#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 s GLU 2 N 0.00 4.18 -0.09 1.61 2.02 -1.26 -4.99 118.70 120.17 2kb2 s GLU 2 Ca 0.00 2.36 -0.00 0.00 0.02 0.00 0.00 54.97 57.35 2kb2 s GLU 2 Cb 0.00 -3.78 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 2kb2 s GLU 2 CO 0.00 -0.80 -0.05 0.12 0.02 0.00 0.00 175.26 174.54 2kb2 s PHE 3 N 3.27 2.99 0.94 1.61 5.36 -1.26 -5.10 117.98 125.79 2kb2 s PHE 3 Ca 0.77 -0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 56.61 2kb2 s PHE 3 Cb -0.39 -1.77 0.07 0.00 -0.34 0.00 0.00 43.02 40.59 2kb2 s PHE 3 CO 0.33 0.29 0.61 -1.33 -1.46 0.00 0.00 175.22 173.67 2kb2 n MET 4 N 2.44 -0.36 -2.41 10.12 2.81 -1.26 -4.93 117.12 123.52 2kb2 n MET 4 Ca -0.18 -0.06 -0.25 0.00 -1.81 0.00 0.00 57.70 55.41 2kb2 n MET 4 Cb 0.53 -2.00 0.11 0.00 -0.71 0.00 0.00 33.22 31.15 2kb2 n MET 4 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2kb2 s LEU 5 N -2.65 2.93 0.09 4.03 2.96 -0.29 -4.40 118.68 121.35 2kb2 s LEU 5 Ca 0.60 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 54.17 2kb2 s LEU 5 Cb -0.22 -2.26 0.06 0.00 0.50 0.00 0.00 46.19 44.27 2kb2 s LEU 5 CO 0.65 -1.93 0.56 -0.89 -1.32 0.00 0.00 176.35 173.42 2kb2 s THR 6 N -3.27 0.02 -0.40 3.68 2.01 0.14 -0.56 115.64 117.25 2kb2 s THR 6 Ca 0.66 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2kb2 s THR 6 Cb -0.06 -1.01 0.12 0.00 0.01 0.00 0.00 72.50 71.56 2kb2 s THR 6 CO 0.45 -0.08 0.18 -0.89 -0.69 0.00 0.00 174.62 173.59 2kb2 s THR 7 N -2.99 1.45 -0.06 -0.82 2.01 0.27 0.12 115.64 115.63 2kb2 s THR 7 Ca -0.02 -2.28 -0.19 0.00 0.31 0.00 0.00 61.69 59.51 2kb2 s THR 7 Cb -0.00 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 2kb2 s THR 7 CO -0.06 -0.79 0.54 -0.22 -0.69 0.00 0.00 174.62 173.40 2kb2 s LEU 8 N 0.71 4.35 -0.01 4.42 0.20 0.14 -2.04 118.68 126.45 2kb2 s LEU 8 Ca 0.15 1.01 0.03 0.00 0.69 0.00 0.00 54.13 56.00 2kb2 s LEU 8 Cb -0.22 -2.82 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 2kb2 s LEU 8 CO -0.07 0.06 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.32 2kb2 s ILE 9 N 0.16 0.72 0.22 6.68 1.01 -0.03 -0.06 121.20 129.89 2kb2 s ILE 9 Ca 0.29 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 2kb2 s ILE 9 Cb -0.17 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 2kb2 s ILE 9 CO 0.14 0.20 0.20 -0.72 0.00 0.00 0.00 174.94 174.77 2kb2 s TYR 10 N -0.19 1.07 -0.08 3.97 -0.85 -0.80 0.15 117.35 120.62 2kb2 s TYR 10 Ca 0.03 -1.29 -0.03 0.00 -0.52 0.00 0.00 57.07 55.26 2kb2 s TYR 10 Cb -0.04 -0.44 0.04 0.00 0.38 0.00 0.00 41.96 41.91 2kb2 s TYR 10 CO -0.00 -0.72 0.16 -0.98 -1.52 0.00 0.00 175.55 172.49 2kb2 s ARG 11 N -4.06 0.09 0.00 -3.49 1.70 -0.98 -1.09 118.95 111.12 2kb2 s ARG 11 Ca 0.36 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 56.08 2kb2 s ARG 11 Cb 0.05 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 2kb2 s ARG 11 CO 0.13 -0.21 0.00 -1.13 -1.08 0.00 0.00 175.30 173.01 2kb2 n SER 12 N 4.55 1.78 0.00 -2.89 3.41 -0.05 -1.81 113.62 118.61 2kb2 n SER 12 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2kb2 n SER 12 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2kb2 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kb2 n GLN 13 N 0.00 1.60 -2.99 4.33 6.02 -1.26 -2.22 117.38 122.86 2kb2 n GLN 13 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kb2 n GLN 13 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2kb2 n GLN 13 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2kb2 n VAL 14 N 0.00 0.00 -3.15 5.09 3.14 0.59 -3.83 118.33 120.18 2kb2 n VAL 14 Ca 0.00 -0.23 -0.45 0.00 -2.96 0.00 0.00 64.34 60.70 2kb2 n VAL 14 Cb 0.00 0.41 -0.04 0.00 -1.06 0.00 0.00 33.84 33.16 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2kb2 s HIS 15 N -3.16 3.23 0.38 1.45 3.76 -1.20 -4.77 115.29 114.98 2kb2 s HIS 15 Ca 0.15 -1.33 0.31 0.00 -0.15 0.00 0.00 55.06 54.04 2kb2 s HIS 15 Cb -0.01 -4.00 1.67 0.00 1.11 0.00 0.00 32.58 31.35 2kb2 s HIS 15 CO 0.02 -1.24 1.93 -1.00 -0.85 0.00 0.00 174.74 173.60 2kb2 h PRO 16 N 8.74 0.00 0.03 8.40 0.13 -1.93 0.43 132.00 147.81 2kb2 h PRO 16 Ca -0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.72 2kb2 h PRO 16 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2kb2 h PRO 16 CO 1.01 0.00 -1.70 0.22 -0.23 0.00 0.00 178.00 177.30 2kb2 h ASP 17 N 0.00 0.11 -4.52 1.44 3.58 -2.01 -3.47 116.42 111.56 2kb2 h ASP 17 Ca 0.00 -0.23 -0.47 0.00 0.42 0.00 0.00 57.03 56.75 2kb2 h ASP 17 Cb 0.28 -0.04 0.11 0.00 1.72 0.00 0.00 39.33 41.40 2kb2 h ASP 17 CO 0.00 1.20 0.38 -0.13 -2.88 0.00 0.00 179.24 177.82 2kb2 s ARG 18 N -2.60 1.79 0.97 0.28 0.52 0.14 -5.08 118.95 114.96 2kb2 s ARG 18 Ca -0.08 0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.15 2kb2 s ARG 18 Cb 0.08 -1.92 0.21 0.00 0.52 0.00 0.00 34.95 33.83 2kb2 s ARG 18 CO 0.82 -1.73 1.32 -1.25 0.02 0.00 0.00 175.30 174.48 2kb2 s PRO 19 N -5.49 0.54 0.93 3.54 0.05 -1.26 -4.91 135.00 128.39 2kb2 s PRO 19 Ca 0.62 -0.54 -0.13 0.00 0.05 0.00 0.00 61.00 61.00 2kb2 s PRO 19 Cb -0.12 -1.87 0.01 0.00 0.05 0.00 0.00 34.50 32.58 2kb2 s PRO 19 CO 0.50 -2.46 0.32 -2.30 0.05 0.00 0.00 177.00 173.12 2kb2 n PRO 20 N -3.76 -0.21 -3.09 0.56 -0.02 -1.26 -4.97 135.00 122.26 2kb2 n PRO 20 Ca 0.16 -0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.32 2kb2 n PRO 20 Cb 0.59 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 2kb2 n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kb2 s VAL 21 N -2.32 4.87 -0.94 -1.45 1.01 -1.26 -4.97 120.40 115.35 2kb2 s VAL 21 Ca 0.56 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 2kb2 s VAL 21 Cb -0.22 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2kb2 s VAL 21 CO 0.68 -0.39 2.90 0.47 0.00 0.00 0.00 175.10 178.75 2kb2 n ASP 22 N -1.02 7.32 0.00 3.32 9.92 -1.26 -4.72 116.55 130.11 2kb2 n ASP 22 Ca 0.01 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 51.41 2kb2 n ASP 22 Cb 0.54 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kb2 n LEU 23 N 2.22 0.00 -0.11 0.64 4.77 -1.26 0.14 117.00 123.39 2kb2 n LEU 23 Ca 0.60 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 2kb2 n LEU 23 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2kb2 n LEU 23 CO 0.54 0.00 -1.26 -0.67 -1.33 0.00 0.00 177.39 174.66 2kb2 n ASP 24 N -0.62 2.06 0.04 -1.43 -0.08 -1.26 -4.25 116.55 111.01 2kb2 n ASP 24 Ca 0.00 0.03 -0.06 0.00 -1.51 0.00 0.00 54.79 53.25 2kb2 n ASP 24 Cb 0.00 -0.48 -0.11 0.00 2.34 0.00 0.00 41.12 42.88 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb2 h ALA 25 N -0.31 0.58 -0.56 -1.67 0.00 -0.25 -2.59 119.26 114.46 2kb2 h ALA 25 Ca -0.54 -1.06 -0.07 0.00 0.00 0.00 0.00 54.91 53.25 2kb2 h ALA 25 Cb 1.69 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2kb2 h ALA 25 CO -0.18 1.27 0.10 1.25 0.00 0.00 0.00 179.25 181.68 2kb2 h LEU 26 N 0.00 0.89 0.06 0.00 6.46 1.00 -2.87 115.31 120.86 2kb2 h LEU 26 Ca -0.13 -0.26 -0.29 0.00 -0.12 0.00 0.00 57.88 57.09 2kb2 h LEU 26 Cb 1.79 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.46 2kb2 h LEU 26 CO 0.09 0.92 -1.51 1.62 -0.62 0.00 0.00 178.44 178.95 2kb2 h VAL 27 N 0.83 1.14 0.02 1.05 3.04 -1.74 -3.34 116.25 117.24 2kb2 h VAL 27 Ca 0.17 -2.86 0.03 0.00 -1.01 0.00 0.00 66.70 63.03 2kb2 h VAL 27 Cb 0.41 2.66 -0.05 0.00 -2.01 0.00 0.00 31.29 32.29 2kb2 h VAL 27 CO 0.01 0.76 -0.44 -0.74 -1.01 0.00 0.00 177.57 176.14 2kb2 h HIS 28 N 0.03 -1.27 -0.02 3.17 -0.00 -1.37 0.14 115.15 115.84 2kb2 h HIS 28 Ca -0.22 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.19 2kb2 h HIS 28 Cb 1.97 0.55 -0.00 0.00 -0.00 0.00 0.00 27.41 29.93 2kb2 h HIS 28 CO 0.03 -0.52 0.04 0.00 -0.00 0.00 0.00 177.93 177.49 2kb2 h ARG 29 N -0.61 0.00 0.03 5.26 -0.00 -1.68 -2.71 114.38 114.67 2kb2 h ARG 29 Ca 0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.52 2kb2 h ARG 29 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 2kb2 h ARG 29 CO -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 