40 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3k32 h ALA 20 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k32 h ALA 20 CO -0.13 0.69 -0.30 0.28 0.00 0.00 0.00 179.25 179.79 3k32 h VAL 21 N 0.50 1.29 -0.58 0.00 2.07 -0.78 -2.49 116.25 116.26 3k32 h VAL 21 Ca 0.01 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.13 3k32 h VAL 21 Cb 1.12 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3k32 h VAL 21 CO 0.11 0.48 0.29 0.40 0.02 0.00 0.00 177.57 178.87 3k32 h ILE 22 N 0.57 0.93 -0.69 4.57 2.04 -1.06 -2.35 117.51 121.52 3k32 h ILE 22 Ca 0.06 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3k32 h ILE 22 Cb 0.87 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3k32 h ILE 22 CO 0.08 0.10 0.31 -0.07 0.00 0.00 0.00 178.15 178.57 3k32 h LEU 23 N 0.55 0.91 -0.17 1.44 4.07 -1.34 -2.27 115.31 118.51 3k32 h LEU 23 Ca 0.26 -0.15 0.05 0.00 0.08 0.00 0.00 57.88 58.13 3k32 h LEU 23 Cb 0.19 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 41.63 3k32 h LEU 23 CO -0.19 0.81 -0.30 0.50 -1.08 0.00 0.00 178.44 178.18 3k32 h LYS 24 N 0.96 -0.34 -0.11 1.13 1.63 -1.24 0.09 116.57 118.68 3k32 h LYS 24 Ca 0.23 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3k32 h LYS 24 Cb 0.15 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 3k32 h LYS 24 CO -0.03 -0.23 -0.02 0.87 -3.45 0.00 0.00 179.45 176.59 3k32 h LYS 25 N -0.35 0.16 -0.05 1.90 1.79 -0.93 0.24 116.57 119.33 3k32 h LYS 25 Ca 0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3k32 h LYS 25 Cb 0.52 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3k32 h LYS 25 CO -0.37 0.20 0.00 1.28 -1.08 0.00 0.00 179.45 179.48 3k32 n LEU 26 N -4.41 0.37 0.00 2.94 4.77 -0.90 -4.89 117.00 114.89 3k32 n LEU 26 Ca -0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3k32 n LEU 26 Cb 0.16 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3k32 n LEU 26 CO 0.36 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3k32 n GLY 27 N 0.81 0.80 3.87 -0.72 0.00 0.84 -5.08 105.19 105.70 3k32 n GLY 27 Ca 0.12 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 3.56 -0.45 1.61 2.02 0.00 -4.62 117.35 117.47 3k32 s TYR 28 Ca 0.00 1.28 -0.13 0.00 -0.37 0.00 0.00 57.07 57.85 3k32 s TYR 28 Cb 0.00 -2.68 0.08 0.00 -0.40 0.00 0.00 41.96 38.96 3k32 s TYR 28 CO 0.00 -0.50 0.34 1.21 -1.57 0.00 0.00 175.55 175.03 3k32 s ASN 29 N -3.75 5.95 -0.25 2.29 2.47 -1.26 -4.16 114.94 116.23 3k32 s ASN 29 Ca 0.55 -1.40 -0.26 0.00 0.42 0.00 0.00 52.86 52.17 3k32 s ASN 29 Cb -0.11 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 3k32 s ASN 29 CO 0.44 -0.61 0.92 -2.84 -3.72 0.00 0.00 177.10 171.30 3k32 s PRO 30 N 1.56 4.18 -0.50 0.43 0.02 -1.26 -2.26 135.00 137.16 3k32 s PRO 30 Ca 0.04 1.07 -0.16 0.00 0.02 0.00 0.00 61.00 61.97 3k32 s PRO 30 Cb -0.24 -3.66 0.09 0.00 0.02 0.00 0.00 34.50 30.72 3k32 s PRO 30 CO 0.05 -0.60 0.45 -1.01 -0.33 0.00 0.00 177.00 175.56 3k32 s HIS 31 N 3.04 3.23 0.14 6.54 3.76 0.54 -4.20 115.29 128.34 3k32 s HIS 31 Ca 0.39 -1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 53.95 3k32 s HIS 31 Cb -0.15 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 3k32 s HIS 31 CO 0.08 -0.90 1.25 -0.51 -0.85 0.00 0.00 174.74 173.81 3k32 s LEU 32 N 1.69 4.41 -0.01 0.89 1.02 0.58 -1.68 118.68 125.58 3k32 s LEU 32 Ca 0.04 2.22 0.03 0.00 0.02 0.00 0.00 54.13 56.44 3k32 s LEU 32 Cb -0.26 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.35 3k32 s LEU 32 CO 0.06 -0.48 -0.10 0.27 0.02 0.00 0.00 176.35 176.12 3k32 s ILE 33 N 0.49 0.78 -0.03 -0.59 -4.36 -0.38 -0.28 121.20 116.83 3k32 s ILE 33 Ca 0.57 -0.41 0.05 0.00 -0.26 0.00 0.00 60.65 60.60 3k32 s ILE 33 Cb -0.33 -0.66 -0.01 0.00 1.25 0.00 0.00 42.46 42.71 3k32 s ILE 33 CO 0.34 0.22 -0.17 -0.89 0.24 0.00 0.00 174.94 174.68 3k32 s THR 34 N -0.16 1.35 -0.04 8.37 2.01 -0.19 -1.15 115.64 125.83 3k32 s THR 34 Ca 0.03 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 3k32 s THR 34 Cb -0.05 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3k32 s THR 34 CO -0.00 0.38 0.51 -0.63 -0.69 0.00 0.00 174.62 174.19 3k32 s ILE 35 N -0.20 5.02 -0.03 1.82 1.01 -1.26 -1.50 121.20 126.06 3k32 s ILE 35 Ca 0.02 1.04 0.03 0.00 0.00 0.00 0.00 60.65 61.74 3k32 s ILE 35 Cb -0.09 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 3k32 s ILE 35 CO 0.00 0.43 -0.12 0.21 0.00 0.00 0.00 174.94 175.47 3k32 s ASN 36 N -0.17 1.52 -0.38 3.58 3.84 -0.60 -4.87 114.94 117.87 3k32 s ASN 36 Ca 0.27 -0.24 0.07 0.00 0.21 0.00 0.00 52.86 53.17 3k32 s ASN 36 Cb -0.17 -0.37 0.68 0.00 -0.55 0.00 0.00 41.25 40.85 3k32 s ASN 36 CO 0.14 0.11 1.82 0.49 -2.79 0.00 0.00 177.10 176.86 3k32 n PHE 37 N 3.16 2.58 -2.41 0.43 3.01 -1.26 0.06 117.46 123.02 3k32 n PHE 37 Ca -0.17 -1.53 -0.17 0.00 1.01 0.00 0.00 57.45 56.58 3k32 n PHE 37 Cb 0.54 -0.78 -0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 -0.72 -0.32 0.31 1.37 0.00 -1.26 -3.79 105.19 100.77 3k32 n GLY 38 Ca 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.06 0.61 -4.14 1.61 0.31 -1.26 -5.04 118.33 106.36 3k32 n VAL 39 Ca -0.18 0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 3k32 n VAL 39 Cb 0.64 -1.69 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 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 -1.70 0.82 -1.13 2.52 -4.36 -1.26 -5.08 121.20 111.00 3k32 s ILE 40 Ca -0.09 -1.13 -0.19 0.00 -0.26 0.00 0.00 60.65 58.98 3k32 s ILE 40 Cb 0.01 -0.82 -0.05 0.00 1.25 0.00 0.00 42.46 42.85 3k32 s ILE 40 CO 0.13 -0.26 1.98 -0.81 0.24 0.00 0.00 174.94 176.23 3k32 n PRO 41 N 1.50 2.19 0.00 0.37 -0.04 -1.26 -4.71 135.00 133.05 3k32 n PRO 41 Ca -0.21 -2.42 0.14 0.00 -0.04 0.00 0.00 63.50 60.97 3k32 n PRO 41 Cb 0.55 -3.27 0.81 0.00 -0.04 0.00 0.00 33.50 31.55 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 8.48 0.00 -0.01 3.54 3.41 -1.26 -3.87 113.62 123.90 3k32 n SER 42 Ca 0.49 -1.09 0.16 0.00 -0.26 0.00 0.00 