179.97 179.64 2kb2 h ALA 30 N 1.93 -0.04 -1.03 0.04 0.00 -0.97 -3.26 119.26 115.94 2kb2 h ALA 30 Ca 0.01 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.18 2kb2 h ALA 30 Cb 0.09 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2kb2 h ALA 30 CO -0.00 -0.04 0.63 1.03 0.00 0.00 0.00 179.25 180.87 2kb2 h SER 31 N -0.76 0.57 0.19 0.00 0.87 -0.77 0.49 113.55 114.13 2kb2 h SER 31 Ca -0.00 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2kb2 h SER 31 Cb 0.03 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kb2 h SER 31 CO 0.01 0.05 -0.19 0.77 -0.53 0.00 0.00 176.83 176.93 2kb2 h SER 32 N 0.47 0.00 0.02 6.23 4.64 -1.62 -0.81 113.55 122.48 2kb2 h SER 32 Ca 0.65 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.81 2kb2 h SER 32 Cb 1.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.51 2kb2 h SER 32 CO -0.44 0.19 -0.88 0.50 -0.87 0.00 0.00 176.83 175.33 2kb2 h LYS 33 N 0.00 0.04 -0.40 4.77 3.64 -0.14 -3.38 116.57 121.10 2kb2 h LYS 33 Ca -0.00 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2kb2 h LYS 33 Cb 0.34 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2kb2 h LYS 33 CO 0.02 1.03 -0.07 -0.91 -2.27 0.00 0.00 179.45 177.26 2kb2 h ASN 34 N -0.88 0.65 0.24 4.20 4.21 -1.12 -2.42 115.58 120.47 2kb2 h ASN 34 Ca -0.23 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.11 2kb2 h ASN 34 Cb 1.28 -0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 38.27 2kb2 h ASN 34 CO -0.10 0.77 -0.50 0.25 -1.29 0.00 0.00 177.43 176.56 2kb2 h LEU 35 N 0.62 -1.47 -1.39 1.61 5.85 -1.25 0.26 115.31 119.54 2kb2 h LEU 35 Ca 0.12 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 35 Cb 0.50 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2kb2 h LEU 35 CO 0.03 -0.58 -0.24 1.55 -0.34 0.00 0.00 178.44 178.86 2kb2 h PRO 36 N -0.81 0.00 0.00 5.25 0.13 -1.73 -2.37 132.00 132.47 2kb2 h PRO 36 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2kb2 h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kb2 h PRO 36 CO -0.20 0.24 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.67 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.88 -3.46 115.31 116.60 2kb2 h LEU 37 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kb2 h LEU 37 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2kb2 h LEU 37 CO 0.03 0.07 0.00 0.61 -1.08 0.00 0.00 178.44 178.07 2kb2 n GLY 38 N 0.09 0.65 3.88 0.83 0.00 -0.08 -4.93 105.19 105.63 2kb2 n GLY 38 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2kb2 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kb2 s ILE 39 N -2.21 4.85 0.05 -0.61 1.01 0.72 -4.74 121.20 120.28 2kb2 s ILE 39 Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 2kb2 s ILE 39 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2kb2 s ILE 39 CO 0.00 -0.44 0.02 0.42 0.00 0.00 0.00 174.94 174.94 2kb2 s THR 40 N -2.26 0.19 -4.02 2.92 -4.23 0.46 -3.87 115.64 104.83 2kb2 s THR 40 Ca 0.49 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2kb2 s THR 40 Cb -0.10 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.38 2kb2 s THR 40 CO 0.30 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 2kb2 n GLY 41 N 0.22 -0.83 3.33 3.99 0.00 0.66 -0.07 105.19 112.49 2kb2 n GLY 41 Ca -0.15 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 2kb2 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kb2 s ILE 42 N -3.00 0.05 0.31 -0.61 2.07 -0.85 -3.32 121.20 115.86 2kb2 s ILE 42 Ca 0.00 -0.38 0.09 0.00 -1.41 0.00 0.00 60.65 58.95 2kb2 s ILE 42 Cb 0.00 -0.85 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 2kb2 s ILE 42 CO 0.00 -0.21 0.02 -0.76 -1.91 0.00 0.00 174.94 172.08 2kb2 s LEU 43 N -1.65 3.09 0.02 8.50 1.43 -0.73 -0.46 118.68 128.88 2kb2 s LEU 43 Ca -0.09 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.15 2kb2 s LEU 43 Cb -0.02 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2kb2 s LEU 43 CO 0.02 -0.15 0.04 -0.76 0.23 0.00 0.00 176.35 175.73 2kb2 s LEU 44 N -3.72 1.99 -0.14 1.79 1.02 0.13 0.39 118.68 120.15 2kb2 s LEU 44 Ca 0.34 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.90 2kb2 s LEU 44 Cb -0.03 0.39 0.05 0.00 0.02 0.00 0.00 46.19 46.61 2kb2 s LEU 44 CO 0.20 -0.41 0.34 0.12 0.02 0.00 0.00 176.35 176.62 2kb2 s PHE 45 N -2.06 -0.45 -0.00 0.29 5.36 -0.85 -2.18 117.98 118.08 2kb2 s PHE 45 Ca -0.10 1.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.90 2kb2 s PHE 45 Cb -0.05 0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.80 2kb2 s PHE 45 CO -0.02 -0.26 0.98 0.27 -1.46 0.00 0.00 175.22 174.72 2kb2 n ASN 46 N 3.89 1.91 0.00 6.13 0.23 -1.17 0.14 115.26 126.39 2kb2 n ASN 46 Ca -0.21 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 2kb2 n ASN 46 Cb 0.55 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 2kb2 n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kb2 n GLY 47 N -0.51 0.58 0.00 4.83 0.00 -1.26 -4.77 105.19 104.07 2kb2 n GLY 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kb2 n GLY 47 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kb2 n LEU 48 N 0.00 0.00 -4.48 0.99 -0.00 -1.26 -4.94 117.00 107.31 2kb2 n LEU 48 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 2kb2 n LEU 48 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2kb2 n LEU 48 CO 0.00 0.00 -0.44 -1.10 -0.00 0.00 0.00 177.39 175.85 2kb2 s GLN 49 N -1.00 1.68 -0.21 1.96 -0.21 -1.26 -0.30 119.66 120.33 2kb2 s GLN 49 Ca 0.00 -1.81 0.01 0.00 0.02 0.00 0.00 55.36 53.58 2kb2 s GLN 49 Cb 0.00 -1.64 0.05 0.00 1.00 0.00 0.00 33.01 32.42 2kb2 s GLN 49 CO 0.00 0.23 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.24 2kb2 s PHE 50 N -2.63 2.50 -0.24 0.91 0.08 -0.94 -3.03 117.98 114.64 2kb2 s PHE 50 Ca 0.30 -1.68 -0.08 0.00 0.12 0.00 0.00 56.93 55.58 2kb2 s PHE 50 Cb -0.01 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2kb2 s PHE 50 CO 0.14 -0.76 0.10 0.12 -0.10 0.00 0.00 175.22 174.72 2kb2 s PHE 51 N 1.37 3.18 -0.10 0.36 5.36 -0.93 -0.87 117.98 126.34 2kb2 s PHE 51 Ca -0.02 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.86 2kb2 s PHE 51 Cb -0.17 -2.22 0.01 0.00 -0.34 0.00 0.00 43.02 40.30 2kb2 s PHE 51 CO -0.08 -0.13 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.26 2kb2 s GLN 52 N 1.24 2.17 -0.55 10.12 0.74 -0.25 0.19 119.66 133.32 2kb2 s GLN 52 Ca 0.05 -0.55 -0.18 0.00 0.05 0.00 0.00 55.36 54.74 2kb2 s GLN 52 Cb -0.14 -1.83 0.10 0.00 1.10 0.00 0.00 33.01 32.23 2kb2 s GLN 52 CO 0.04 -0.04 0.60 0.08 -0.55 0.00 0.00 175.29 175.42 2kb2 s VAL 53 N 0.92 4.98 -0.16 1.34 1.01 0.39 -1.91 120.40 126.97 2kb2 s VAL 53 Ca -0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 2kb2 s VAL 53 Cb -0.15 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2kb2 s VAL 53 CO -0.00 -0.93 0.09 -0.76 0.00 0.00 0.00 175.10 173.49 2kb2 s LEU 54 N 2.27 4.02 -0.13 3.92 1.02 0.91 -2.00 118.68 128.69 2kb2 s LEU 54 Ca 0.09 0.21 -0.04 0.00 0.02 0.00 0.00 54.13 54.41 2kb2 s LEU 54 Cb -0.25 -2.00 0.05 0.00 0.02 0.00 0.00 46.19 44.01 2kb2 s LEU 54 CO 0.06 0.25 0.09 -1.83 0.02 0.00 0.00 176.35 174.94 2kb2 s GLU 55 N -0.06 0.02 0.00 1.70 -1.05 0.90 0.24 118.70 120.46 2kb2 s GLU 55 Ca 0.08 0.11 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 2kb2 s GLU 55 Cb -0.12 -1.31 0.00 0.00 -0.44 0.00 0.00 34.13 32.26 2kb2 s GLU 55 CO 0.01 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.08 2kb2 n GLY 56 N 5.29 -1.19 3.69 -3.83 0.00 0.32 -0.41 105.19 109.06 2kb2 n GLY 56 Ca -0.06 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 2kb2 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kb2 n THR 57 N 0.19 0.57 -0.30 2.61 -2.24 -1.26 0.23 114.28 114.08 2kb2 n THR 57 Ca 0.00 -0.14 0.19 0.00 -2.27 0.00 0.00 64.05 61.83 2kb2 n THR 57 Cb 0.00 -1.61 0.48 0.00 -2.10 0.00 0.00 70.33 67.10 2kb2 n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kb2 h GLU 58 N 5.07 0.46 -0.40 -0.78 4.22 -1.84 0.33 114.58 121.63 2kb2 h GLU 58 Ca -0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 58.94 2kb2 h GLU 58 Cb 1.