58.87 58.17 3k32 n SER 42 Cb 0.42 0.00 0.88 0.00 -0.26 0.00 0.00 64.21 65.25 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 -0.94 0.00 0.23 7.33 0.18 -1.26 -3.42 117.16 119.29 3k32 n TYR 43 Ca 0.21 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.83 3k32 n TYR 43 Cb 0.09 -0.09 -0.08 0.00 -0.38 0.00 0.00 39.34 38.89 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 0.05 -0.69 -0.63 -3.48 1.57 -1.98 -1.52 116.57 109.90 3k32 h LYS 44 Ca 0.00 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 3k32 h LYS 44 Cb 0.10 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.44 3k32 h LYS 44 CO 0.00 -0.46 -0.17 1.25 -0.57 0.00 0.00 179.45 179.50 3k32 h LEU 45 N -0.71 -0.64 -0.52 2.94 7.12 -1.92 -0.29 115.31 121.29 3k32 h LEU 45 Ca -0.03 0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 3k32 h LEU 45 Cb 0.63 0.41 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 3k32 h LEU 45 CO -0.03 -0.22 0.28 0.00 -0.13 0.00 0.00 178.44 178.35 3k32 h ALA 46 N 1.58 0.66 -0.01 1.25 0.00 -1.62 -1.57 119.26 119.56 3k32 h ALA 46 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3k32 h ALA 46 Cb 0.48 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3k32 h ALA 46 CO -0.66 0.19 -0.19 1.49 0.00 0.00 0.00 179.25 180.08 3k32 h GLU 47 N 0.69 -0.29 0.26 0.00 4.81 -0.20 -0.45 114.58 119.39 3k32 h GLU 47 Ca 0.18 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3k32 h GLU 47 Cb 0.05 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3k32 h GLU 47 CO -0.03 -0.20 -0.42 0.93 -0.73 0.00 0.00 179.01 178.56 3k32 h GLU 48 N -0.30 -0.70 -0.14 1.92 5.08 -0.83 -1.94 114.58 117.67 3k32 h GLU 48 Ca 0.06 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3k32 h GLU 48 Cb 0.38 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3k32 h GLU 48 CO -0.18 -0.46 0.12 0.00 -1.00 0.00 0.00 179.01 177.48 3k32 h THR 49 N -0.72 0.78 -0.67 1.13 1.03 -1.14 0.25 112.91 113.56 3k32 h THR 49 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.32 3k32 h THR 49 Cb 0.67 0.92 -0.03 0.00 -1.07 0.00 0.00 68.15 68.64 3k32 h THR 49 CO -0.14 0.00 0.22 0.00 -0.01 0.00 0.00 175.52 175.58 3k32 h ALA 50 N 1.90 0.88 -0.52 0.00 0.00 -0.70 0.47 119.26 121.28 3k32 h ALA 50 Ca 0.07 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3k32 h ALA 50 Cb 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3k32 h ALA 50 CO -0.00 0.55 0.26 -0.22 0.00 0.00 0.00 179.25 179.84 3k32 h LYS 51 N 0.97 0.50 0.12 0.00 3.64 0.24 -0.65 116.57 121.39 3k32 h LYS 51 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3k32 h LYS 51 Cb 0.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3k32 h LYS 51 CO -0.01 0.33 -0.06 0.82 -2.27 0.00 0.00 179.45 178.26 3k32 h ILE 52 N 0.51 0.93 0.00 2.00 2.04 -0.89 -2.45 117.51 119.66 3k32 h ILE 52 Ca 0.23 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3k32 h ILE 52 Cb 0.15 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3k32 h ILE 52 CO -0.16 0.05 0.15 -0.07 0.00 0.00 0.00 178.15 178.12 3k32 h LEU 53 N -0.26 0.00 0.00 1.44 4.07 0.18 -3.46 115.31 117.28 3k32 h LEU 53 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3k32 h LEU 53 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3k32 h LEU 53 CO 0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 3k32 n GLY 54 N -1.15 0.44 3.47 0.83 0.00 -0.43 -5.00 105.19 103.35 3k32 n GLY 54 Ca -0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 2.55 0.07 1.61 0.08 -0.38 -5.03 117.98 114.88 3k32 s PHE 55 Ca 0.00 -0.26 -0.31 0.00 0.12 0.00 0.00 56.93 56.49 3k32 s PHE 55 Cb 0.00 -1.43 -0.08 0.00 -0.57 0.00 0.00 43.02 40.94 3k32 s PHE 55 CO 0.00 0.29 1.56 0.15 -0.10 0.00 0.00 175.22 177.12 3k32 s LYS 56 N -1.66 4.23 0.04 0.44 1.02 -1.26 -4.41 119.74 118.15 3k32 s LYS 56 Ca 0.16 2.23 0.07 0.00 0.02 0.00 0.00 55.97 58.45 3k32 s LYS 56 Cb -0.11 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 3k32 s LYS 56 CO 0.07 -0.65 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.05 3k32 s HIS 57 N 2.27 1.85 0.01 3.18 5.65 -1.26 -0.30 115.29 126.68 3k32 s HIS 57 Ca 0.70 -0.37 0.01 0.00 0.25 0.00 0.00 55.06 55.65 3k32 s HIS 57 Cb -0.38 -1.11 -0.01 0.00 -1.18 0.00 0.00 32.58 29.90 3k32 s HIS 57 CO 0.31 0.08 -0.04 0.21 -0.65 0.00 0.00 174.74 174.65 3k32 s LYS 58 N -1.12 0.30 -0.24 2.88 2.47 0.61 -4.96 119.74 119.67 3k32 s LYS 58 Ca 0.08 -0.40 -0.06 0.00 -1.56 0.00 0.00 55.97 54.03 3k32 s LYS 58 Cb -0.09 -0.12 -0.02 0.00 -1.46 0.00 0.00 37.83 36.14 3k32 s LYS 58 CO 0.02 0.02 0.04 0.54 0.16 0.00 0.00 175.35 176.13 3k32 s VAL 59 N -0.78 4.05 -0.20 4.02 0.11 -1.26 -1.02 120.40 125.32 3k32 s VAL 59 Ca -0.07 -0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 58.61 3k32 s VAL 59 Cb -0.06 -2.90 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 3k32 s VAL 59 CO -0.00 0.34 0.11 -0.51 -3.33 0.00 0.00 175.10 171.71 3k32 s ILE 60 N 1.57 5.16 -0.09 7.04 2.07 -0.56 -4.94 121.20 131.44 3k32 s ILE 60 Ca 0.06 0.10 -0.19 0.00 -1.41 0.00 0.00 60.65 59.22 3k32 s ILE 60 Cb -0.15 -3.35 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 3k32 s ILE 60 CO 0.02 0.43 0.50 -0.89 -1.91 0.00 0.00 174.94 173.09 3k32 s THR 61 N 0.51 5.14 0.46 4.00 2.01 -1.25 -1.56 115.64 124.93 3k32 s THR 61 Ca 0.06 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.13 3k32 s THR 61 Cb -0.12 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3k32 s THR 61 CO -0.00 0.35 0.12 -0.76 -0.69 0.00 0.00 174.62 173.63 3k32 s LEU 62 N 0.44 2.77 -0.14 4.42 1.02 0.11 -4.94 118.68 122.36 3k32 s LEU 62 Ca 0.27 -1.34 -0.29 0.00 0.02 0.00 0.00 54.13 52.79 3k32 s LEU 62 Cb -0.16 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.94 3k32 s LEU 62 CO 0.12 -0.68 1.65 -0.62 0.02 0.00 0.00 176.35 176.84 3k32 s ASP 63 N -3.90 6.49 0.54 2.29 -1.08 -1.26 -4.41 116.67 115.34 3k32 s ASP 63 Ca 0.29 1.93 0.39 0.00 -0.52 0.00 0.00 52.55 54.64 3k32 s ASP 63 Cb 0.04 -2.53 1.58 0.00 -1.46 0.00 0.00 42.92 40.55 3k32 s ASP 63 CO 0.16 -1.12 1.76 -0.09 0.52 0.00 0.00 175.17 176.39 3k32 h ARG 64 N 10.30 0.01 -0.61 4.34 2.43 -1.94 0.11 114.38 129.03 3k32 h ARG 64 Ca -0.36 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.98 3k32 h ARG 64 Cb 1.17 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3k32 h ARG 64 CO 0.98 0.01 0.45 -0.22 -1.51 0.00 0.00 179.97 179.68 3k32 h LYS 65 N 0.01 0.00 -0.44 0.20 1.63 -1.90 -0.26 116.57 115.80 3k32 h LYS 65 Ca 0.64 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.37 3k32 h LYS 65 Cb 2.56 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 34.17 3k32 h LYS 65 CO -0.02 0.00 0.00 0.82 -3.45 0.00 0.00 179.45 176.80 3k32 h ILE 66 N 0.00 1.26 0.00 2.00 2.04 -1.15 -1.53 117.51 120.13 3k32 h ILE 66 Ca 0.29 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3k32 h ILE 66 Cb 1.19 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3k32 h ILE 66 CO -0.00 0.36 -0.30 -0.37 0.00 0.00 0.00 178.15 177.84 3k32 h VAL 67 N 0.63 0.00 -0.21 1.67 -1.51 -1.30 -2.29 116.25 113.24 3k32 h VAL 67 Ca 0.13 -0.82 -0.07 0.00 -1.23 0.00 0.00 66.70 64.70 3k32 h VAL 67 Cb 0.49 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3k32 h VAL 67 CO 0.02 0.00 -0.16 -0.33 -1.23 0.00 0.00 177.57 175.88 3k32 h GLU 68 N 0.00 0.47 -0.35 5.19 4.39 -0.94 -0.29 114.58 123.05 3k32 h GLU 68 Ca 0.00 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 3k32 h GLU 68 Cb 0.91 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 3k32 h GLU 68 CO 0.00 0.79 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.36 3k32 h LYS 69 N 0.16 0.57 -0.04 2.33 3.64 -1.26 -2.00 116.57 119.97 3k32 h LYS 69 Ca 0.04 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3k32 h LYS 69 Cb 0.68 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3k32 h LYS 69 CO 0.04 0.64 0.02 0.00 -2.27 0.00 0.00 179.45 177.88 3k32 h ALA 70 N 1.40 0.05 -0.80 5.00 0.00 -1.20 -2.14 119.26 121.57 3k32 h ALA 70 Ca 0.10 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.14 3k32 h ALA 70 Cb 0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 3k32 h ALA 70 CO 0.02 -0.40 0.20 0.00 0.00 0.00 0.00 179.25 179.08 3k32 h ALA 71 N 0.90 1.08 0.00 0.00 0.00 -0.82 -0.61 119.26 119.81 3k32 h ALA 71 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k32 h ALA 71 Cb 0.11 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k32 h ALA 71 CO -0.00 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 3k32 n ASP 72 N -5.18 0.00 0.00 0.00 10.43 -0.77 -1.75 116.55 119.27 3k32 n ASP 72 Ca 0.17 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.53 3k32 n ASP 72 Cb 0.54 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.50 3k32 n ASP 72 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3k32 n ILE 74 N 0.54 0.00 0.11 0.53 2.08 -0.24 -0.19 119.36 122.18 3k32 n ILE 74 Ca 0.00 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.36 3k32 n ILE 74 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 39.64 39.37 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 1.09 -0.09 1.39 2.04 -1.61 0.43 117.51 120.75 3k32 h ILE 75 Ca 0.00 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.41 3k32 h ILE 75 Cb 0.00 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3k32 h ILE 75 CO 0.00 0.10 -0.76 -0.08 0.00 0.00 0.00 178.15 177.41 3k32 h GLU 76 N 0.31 0.52 0.00 2.37 4.57 -0.84 -3.39 114.58 118.13 3k32 h GLU 76 Ca 0.08 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3k32 h GLU 76 Cb 0.05 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3k32 h GLU 76 CO -0.01 1.06 -0.70 0.72 -1.18 0.00 0.00 179.01 178.90 3k32 n HIS 77 N -3.86 0.00 0.00 0.92 8.25 -0.93 -4.99 115.22 114.61 3k32 n HIS 77 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3k32 n HIS 77 Cb 0.73 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 -1.38 0.00 -2.28 -0.41 3.00 0.15 -4.87 118.16 112.36 3k32 n LYS 78 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3k32 n LYS 78 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.12 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 3.31 -0.89 5.64 5.04 -1.26 -4.78 117.35 124.40 3k32 s TYR 79 Ca 0.00 1.39 0.26 0.00 -2.44 0.00 0.00 57.07 56.28 3k32 s TYR 79 Cb 0.00 -3.52 0.69 0.00 0.35 0.00 0.00 41.96 39.47 3k32 s TYR 79 CO 0.00 -1.48 1.56 -2.30 -1.34 0.00 0.00 175.55 171.99 3k32 n PRO 80 N 1.97 0.09 -0.31 4.97 -0.02 -1.26 -4.39 135.00 136.06 3k32 n PRO 80 Ca 0.03 0.04 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 3k32 n PRO 80 Cb 0.43 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 3k32 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k32 n GLY 81 N 1.44 -2.57 0.24 -1.23 0.00 -1.26 -1.08 105.19 100.73 3k32 n GLY 81 Ca 0.05 0.99 0.02 0.00 0.00 0.00 0.00 46.02 47.09 3k32 n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k32 h PRO 82 N 0.00 0.29 -0.40 1.61 0.11 -1.99 0.44 132.00 132.06 3k32 h PRO 82 Ca 0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3k32 h PRO 82 Cb 0.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 3k32 h PRO 82 CO -0.69 0.19 0.11 0.00 -0.21 0.00 0.00 178.00 177.41 3k32 h ALA 83 N 1.50 0.52 -0.39 -0.75 0.00 -1.56 -0.47 119.26 118.10 3k32 h ALA 83 Ca 0.34 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3k32 h ALA 83 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3k32 h ALA 83 CO -0.41 0.18 -0.32 0.82 0.00 0.00 0.00 179.25 179.52 3k32 h ILE 84 N 0.50 1.27 -0.46 0.00 2.04 -0.30 -0.89 117.51 119.67 3k32 h ILE 84 Ca 0.13 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.51 3k32 h ILE 84 Cb 0.28 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3k32 h ILE 84 CO -0.00 0.50 0.30 1.56 0.00 0.00 0.00 178.15 180.51 3k32 h GLN 85 N 0.74 0.60 -0.33 2.37 1.08 0.06 -1.30 115.11 118.32 3k32 h GLN 85 Ca 0.08 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 3k32 h GLN 85 Cb 0.88 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.13 