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2kb2 h GLU 58 CO 0.82 0.30 0.16 1.05 -2.18 0.00 0.00 179.01 179.16 2kb2 h GLU 59 N 0.47 0.57 0.22 1.92 4.11 -1.94 -1.41 114.58 118.53 2kb2 h GLU 59 Ca 0.54 -0.07 -0.33 0.00 0.07 0.00 0.00 59.36 59.57 2kb2 h GLU 59 Cb 1.26 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.43 2kb2 h GLU 59 CO -0.26 0.48 -1.43 0.00 0.07 0.00 0.00 179.01 177.87 2kb2 h ALA 60 N 1.61 -0.12 -0.48 1.06 0.00 -0.77 -3.18 119.26 117.39 2kb2 h ALA 60 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2kb2 h ALA 60 Cb 0.12 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kb2 h ALA 60 CO -0.01 0.72 0.28 -0.07 0.00 0.00 0.00 179.25 180.16 2kb2 h LEU 61 N 0.16 0.58 0.82 0.00 3.38 -0.78 0.85 115.31 120.33 2kb2 h LEU 61 Ca -0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2kb2 h LEU 61 Cb 2.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2kb2 h LEU 61 CO 0.27 0.48 -0.46 -0.08 0.09 0.00 0.00 178.44 178.74 2kb2 h GLU 62 N 0.64 -1.14 -0.35 1.13 4.57 -1.38 0.16 114.58 118.20 2kb2 h GLU 62 Ca 0.17 0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.47 2kb2 h GLU 62 Cb 0.02 0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 2kb2 h GLU 62 CO -0.03 -0.76 0.12 0.77 -1.18 0.00 0.00 179.01 177.92 2kb2 h SER 63 N -1.19 0.12 0.60 1.04 0.02 -1.52 0.62 113.55 113.24 2kb2 h SER 63 Ca -0.11 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2kb2 h SER 63 Cb 0.94 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2kb2 h SER 63 CO 0.14 0.10 -0.30 0.25 -1.14 0.00 0.00 176.83 175.88 2kb2 h LEU 64 N 0.26 -0.73 -1.70 5.07 7.12 -0.76 -0.08 115.31 124.49 2kb2 h LEU 64 Ca 0.16 0.03 0.31 0.00 0.13 0.00 0.00 57.88 58.51 2kb2 h LEU 64 Cb 0.14 0.19 -0.07 0.00 -0.53 0.00 0.00 40.66 40.39 2kb2 h LEU 64 CO -0.17 -0.50 0.76 0.15 -0.13 0.00 0.00 178.44 178.55 2kb2 h PHE 65 N -0.83 0.31 0.00 1.25 3.57 -0.63 1.00 116.94 121.61 2kb2 h PHE 65 Ca -0.08 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.29 2kb2 h PHE 65 Cb 0.64 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2kb2 h PHE 65 CO 0.07 0.02 -0.64 1.03 -2.23 0.00 0.00 178.31 176.55 2kb2 h SER 66 N 0.17 0.00 0.58 0.41 0.87 -0.34 -2.69 113.55 112.55 2kb2 h SER 66 Ca 0.58 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 61.01 2kb2 h SER 66 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.87 2kb2 h SER 66 CO -0.15 0.64 -0.60 -0.33 -0.53 0.00 0.00 176.83 175.86 2kb2 h GLU 67 N 0.00 0.02 0.56 2.24 4.39 0.29 -3.23 114.58 118.85 2kb2 h GLU 67 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2kb2 h GLU 67 Cb 1.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2kb2 h GLU 67 CO 0.08 0.62 -0.27 0.82 -1.16 0.00 0.00 179.01 179.10 2kb2 h ILE 68 N 0.02 0.36 0.00 3.13 5.03 -0.85 -2.76 117.51 122.44 2kb2 h ILE 68 Ca -0.01 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.45 2kb2 h ILE 68 Cb 1.07 0.46 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 2kb2 h ILE 68 CO 0.08 0.04 0.04 0.00 -0.68 0.00 0.00 178.15 177.63 2kb2 n GLN 69 N -5.34 0.01 -0.64 2.37 6.02 -1.05 0.36 117.38 119.11 2kb2 n GLN 69 Ca -0.12 0.47 0.09 0.00 -0.01 0.00 0.00 57.00 57.43 2kb2 n GLN 69 Cb 0.33 -1.56 0.35 0.00 1.02 0.00 0.00 30.24 30.39 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kb2 n SER 70 N -1.49 4.81 -4.89 1.08 7.64 -1.04 -4.97 113.62 114.75 2kb2 n SER 70 Ca -0.00 -2.57 -0.30 0.00 1.01 0.00 0.00 58.87 57.00 2kb2 n SER 70 Cb 0.04 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kb2 s ASP 71 N -0.98 6.52 0.00 6.43 1.01 0.16 -5.01 116.67 124.80 2kb2 s ASP 71 Ca 0.50 0.76 0.17 0.00 0.71 0.00 0.00 52.55 54.69 2kb2 s ASP 71 Cb 0.34 -2.16 0.50 0.00 1.01 0.00 0.00 42.92 42.60 2kb2 s ASP 71 CO 0.21 -0.09 1.40 -0.81 0.21 0.00 0.00 175.17 176.09 2kb2 n PRO 72 N -0.41 2.09 -0.01 8.23 -0.04 -1.26 -4.46 135.00 139.14 2kb2 n PRO 72 Ca -0.01 -1.68 -0.01 0.00 -0.04 0.00 0.00 63.50 61.76 2kb2 n PRO 72 Cb 0.53 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2kb2 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb2 h ARG 73 N 2.92 0.00 0.00 0.54 2.47 -1.94 -3.47 114.38 114.89 2kb2 h ARG 73 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kb2 h ARG 73 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2kb2 h ARG 73 CO 0.00 0.00 0.00 -2.39 0.56 0.00 0.00 179.97 178.14 2kb2 n HIS 74 N -2.64 0.00 0.18 3.04 1.44 -1.26 -3.23 115.22 112.76 2kb2 n HIS 74 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2kb2 n HIS 74 Cb 0.04 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.15 2kb2 n HIS 74 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2kb2 n ARG 75 N 0.00 0.00 -1.60 -1.40 1.85 -1.26 -4.63 116.66 109.61 2kb2 n ARG 75 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2kb2 n ARG 75 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 2kb2 n ARG 75 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kb2 n ASP 76 N -3.32 6.77 -4.76 2.89 2.03 -1.26 -4.88 116.55 114.02 2kb2 n ASP 76 Ca 0.00 -3.38 -0.41 0.00 0.52 0.00 0.00 54.79 51.52 2kb2 n ASP 76 Cb 0.00 -1.19 -0.02 0.00 -0.72 0.00 0.00 41.12 39.20 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb2 s VAL 77 N -3.04 2.57 -0.03 5.18 0.11 -1.26 -4.30 120.40 119.63 2kb2 s VAL 77 Ca 0.57 0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 60.14 2kb2 s VAL 77 Cb 0.40 -3.34 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 2kb2 s VAL 77 CO -0.27 0.11 0.07 -0.69 -3.33 0.00 0.00 175.10 170.99 2kb2 s VAL 78 N -0.74 -0.03 -0.31 2.04 1.01 -0.75 -4.93 120.40 116.69 2kb2 s VAL 78 Ca 0.53 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 2kb2 s VAL 78 Cb -0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2kb2 s VAL 78 CO 0.51 0.04 1.92 -0.70 0.00 0.00 0.00 175.10 176.88 2kb2 s GLU 79 N 0.60 3.24 -0.01 2.72 2.12 -1.26 -2.32 118.70 123.79 2kb2 s GLU 79 Ca -0.05 1.57 0.06 0.00 0.36 0.00 0.00 54.97 56.91 2kb2 s GLU 79 Cb -0.07 -4.26 -0.24 0.00 0.26 0.00 0.00 34.13 29.83 2kb2 s GLU 79 CO -0.02 -1.98 0.81 -0.07 -0.54 0.00 0.00 175.26 173.46 2kb2 h LEU 80 N 14.24 0.14 -8.21 2.70 4.07 0.11 -3.48 115.31 124.88 2kb2 h LEU 80 Ca -0.35 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.33 2kb2 h LEU 80 Cb 1.19 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.81 2kb2 h LEU 80 CO 1.02 1.20 -0.04 -0.32 -1.08 0.00 0.00 178.44 179.21 2kb2 s MET 81 N -2.62 1.66 0.00 1.13 1.75 0.15 -4.89 119.30 116.48 2kb2 s MET 81 Ca -0.06 -1.26 0.00 0.00 -1.25 0.00 0.00 55.69 53.12 2kb2 s MET 81 Cb 0.08 0.50 0.00 0.00 2.84 0.00 0.00 34.83 38.25 2kb2 s MET 81 CO 0.83 -0.71 0.00 -2.13 -0.65 0.00 0.00 175.02 172.36 2kb2 n ARG 82 N -0.42 0.00 -4.32 4.11 0.63 -0.87 -0.85 116.66 114.94 2kb2 n ARG 82 Ca -0.02 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.71 2kb2 n ARG 82 Cb 0.61 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.39 2kb2 n ARG 82 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kb2 s ASP 83 N 0.00 1.71 0.67 6.15 2.15 -0.92 -4.85 116.67 121.57 2kb2 s ASP 83 Ca 0.00 -0.50 -0.17 0.00 0.43 0.00 0.00 52.55 52.31 2kb2 s ASP 83 Cb 0.00 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 2kb2 s ASP 83 CO 0.00 0.01 1.25 -0.31 -0.17 0.00 0.00 175.17 175.95 2kb2 s TYR 84 N -0.94 2.12 0.34 -5.34 2.02 -1.26 0.98 117.35 115.27 2kb2 s TYR 84 Ca 0.01 1.53 -0.13 0.00 -0.37 0.00 0.00 57.07 58.11 2kb2 s TYR 84 Cb -0.08 -3.58 0.03 0.00 -0.40 0.00 0.00 41.96 37.93 2kb2 s TYR 84 CO 0.02 -2.68 0.67 -1.12 -1.57 0.00 0.00 175.55 170.86 2kb2 s SER 85 N -1.65 0.14 0.00 2.29 0.01 0.27 -4.75 113.70 110.01 2kb2 s SER 85 Ca 0.79 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2kb2 s SER 85 Cb -0.33 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2kb2 s SER 85 CO 0.40 -1.47 0.53 0.00 0.41 0.00 0.00 173.24 173.11 2kb2 n ALA 86 N -0.51 1.07 -2.53 1.44 0.00 -1.26 -1.14 120.51 117.59 2kb2 n ALA 86 Ca -0.05 