3k32 h GLN 85 CO 0.08 0.40 0.07 -0.92 -0.95 0.00 0.00 178.83 177.50 3k32 h TYR 86 N 0.62 0.11 -0.05 2.96 3.20 -0.71 -1.80 116.97 121.29 3k32 h TYR 86 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3k32 h TYR 86 Cb -0.06 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3k32 h TYR 86 CO -0.05 0.02 0.00 0.28 -1.64 0.00 0.00 178.16 176.77 3k32 h VAL 87 N 0.18 1.25 -0.28 1.81 2.07 -0.57 -1.92 116.25 118.80 3k32 h VAL 87 Ca 0.16 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.94 3k32 h VAL 87 Cb 0.17 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3k32 h VAL 87 CO -0.21 0.21 0.14 -0.74 0.02 0.00 0.00 177.57 176.99 3k32 h HIS 88 N -0.19 0.26 -0.07 1.57 -0.00 -1.19 0.13 115.15 115.65 3k32 h HIS 88 Ca 0.02 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 3k32 h HIS 88 Cb 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 3k32 h HIS 88 CO 0.03 0.15 0.01 0.87 -0.00 0.00 0.00 177.93 178.99 3k32 h LYS 89 N 0.29 0.04 -0.54 5.26 6.56 -1.30 -0.54 116.57 126.35 3k32 h LYS 89 Ca 0.11 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.73 3k32 h LYS 89 Cb 0.03 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 3k32 h LYS 89 CO -0.08 0.03 0.32 1.15 -2.06 0.00 0.00 179.45 178.81 3k32 h THR 90 N 0.04 1.04 -0.12 -0.16 2.02 -0.91 -0.08 112.91 114.74 3k32 h THR 90 Ca 0.03 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.02 3k32 h THR 90 Cb 0.03 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3k32 h THR 90 CO -0.04 0.11 -0.04 0.58 0.37 0.00 0.00 175.52 176.50 3k32 h VAL 91 N 0.63 0.86 -0.35 3.16 2.07 -0.37 -0.47 116.25 121.77 3k32 h VAL 91 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3k32 h VAL 91 Cb 0.04 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3k32 h VAL 91 CO -0.10 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.52 3k32 h LEU 92 N -0.01 0.09 -1.46 2.57 3.38 -0.70 -0.06 115.31 119.12 3k32 h LEU 92 Ca 0.06 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3k32 h LEU 92 Cb 0.11 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3k32 h LEU 92 CO -0.14 0.09 0.50 -0.33 0.09 0.00 0.00 178.44 178.65 3k32 h GLU 93 N 0.24 0.55 0.01 1.13 4.39 -0.63 0.48 114.58 120.76 3k32 h GLU 93 Ca 0.16 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 3k32 h GLU 93 Cb 0.15 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3k32 h GLU 93 CO -0.18 0.36 -0.01 0.82 -1.16 0.00 0.00 179.01 178.85 3k32 h ILE 94 N 0.56 1.44 -0.05 3.13 2.04 0.28 -3.24 117.51 121.67 3k32 h ILE 94 Ca 0.36 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 3k32 h ILE 94 Cb 0.64 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3k32 h ILE 94 CO -0.13 0.36 -0.24 -0.07 0.00 0.00 0.00 178.15 178.07 3k32 h LEU 95 N -0.63 0.09 -0.53 1.44 3.38 -0.66 -1.39 115.31 117.01 3k32 h LEU 95 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k32 h LEU 95 Cb 0.61 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3k32 h LEU 95 CO 0.00 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3k32 n ALA 96 N -2.49 1.52 1.05 1.53 0.00 0.12 0.26 120.51 122.50 3k32 n ALA 96 Ca -0.02 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3k32 n ALA 96 Cb 0.32 -1.30 0.38 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.96 0.40 -0.03 0.00 8.00 -0.52 -4.30 116.55 118.13 3k32 n ASP 97 Ca 0.02 -0.12 -0.05 0.00 0.71 0.00 0.00 54.79 55.35 3k32 n ASP 97 Cb 0.17 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.40 0.17 -4.64 -1.24 1.02 0.55 -5.08 120.64 110.02 3k32 n GLU 98 Ca 0.07 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 3k32 n GLU 98 Cb 0.33 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.13 2.71 -0.06 -0.32 2.02 0.14 -5.03 117.35 114.68 3k32 s TYR 99 Ca -0.09 -0.16 0.13 0.00 -0.37 0.00 0.00 57.07 56.58 3k32 s TYR 99 Cb 0.02 -1.55 -0.21 0.00 -0.40 0.00 0.00 41.96 39.82 3k32 s TYR 99 CO 0.15 0.28 0.69 0.43 -1.57 0.00 0.00 175.55 175.54 3k32 n SER 100 N 1.71 0.88 -3.99 2.29 7.64 -1.26 -4.45 113.62 116.44 3k32 n SER 100 Ca -0.16 0.41 -0.31 0.00 1.01 0.00 0.00 58.87 59.83 3k32 n SER 100 Cb 0.52 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.53 3k32 n SER 100 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3k32 s ILE 101 N -2.65 1.71 0.06 0.44 1.01 -1.26 0.25 121.20 120.75 3k32 s ILE 101 Ca -0.04 -1.19 0.09 0.00 0.00 0.00 0.00 60.65 59.51 3k32 s ILE 101 Cb 0.08 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3k32 s ILE 101 CO 0.82 0.05 -0.24 -0.76 0.00 0.00 0.00 174.94 174.82 3k32 s LEU 102 N 1.34 2.33 0.05 2.97 1.02 0.20 -0.61 118.68 125.97 3k32 s LEU 102 Ca -0.04 -0.57 -0.06 0.00 0.02 0.00 0.00 54.13 53.47 3k32 s LEU 102 Cb -0.18 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 3k32 s LEU 102 CO -0.07 0.24 0.12 0.00 0.02 0.00 0.00 176.35 176.66 3k32 s ALA 103 N -0.89 -0.09 0.18 4.21 0.00 0.20 -0.55 121.76 124.83 3k32 s ALA 103 Ca 0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 3k32 s ALA 103 Cb -0.10 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3k32 s ALA 103 CO 0.04 -0.36 0.24 -0.40 0.00 0.00 0.00 175.76 175.28 3k32 n ASP 104 N 0.55 -0.67 -2.07 0.00 5.68 -1.11 -0.04 116.55 118.89 3k32 n ASP 104 Ca -0.18 -2.03 -0.18 0.00 -0.50 0.00 0.00 54.79 51.90 3k32 n ASP 104 Cb 0.59 1.28 0.21 0.00 -1.14 0.00 0.00 41.12 42.06 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 -0.31 4.34 3.68 6.12 0.00 -1.26 -4.26 105.19 113.50 3k32 n GLY 105 Ca 0.01 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.91 0.42 -4.00 2.61 -1.04 -1.26 -4.81 114.28 105.29 3k32 n THR 106 Ca 0.53 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.05 62.19 3k32 n THR 106 Cb 1.55 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 68.04 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 3.05 3.19 0.24 -2.82 0.52 -1.26 -4.10 118.95 117.77 3k32 s ARG 107 Ca 0.86 -0.68 -0.13 0.00 -0.52 0.00 0.00 55.73 55.25 3k32 s ARG 107 Cb -0.57 -2.84 0.31 0.00 0.52 0.00 0.00 34.95 32.37 3k32 s ARG 107 CO 0.42 0.53 1.58 -0.09 0.02 0.00 0.00 175.30 177.76 3k32 h ARG 108 N 2.49 -0.03 0.00 3.54 2.43 -1.62 -0.41 114.38 120.78 3k32 h ARG 108 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3k32 h ARG 108 Cb 1.19 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3k32 h ARG 108 CO 0.67 -0.02 0.00 -0.25 -1.51 0.00 0.00 179.97 178.87 3k32 n ASP 109 N -5.52 0.07 -4.77 -3.80 8.00 -1.26 -4.82 116.55 104.45 3k32 n ASP 109 Ca 0.11 0.51 -0.39 0.00 0.71 0.00 0.00 54.79 55.73 3k32 n ASP 109 Cb 0.42 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.14 6.42 -0.20 -2.24 1.01 -0.17 -4.97 116.67 113.39 3k32 s ASP 110 Ca 0.11 2.52 0.04 0.00 0.71 0.00 0.00 52.55 55.93 3k32 s ASP 110 Cb 0.15 -2.63 -0.15 0.00 1.01 0.00 0.00 42.92 41.30 3k32 s ASP 110 CO 0.44 -0.76 -0.14 0.54 0.21 0.00 0.00 175.17 175.46 3k32 n ARG 111 N 0.14 0.69 -3.74 8.23 1.74 -1.26 -4.91 116.66 117.55 3k32 n ARG 111 Ca 0.04 0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 3k32 n ARG 111 Cb 0.45 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 3k32 n ARG 111 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3k32 s VAL 112 N -2.42 0.01 0.57 1.55 -7.23 -1.26 -4.15 120.40 107.47 3k32 s VAL 112 Ca -0.25 -0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 59.67 3k32 s VAL 112 Cb 0.07 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 3k32 s VAL 112 CO 0.53 -0.04 1.09 -2.84 -0.31 0.00 0.00 175.10 173.54 3k32 s PRO 113 N -0.07 3.30 -0.30 4.82 0.02 -1.26 -5.06 135.00 136.45 3k32 s PRO 113 Ca -0.02 1.43 -0.07 0.00 0.02 0.00 0.00 61.00 62.35 3k32 s PRO 113 Cb -0.03 -2.01 0.18 0.00 0.02 0.00 0.00 34.50 32.66 3k32 s PRO 113 CO 0.01 -0.86 0.86 0.21 -0.33 0.00 0.00 177.00 176.90 3k32 s LYS 114 N -3.63 0.34 0.59 5.54 2.20 -1.26 -4.86 119.74 118.66 3k32 s LYS 114 Ca 0.68 0.53 -0.19 0.00 -0.36 0.00 0.00 55.97 56.64 3k32 s LYS 114 Cb -0.20 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 3k32 s LYS 114 CO 0.31 -0.43 1.21 -0.51 -0.36 0.00 0.00 175.35 175.56 3k32 s LEU 115 N 2.91 3.66 0.82 5.43 1.43 -1.26 -5.04 118.68 126.63 3k32 s LEU 115 Ca 0.11 2.39 -0.07 0.00 -1.03 0.00 0.00 54.13 55.52 3k32 s LEU 115 Cb -0.10 -4.60 0.15 0.00 0.03 0.00 0.00 46.19 41.67 3k32 s LEU 115 CO -0.17 -1.60 1.13 -0.94 0.23 0.00 0.00 176.35 175.00 3k32 s SER 116 N -1.60 3.88 0.02 2.29 1.04 -1.26 -4.87 113.70 113.21 3k32 s SER 116 Ca 0.77 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.89 3k32 s SER 116 Cb -0.30 -0.20 -0.17 0.00 0.10 0.00 0.00 66.02 65.45 3k32 s SER 116 CO 0.33 -2.19 1.36 0.22 0.98 0.00 0.00 173.24 173.94 3k32 h TYR 117 N -0.98 -0.32 -0.88 5.02 5.03 -2.00 -1.29 116.97 121.56 3k32 h TYR 117 Ca -0.40 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 60.97 3k32 h TYR 117 Cb 1.26 0.11 -0.06 0.00 1.55 0.00 0.00 36.73 39.58 3k32 h TYR 117 CO -0.54 -0.02 0.57 0.77 -1.32 0.00 0.00 178.16 177.62 3k32 h SER 118 N -0.62 0.86 -0.35 -2.11 0.02 -1.99 -1.55 113.55 107.81 3k32 h SER 118 Ca -0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3k32 h SER 118 Cb 0.44 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3k32 h SER 118 CO 0.06 0.54 0.22 -0.33 -1.14 0.00 0.00 176.83 176.19 3k32 h GLU 119 N 0.97 0.44 -0.46 3.45 5.08 -1.87 0.31 114.58 122.50 3k32 h GLU 119 Ca 0.38 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 3k32 h GLU 119 Cb 0.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3k32 h GLU 119 CO -0.14 0.29 0.25 0.82 -1.00 0.00 0.00 179.01 179.23 3k32 h ILE 120 N 0.46 1.16 0.27 3.13 2.04 -0.59 -2.06 117.51 121.92 3k32 h ILE 120 Ca 0.13 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3k32 h ILE 120 Cb -0.04 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3k32 h ILE 120 CO -0.04 0.17 -0.13 1.56 0.00 0.00 0.00 178.15 179.71 3k32 h GLN 121 N 0.60 -0.35 -0.37 2.37 1.08 -0.99 -1.60 115.11 115.85 3k32 h GLN 121 Ca 0.16 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 3k32 h GLN 121 Cb 0.05 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.47 3k32 h GLN 121 CO -0.03 -0.23 -0.21 1.03 -0.95 0.00 0.00 178.83 178.44 3k32 h SER 122 N -0.36 -0.70 -0.11 1.46 0.87 -0.87 -2.42 113.55 111.41 3k32 h SER 122 Ca -0.04 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 3k32 h SER 122 Cb 0.28 0.37 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3k32 h SER 122 CO 0.06 -0.24 -0.09 0.25 -0.53 0.00 0.00 176.83 176.28 3k32 h LEU 123 N -0.15 -0.30 -1.01 2.23 6.46 -1.05 0.29 115.31 121.77 3k32 h LEU 123 Ca 0.18 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3k32 h LEU 123 Cb 0.43 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3k32 h LEU 123 CO -0.46 -0.13 0.00 -0.62 -0.62 0.00 0.00 178.44 176.61 3k32 n GLU 124 N -5.23 0.21 0.00 1.25 1.02 -0.63 -2.08 120.64 115.18 3k32 n GLU 124 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3k32 n GLU 124 Cb 0.16 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 0.40 0.00 -0.09 3.49 1.74 0.10 -1.92 116.66 120.38 3k32 n ARG 126 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3k32 n ARG 126 Cb 0.05 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.58 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 2.62 -3.54 5.56 5.02 -0.88 -5.01 118.16 121.92 3k32 n LYS 127 Ca 0.00 -1.73 -0.25 0.00 -2.02 0.00 0.00 58.31 54.31 3k32 n LYS 127 Cb 0.00 -1.16 0.05 0.00 -0.02 0.00 0.00 35.03 33.91 3k32 n LYS 127 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k32 n ASN 128 N 0.13 -5.18 -4.13 4.39 5.15 -0.81 -4.98 115.26 109.84 3k32 n ASN 128 Ca 0.07 -0.89 -0.20 0.00 -0.60 0.00 0.00 54.58 52.95 3k32 n ASN 128 Cb 0.33 -4.09 -0.09 0.00 -0.53 0.00 0.00 39.78 35.40 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 -3.47 0.55 -0.18 -1.44 -4.36 -1.14 -4.89 121.20 106.27 3k32 s ILE 129 Ca 0.40 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.79 3k32 s ILE 129 Cb -0.11 -2.