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 2kb2 n ALA 86 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2kb2 n ALA 86 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kb2 s TYR 87 N -0.11 0.21 -0.31 0.00 1.13 -1.26 -4.98 117.35 112.04 2kb2 s TYR 87 Ca 0.00 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.06 2kb2 s TYR 87 Cb 0.00 -0.12 0.08 0.00 -1.10 0.00 0.00 41.96 40.81 2kb2 s TYR 87 CO 0.00 -0.48 -0.01 1.03 -2.51 0.00 0.00 175.55 173.59 2kb2 s ARG 88 N -3.54 1.96 0.42 -3.49 0.52 -1.26 -4.97 118.95 108.59 2kb2 s ARG 88 Ca 0.03 -1.58 0.11 0.00 -0.52 0.00 0.00 55.73 53.76 2kb2 s ARG 88 Cb 0.04 -3.11 0.94 0.00 0.52 0.00 0.00 34.95 33.33 2kb2 s ARG 88 CO -0.09 -0.76 2.00 0.00 0.02 0.00 0.00 175.30 176.47 2kb2 h ARG 89 N 7.77 0.49 -2.07 3.54 3.08 -1.97 -2.76 114.38 122.45 2kb2 h ARG 89 Ca -0.13 -0.03 -0.74 0.00 0.07 0.00 0.00 59.98 59.15 2kb2 h ARG 89 Cb 1.04 -0.11 -0.31 0.00 0.08 0.00 0.00 29.97 30.67 2kb2 h ARG 89 CO 0.51 0.32 0.64 1.19 -1.07 0.00 0.00 179.97 181.57 2kb2 n PHE 90 N -4.47 3.08 0.37 3.04 3.72 -1.26 -1.47 117.46 120.46 2kb2 n PHE 90 Ca 0.08 -2.71 0.03 0.00 -0.05 0.00 0.00 57.45 54.81 2kb2 n PHE 90 Cb 0.26 -0.98 0.19 0.00 -0.94 0.00 0.00 39.48 38.01 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2kb2 n HIS 91 N -0.31 0.00 0.16 1.38 -0.00 -1.04 -1.39 115.22 114.02 2kb2 n HIS 91 Ca 0.47 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.67 2kb2 n HIS 91 Cb 0.31 -0.18 0.01 0.00 -0.12 0.00 0.00 29.99 30.01 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kb2 n GLY 92 N -0.65 -0.81 3.04 1.57 0.00 -1.26 -4.96 105.19 102.12 2kb2 n GLY 92 Ca 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2kb2 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb2 s THR 93 N -0.49 -0.58 0.27 2.61 2.01 -0.49 -5.03 115.64 113.94 2kb2 s THR 93 Ca 0.04 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2kb2 s THR 93 Cb 0.03 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 2kb2 s THR 93 CO 0.06 -0.03 1.63 1.23 -0.69 0.00 0.00 174.62 176.83 2kb2 h GLY 94 N 8.20 0.26 -5.82 4.40 0.00 -1.81 -3.12 103.07 105.19 2kb2 h GLY 94 Ca -0.17 -0.28 0.10 0.00 0.00 0.00 0.00 47.33 46.98 2kb2 h GLY 94 CO 0.20 0.25 0.39 -0.29 0.00 0.00 0.00 176.54 177.10 2kb2 s MET 95 N -3.96 0.40 -0.27 4.80 1.75 -1.21 -0.25 119.30 120.57 2kb2 s MET 95 Ca -0.04 0.65 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 2kb2 s MET 95 Cb 0.13 0.10 0.16 0.00 2.84 0.00 0.00 34.83 38.06 2kb2 s MET 95 CO 0.78 -0.08 0.45 0.50 -0.65 0.00 0.00 175.02 176.02 2kb2 s ARG 96 N 1.14 0.43 0.94 4.11 3.00 -1.23 -4.43 118.95 122.91 2kb2 s ARG 96 Ca -0.07 0.47 -0.11 0.00 -1.00 0.00 0.00 55.73 55.03 2kb2 s ARG 96 Cb -0.04 -0.17 0.15 0.00 0.00 0.00 0.00 34.95 34.89 2kb2 s ARG 96 CO -0.14 -0.82 1.05 1.51 0.00 0.00 0.00 175.30 176.91 2kb2 n ILE 97 N 5.38 0.00 -3.59 4.11 0.00 -1.26 -1.78 119.36 122.22 2kb2 n ILE 97 Ca -0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 62.75 62.39 2kb2 n ILE 97 Cb 0.50 -0.96 -0.13 0.00 0.00 0.00 0.00 39.64 39.06 2kb2 n ILE 97 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2kb2 s LEU 98 N -6.03 1.71 -0.90 9.51 2.96 0.16 -4.73 118.68 121.35 2kb2 s LEU 98 Ca 0.66 -2.18 -0.26 0.00 -0.22 0.00 0.00 54.13 52.13 2kb2 s LEU 98 Cb -0.23 -0.68 -0.14 0.00 0.50 0.00 0.00 46.19 45.64 2kb2 s LEU 98 CO 0.60 -0.32 2.24 -0.62 -1.32 0.00 0.00 176.35 176.92 2kb2 s ASP 99 N 0.99 4.03 0.64 3.68 -1.08 -1.26 -2.02 116.67 121.65 2kb2 s ASP 99 Ca 0.16 -0.41 0.36 0.00 -0.52 0.00 0.00 52.55 52.14 2kb2 s ASP 99 Cb -0.22 -2.57 2.01 0.00 -1.46 0.00 0.00 42.92 40.69 2kb2 s ASP 99 CO -0.06 -3.88 2.20 -0.07 0.52 0.00 0.00 175.17 173.88 2kb2 h LEU 100 N 21.53 0.00 -1.35 -1.34 3.38 -0.66 0.99 115.31 137.86 2kb2 h LEU 100 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kb2 h LEU 100 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kb2 h LEU 100 CO 1.05 0.00 0.11 0.03 0.09 0.00 0.00 178.44 179.72 2kb2 h ARG 101 N 0.00 