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.07 3k32 s ILE 129 CO 0.81 0.00 -0.13 -1.10 0.24 0.00 0.00 174.94 174.77 3k32 s GLN 130 N -3.83 3.24 -0.24 0.37 -0.21 0.14 -4.57 119.66 114.56 3k32 s GLN 130 Ca 0.33 -0.72 -0.09 0.00 0.02 0.00 0.00 55.36 54.90 3k32 s GLN 130 Cb 0.05 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 3k32 s GLN 130 CO 0.16 -0.07 0.12 -0.47 -2.12 0.00 0.00 175.29 172.91 3k32 s TYR 131 N 1.05 3.19 -0.10 0.91 5.04 -1.26 -0.63 117.35 125.55 3k32 s TYR 131 Ca -0.01 -0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.58 3k32 s TYR 131 Cb -0.15 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.92 3k32 s TYR 131 CO -0.03 -0.13 -0.17 0.42 -1.34 0.00 0.00 175.55 174.29 3k32 s ILE 132 N 1.32 1.62 -0.49 3.14 1.01 0.29 -5.00 121.20 123.08 3k32 s ILE 132 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3k32 s ILE 132 Cb -0.15 -1.45 0.14 0.00 0.01 0.00 0.00 42.46 41.01 3k32 s ILE 132 CO 0.05 0.46 0.28 0.42 0.00 0.00 0.00 174.94 176.16 3k32 s THR 133 N 0.79 1.82 0.40 2.92 -4.23 -1.26 -2.76 115.64 113.32 3k32 s THR 133 Ca -0.10 -2.98 0.19 0.00 -1.18 0.00 0.00 61.69 57.62 3k32 s THR 133 Cb -0.16 -2.26 0.21 0.00 1.34 0.00 0.00 72.50 71.63 3k32 s THR 133 CO 0.01 -0.91 1.97 -0.65 -0.54 0.00 0.00 174.62 174.51 3k32 h PRO 134 N 6.42 0.00 -4.36 3.99 0.11 -1.85 -3.41 132.00 132.89 3k32 h PRO 134 Ca 0.01 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.39 3k32 h PRO 134 Cb 0.89 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 3k32 h PRO 134 CO 0.56 0.21 2.12 1.28 -0.21 0.00 0.00 178.00 181.95 3k32 n LEU 135 N -3.96 6.01 0.00 2.35 4.77 -1.26 -4.70 117.00 120.22 3k32 n LEU 135 Ca -0.02 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.60 3k32 n LEU 135 Cb 0.29 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.78 3k32 n LEU 135 CO 0.34 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3k32 n GLY 137 N 3.88 0.00 3.13 -0.72 0.00 -1.26 -2.69 105.19 107.53 3k32 n GLY 137 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 3.19 0.99 1.61 0.40 -1.26 -5.00 117.98 117.91 3k32 s PHE 138 Ca 0.00 -2.00 -0.12 0.00 -0.60 0.00 0.00 56.93 54.20 3k32 s PHE 138 Cb 0.00 -2.00 0.18 0.00 0.51 0.00 0.00 43.02 41.71 3k32 s PHE 138 CO 0.00 -0.83 1.10 0.20 0.70 0.00 0.00 175.22 176.39 3k32 s GLY 139 N 1.20 1.57 0.19 4.36 0.00 -1.26 -3.90 107.32 109.48 3k32 s GLY 139 Ca -0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.17 3k32 s GLY 139 CO -0.04 0.24 1.66 -1.82 0.00 0.00 0.00 173.10 173.14 3k32 h TYR 140 N -1.86 -0.18 -0.97 1.90 5.03 -1.98 -0.78 116.97 118.12 3k32 h TYR 140 Ca -0.54 0.04 0.02 0.00 2.58 0.00 0.00 58.73 60.83 3k32 h TYR 140 Cb 1.33 0.16 -0.05 0.00 1.55 0.00 0.00 36.73 39.72 3k32 h TYR 140 CO 0.30 -0.19 0.64 0.87 -1.32 0.00 0.00 178.16 178.46 3k32 h LYS 141 N 0.05 1.23 -0.02 1.82 1.57 -1.99 0.85 116.57 120.08 3k32 h LYS 141 Ca 0.26 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3k32 h LYS 141 Cb 0.41 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3k32 h LYS 141 CO -0.51 0.82 -0.12 1.15 -0.57 0.00 0.00 179.45 180.22 3k32 h THR 142 N 1.27 1.51 -0.75 -0.16 2.02 -1.76 -0.54 112.91 114.51 3k32 h THR 142 Ca 0.37 -1.69 0.13 0.00 0.77 0.00 0.00 66.41 65.99 3k32 h THR 142 Cb -0.08 2.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.82 3k32 h THR 142 CO -0.10 0.46 0.33 -0.07 0.37 0.00 0.00 175.52 176.51 3k32 h LEU 143 N -0.51 0.35 -0.30 2.58 4.07 -1.07 0.30 115.31 120.72 3k32 h LEU 143 Ca -0.01 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 3k32 h LEU 143 Cb 0.81 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3k32 h LEU 143 CO 0.03 0.15 0.11 -0.09 -1.08 0.00 0.00 178.44 177.56 3k32 h ARG 144 N 0.50 0.46 -0.93 1.13 2.43 -0.64 -1.03 114.38 116.30 3k32 h ARG 144 Ca 0.41 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 3k32 h ARG 144 Cb 0.57 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 3k32 h ARG 144 CO -0.37 0.48 0.60 1.25 -1.51 0.00 0.00 179.97 180.43 3k32 h HIS 145 N 0.33 1.09 0.05 2.20 2.76 -0.26 -2.96 115.15 118.37 3k32 h HIS 145 Ca 0.10 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 58.06 3k32 h HIS 145 Cb 0.21 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 3k32 h HIS 145 CO -0.00 0.58 -1.05 -0.07 -1.30 0.00 0.00 177.93 176.10 3k32 h LEU 146 N 1.09 0.37 -0.94 0.26 3.38 -0.39 -2.88 115.31 116.20 3k32 h LEU 146 Ca 0.39 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3k32 h LEU 146 Cb 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3k32 h LEU 146 CO -0.14 1.20 -0.03 0.00 0.09 0.00 0.00 178.44 179.55 3k32 h ALA 147 N 0.76 1.12 0.00 1.53 0.00 -1.17 -1.76 119.26 119.75 3k32 h ALA 147 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3k32 h ALA 147 Cb 1.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3k32 h ALA 147 CO 0.17 0.56 -0.11 -1.13 0.00 0.00 0.00 179.25 178.74 3k32 n SER 148 N -4.21 0.82 -0.00 0.00 3.41 -1.12 -0.88 113.62 111.63 3k32 n SER 148 Ca 0.02 0.50 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 3k32 n SER 148 Cb 0.31 -0.63 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 3k32 n SER 148 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3k32 h GLU 149 N 0.00 0.08 0.04 4.33 4.39 -1.27 -3.41 114.58 118.74 3k32 h GLU 149 Ca 0.00 -0.14 -0.35 0.00 0.34 0.00 0.00 59.36 59.21 3k32 h GLU 149 Cb 0.75 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 3k32 h GLU 149 CO 0.00 0.74 -2.06 1.19 -1.16 0.00 0.00 179.01 177.71 3k32 n PHE 150 N -3.20 0.75 -4.63 4.33 3.72 -0.69 -4.34 117.46 113.42 3k32 n PHE 150 Ca -0.19 0.20 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 3k32 n PHE 150 Cb 1.04 -1.11 -0.14 0.00 -0.94 0.00 0.00 39.48 38.33 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 -2.55 2.35 -0.12 1.38 0.08 -0.06 -1.75 117.98 117.31 3k32 s PHE 151 Ca -0.17 -0.37 -0.25 0.00 0.12 0.00 0.00 56.93 56.25 3k32 s PHE 151 Cb 0.07 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 41.17 3k32 s PHE 151 CO 0.77 0.25 0.82 0.42 -0.10 0.00 0.00 175.22 177.37 3k32 s ILE 152 N -0.95 4.92 0.31 0.64 1.01 0.93 -4.58 121.20 123.49 3k32 s ILE 152 Ca 0.13 1.64 0.10 0.00 0.00 0.00 0.00 60.65 62.52 3k32 s ILE 152 Cb -0.10 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 3k32 s ILE 152 CO 0.05 0.10 -0.13 -0.76 0.00 0.00 0.00 174.94 174.20 3k32 s LEU 153 N 1.67 2.66 -0.16 2.97 1.43 -1.26 -0.20 118.68 125.80 3k32 s LEU 153 Ca 0.40 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.11 3k32 s LEU 153 Cb -0.17 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.12 3k32 s LEU 153 CO 0.16 -0.14 0.63 -0.70 0.23 0.00 0.00 176.35 176.53 3k32 s GLU 154 N -3.59 0.85 -0.38 1.70 2.12 -0.41 -4.89 118.70 114.10 3k32 s GLU 154 Ca 0.31 0.59 -0.29 0.00 0.36 0.00 0.00 54.97 55.94 3k32 s GLU 154 Cb 0.00 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.82 3k32 s GLU 154 CO 0.15 -0.18 1.12 -2.00 -0.54 0.00 0.00 175.26 173.81 3k32 s GLU 155 N -0.32 3.92 -0.21 4.30 2.56 -1.26 -0.22 118.70 127.48 3k32 s GLU 155 Ca -0.05 0.89 -0.12 0.00 0.00 0.00 0.00 54.97 55.70 3k32 s GLU 155 Cb -0.03 -3.81 -0.05 0.00 2.00 0.00 0.00 34.13 32.24 3k32 s GLU 155 CO 0.04 -1.10 0.21 -1.50 -0.56 0.00 0.00 175.26 172.35 3k32 s ILE 156 N 4.02 5.34 -0.30 -3.70 2.07 -0.99 -4.94 121.20 122.71 3k32 s ILE 156 Ca 0.47 0.33 -0.14 0.00 -1.41 0.00 0.00 60.65 59.90 3k32 s ILE 156 Cb -0.11 -3.55 0.19 0.00 0.13 0.00 0.00 42.46 39.13 3k32 s ILE 156 CO 0.22 0.37 1.15 -1.59 -1.91 0.00 0.00 174.94 173.18 3k32 s LYS 157 N 0.75 0.02 0.00 3.50 0.00 -1.26 -4.35 119.74 118.40 3k32 s LYS 157 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 55.97 56.08 3k32 s LYS 157 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 37.83 37.71 3k32 s LYS 157 CO 0.03 -0.03 0.00 0.43 0.00 0.00 0.00 175.35 175.78 3k32 n SER 164 N 3.68 0.00 -4.32 0.03 7.64 -1.22 -5.22 113.62 114.21 3k32 n SER 164 Ca 0.05 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.75 3k32 n SER 164 Cb 0.64 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.87 3k32 n SER 164 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3k32 n ASP 165 N 0.00 1.97 0.28 6.43 5.68 -1.26 -4.71 116.55 124.94 3k32 n ASP 165 Ca 0.00 -2.34 0.18 0.00 -0.50 0.00 0.00 54.79 52.13 3k32 n ASP 165 Cb 0.00 -0.22 0.98 0.00 -1.14 0.00 0.00 41.12 40.74 3k32 n ASP 165 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3k32 h TYR 166 N 0.30 0.00 -0.51 2.11 0.05 -2.01 -3.16 116.97 113.76 3k32 h TYR 166 Ca -0.24 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 3k32 h TYR 166 Cb 1.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3k32 h TYR 166 CO 0.00 0.00 0.27 1.49 -1.05 0.00 0.00 178.16 178.87 3k32 h GLU 167 N 0.00 0.71 0.31 4.88 4.81 -1.99 -1.98 114.58 121.33 3k32 h GLU 167 Ca 0.00 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3k32 h GLU 167 Cb 0.09 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3k32 h GLU 167 CO 0.00 0.57 -0.28 0.00 -0.73 0.00 0.00 179.01 178.57 3k32 h ALA 168 N 1.11 -0.60 -0.60 2.92 0.00 -1.97 0.17 119.26 120.29 3k32 h ALA 168 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k32 h ALA 168 Cb 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3k32 h ALA 168 CO -0.03 -0.86 0.39 0.93 0.00 0.00 0.00 179.25 179.68 3k32 h GLU 169 N -0.60 0.78 -0.06 0.00 5.08 -1.79 0.18 114.58 118.17 3k32 h GLU 169 Ca -0.02 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3k32 h GLU 169 Cb 0.54 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3k32 h GLU 169 CO -0.04 0.51 -0.01 0.82 -1.00 0.00 0.00 179.01 179.30 3k32 h ILE 170 N 0.80 0.95 -0.78 3.13 2.04 -1.15 -1.11 117.51 121.39 3k32 h ILE 170 Ca 0.22 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.11 3k32 h ILE 170 Cb -0.08 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3k32 h ILE 170 CO -0.05 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.64 3k32 h ARG 171 N 0.01 0.94 -0.27 2.37 3.08 -0.41 -1.88 114.38 118.21 3k32 h ARG 171 Ca 0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3k32 h ARG 171 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3k32 h ARG 171 CO -0.05 0.62 0.15 1.25 -1.07 0.00 0.00 179.97 180.86 3k32 h HIS 172 N 0.96 0.38 -0.89 3.04 2.76 -0.12 -1.06 115.15 120.23 3k32 h HIS 172 Ca 0.31 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.59 3k32 h HIS 172 Cb 0.03 -0.12 -0.08 0.00 1.55 0.00 0.00 27.41 28.79 3k32 h HIS 172 CO -0.00 0.32 0.51 0.82 -1.30 0.00 0.00 177.93 178.28 3k32 h ILE 173 N 0.33 0.84 -0.28 6.26 2.04 -0.68 -1.80 117.51 124.22 3k32 h ILE 173 Ca 0.10 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3k32 h ILE 173 Cb 0.07 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3k32 h ILE 173 CO -0.02 0.14 0.16 -0.07 0.00 0.00 0.00 178.15 178.37 3k32 h LEU 174 N 0.79 0.25 -0.34 1.44 3.38 -0.49 -1.75 115.31 118.60 3k32 h LEU 174 Ca 0.46 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.49 3k32 h LEU 174 Cb 0.52 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3k32 h LEU 174 CO -0.30 0.19 -0.06 0.50 0.09 0.00 0.00 178.44 178.87 3k32 h LYS 175 N 0.33 0.03 -0.75 1.13 3.64 -0.50 0.11 116.57 120.56 3k32 h LYS 175 Ca 0.11 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 3k32 h LYS 175 Cb 0.00 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3k32 h LYS 175 CO -0.06 0.02 0.50 0.93 -2.27 0.00 0.00 179.45 178.58 3k32 h GLU 176 N 0.03 0.40 0.00 1.90 5.08 -0.85 -0.85 114.58 120.29 3k32 h GLU 176 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3k32 h GLU 176 Cb 0.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3k32 h GLU 176 CO -0.32 0.26 -0.01 0.00 -1.00 0.00 0.00 179.01 177.94 3k32 h ARG 177 N 0.41 0.00 0.00 2.33 3.08 -0.20 -3.46 114.38 116.54 3k32 h ARG 177 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3k32 h ARG 177 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3k32 h ARG 177 CO -0.12 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.19 3k32 n GLY 178 N 1.12 0.99 3.85 0.04 0.00 -0.32 -5.10 105.19 105.76 3k32 n GLY 178 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.44 3.86 -0.21 1.61 0.41 -0.15 -4.98 118.70 118.80 3k32 s GLU 179 Ca 0.00 0.33 -0.26 0.00 -0.41 0.00 0.00 54.97 54.63 3k32 s GLU 179 Cb 0.00 -3.17 -0.01 0.00 -1.78 0.00 0.00 34.13 29.18 3k32 s GLU 179 CO 0.00 0.67 0.89 -1.54 -0.49 0.00 0.00 175.26 174.78 3k32 s SER 180 N -1.23 6.96 0.38 -0.19 1.04 -1.26 -3.12 113.70 116.27 3k32 s SER 180 Ca 0.25 1.19 0.15 0.00 0.48 0.00 0.00 55.95 58.03 3k32 s SER 180 Cb -0.16 -2.47 0.75 0.00 0.10 0.00 0.00 66.02 64.24 3k32 s SER 180 CO 0.14 -0.50 1.81 -0.65 0.98 0.00 0.00 173.24 175.01 3k32 h PRO 181 N 7.48 0.00 -0.66 4.02 0.11 -1.91 -3.03 132.00 138.00 3k32 h PRO 181 Ca -0.25 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.94 3k32 h PRO 181 Cb 1.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3k32 h PRO 181 CO 0.88 0.38 0.44 0.93 -0.21 0.00 0.00 178.00 180.42 3k32 h GLU 182 N 0.00 0.59 -0.53 1.05 4.39 -1.92 0.11 114.58 118.28 3k32 h GLU 182 Ca -0.00 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.69 3k32 h GLU 182 Cb 0.73 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3k32 h GLU 182 CO 0.05 0.39 0.35 -0.22 -1.16 0.00 0.00 179.01 178.42 3k32 h LYS 183 N 0.61 0.60 0.00 2.33 3.64 -1.91 -3.18 116.57 118.66 3k32 h LYS 183 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3k32 h LYS 183 Cb 0.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3k32 h LYS 183 CO -0.09 0.40 -1.93 0.66 -2.27 0.00 0.00 179.45 176.21 3k32 n TYR 184 N -4.47 0.00 -4.36 1.91 4.02 0.18 -4.93 117.16 109.50 3k32 n TYR 184 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.66 3k32 n TYR 184 Cb 0.13 -0.46 -0.12 0.00 -0.02 0.00 0.00 39.34 38.86 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 -3.41 2.38 0.00 -0.72 0.40 -0.02 -4.55 117.98 112.05 3k32 s PHE 185 Ca -0.07 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 3k32 s PHE 185 Cb 0.13 -1.28 0.00 0.00 0.51 0.00 0.00 43.02 42.38 3k32 s PHE 185 CO 0.85 0.36 0.00 -2.30 0.70 0.00 0.00 175.22 174.82 3k32 n PRO 186 N 0.86 1.45 0.00 0.24 -0.02 -1.26 -4.58 135.00 131.69 3k32 n PRO 186 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3k32 n PRO 186 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3k32 n PRO 186 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3k32 n GLU 187 N 0.00 0.00 0.00 -0.52 0.00 -1.26 -4.93 120.64 113.92 3k32 n GLU 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3k32 n GLU 187 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3k32 n GLU 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3k32 n LYS 189 N 0.00 0.00 -4.58 3.44 4.81 -1.26 -5.21 118.16 115.36 3k32 n LYS 189 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 3k32 n LYS 189 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 3k32 n LYS 189 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3k32 s GLN 190 N 0.00 3.52 0.00 1.64 -0.21 -1.26 -5.11 119.66 118.24 3k32 s GLN 190 Ca 0.00 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.82 3k32 s GLN 190 Cb 0.00 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 3k32 s GLN 190 CO 0.00 0.22 -0.14 0.99 -2.12 0.00 0.00 175.29 174.24 3k32 s THR 191 N 0.38 3.07 -0.13 -0.19 2.01 -1.26 -2.34 115.64 117.18 3k32 s THR 191 Ca -0.07 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 3k32 s THR 191 Cb -0.15 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 3k32 s THR 191 CO 0.04 0.44 -0.07 -0.60 -0.69 0.00 0.00 174.62 173.74 3k32 s ARG 192 N -1.18 3.41 0.06 4.92 3.52 0.70 -4.49 118.95 125.89 3k32 s ARG 192 Ca 0.14 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 3k32 s ARG 192 Cb -0.11 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 3k32 s ARG 192 CO 0.04 0.32 1.12 0.08 -0.81 0.00 0.00 175.30 176.06 3k32 s VAL 193 N 0.11 4.23 -0.00 7.11 1.01 -1.26 -1.29 120.40 130.31 3k32 s VAL 193 Ca -0.02 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3k32 s VAL 193 Cb -0.14 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3k32 s VAL 193 CO 0.03 0.15 0.03 0.52 0.00 0.00 0.00 175.10 175.83 3k32 n VAL 194 N 3.69 0.00 -3.85 2.92 0.31 0.72 -4.88 118.33 117.24 3k32 n VAL 194 Ca 0.07 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.40 3k32 n VAL 194 Cb 0.48 0.44 0.01 0.00 -0.91 0.00 0.00 33.84 33.86 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 -2.15 -0.25 -0.05 2.92 0.00 -1.12 -4.97 107.32 101.69 3k32 s GLY 195 Ca -0.00 0.32 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 3k32 s GLY 195 CO 0.05 3.81 0.29 1.08 0.00 0.00 0.00 173.10 178.33 3k32 s LEU 196 N -3.53 4.44 -0.18 0.66 1.02 -1.26 -0.05 118.68 119.78 3k32 s LEU 196 Ca 0.24 0.74 -0.20 0.00 0.02 0.00 0.00 54.13 54.94 3k32 s LEU 196 Cb 0.02 -2.35 -0.22 0.00 0.02 0.00 0.00 46.19 43.66 3k32 s LEU 196 CO -0.03 0.36 0.33 0.11 0.02 0.00 0.00 176.35 177.14 3k32 h LYS 197 N 4.84 0.06 -6.63 1.70 1.79 -1.60 -3.44 116.57 113.30 3k32 h LYS 197 Ca -0.53 -0.11 -0.48 0.00 -2.18 0.00 0.00 60.65 57.35 3k32 h LYS 197 Cb 1.22 0.04 0.03 0.00 -1.58 0.00 0.00 32.23 31.94 3k32 h LYS 197 CO 0.60 1.05 -0.11 0.15 -1.08 0.00 0.00 179.45 180.06 3k32 s LYS 198 N -2.39 2.36 -0.10 3.15 1.02 -1.25 -5.09 119.74 117.44 3k32 s LYS 198 Ca -0.26 -1.57 -0.05 0.00 0.02 0.00 0.00 55.97 54.11 3k32 s LYS 198 Cb 0.05 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 3k32 s LYS 198 CO 0.64 -0.79 0.09 -2.00 -0.92 0.00 0.00 175.35 172.37 3k32 s GLU 199 N -4.64 3.26 0.00 1.68 2.56 -1.26 -5.03 118.70 115.28 3k32 s GLU 199 Ca 0.61 -0.25 0.07 0.00 0.00 0.00 0.00 54.97 55.40 3k32 s GLU 199 Cb -0.06 -3.04 0.41 0.00 2.00 0.00 0.00 34.13 33.44 3k32 s GLU 199 CO 0.38 0.74 0.87 -0.89 -0.56 0.00 0.00 175.26 175.81