0.00 0.03 1.13 2.47 -1.84 -1.66 114.38 114.50 2kb2 h ARG 101 Ca 0.02 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.39 2kb2 h ARG 101 Cb 0.26 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.53 2kb2 h ARG 101 CO -0.00 0.00 -1.98 1.28 0.56 0.00 0.00 179.97 179.83 2kb2 n LEU 102 N -2.25 2.22 0.00 3.04 4.77 0.34 -5.01 117.00 120.11 2kb2 n LEU 102 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2kb2 n LEU 102 Cb 0.14 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2kb2 n LEU 102 CO 0.09 0.59 0.00 0.49 -1.33 0.00 0.00 177.39 177.23 2kb2 n PHE 103 N -4.00 0.00 -2.79 -1.77 3.72 -0.62 -5.07 117.46 106.92 2kb2 n PHE 103 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2kb2 n PHE 103 Cb 0.86 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 2kb2 n PHE 103 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kb2 n GLU 104 N 0.00 0.00 0.42 -1.08 0.28 -1.26 -4.85 120.64 114.15 2kb2 n GLU 104 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2kb2 n GLU 104 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kb2 h THR 105 N 0.00 0.07 0.00 3.84 2.02 -1.94 0.89 112.91 117.80 2kb2 h THR 105 Ca 0.00 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 2kb2 h THR 105 Cb 0.00 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2kb2 h THR 105 CO 0.00 0.01 -0.44 0.44 0.37 0.00 0.00 175.52 175.89 2kb2 h ASP 106 N -1.24 0.00 0.03 4.18 3.32 -1.98 -2.79 116.42 117.94 2kb2 h ASP 106 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2kb2 h ASP 106 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2kb2 h ASP 106 CO 0.18 0.44 -0.01 1.23 -1.72 0.00 0.00 179.24 179.36 2kb2 h GLY 107 N 3.11 -0.04 0.89 2.75 0.00 -1.93 -2.46 103.07 105.39 2kb2 h GLY 107 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2kb2 h GLY 107 CO 0.06 -0.02 0.08 0.00 0.00 0.00 0.00 176.54 176.66 2kb2 h ALA 108 N 0.33 0.27 -0.68 3.60 0.00 -0.90 -2.13 119.26 119.75 2kb2 h ALA 108 Ca -0.00 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2kb2 h ALA 108 Cb 0.55 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2kb2 h ALA 108 CO 0.01 -0.14 0.27 1.25 0.00 0.00 0.00 179.25 180.64 2kb2 h LEU 109 N 0.18 0.28 -1.63 0.00 5.85 -1.58 0.26 115.31 118.66 2kb2 h LEU 109 Ca 0.07 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2kb2 h LEU 109 Cb 0.17 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2kb2 h LEU 109 CO -0.01 0.14 0.29 -0.33 -0.34 0.00 0.00 178.44 178.19 2kb2 h GLU 110 N 0.45 0.48 0.53 1.25 5.08 -1.13 -2.58 114.58 118.65 2kb2 h GLU 110 Ca 0.35 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2kb2 h GLU 110 Cb 0.47 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kb2 h GLU 110 CO -0.34 0.31 -0.39 0.93 -1.00 0.00 0.00 179.01 178.53 2kb2 h GLU 111 N 0.49 -0.86 -0.39 2.33 4.39 0.17 0.14 114.58 120.85 2kb2 h GLU 111 Ca 0.17 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.98 2kb2 h GLU 111 Cb 0.08 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 2kb2 h GLU 111 CO -0.04 -0.57 -0.53 0.82 -1.16 0.00 0.00 179.01 177.52 2kb2 h ILE 112 N -0.89 0.02 -0.86 3.13 5.03 -1.10 0.46 117.51 123.30 2kb2 h ILE 112 Ca -0.06 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.79 2kb2 h ILE 112 Cb 0.75 0.02 -0.06 0.00 -3.03 0.00 0.00 36.82 34.50 2kb2 h ILE 112 CO 0.02 0.00 0.56 -0.07 -0.68 0.00 0.00 178.15 177.97 2kb2 h LEU 113 N -0.40 0.72 -0.89 1.44 4.07 -1.39 0.18 115.31 119.05 2kb2 h LEU 113 Ca 0.09 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.19 2kb2 h LEU 113 Cb 0.60 -0.12 -0.08 0.00 1.08 0.00 0.00 40.66 42.14 2kb2 h LEU 113 CO -0.58 0.41 0.52 0.08 -1.08 0.00 0.00 178.44 177.78 2kb2 h ARG 114 N 0.79 0.79 -0.19 1.13 -0.00 0.15 -1.87 114.38 115.17 2kb2 h ARG 114 Ca 0.41 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.98 60.31 2kb2 h ARG 114 Cb 0.50 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.97 30.28 2kb2 h ARG 114 CO -0.17 0.52 -0.03 1.97 -0.00 0.00 0.00 179.97 182.25 2kb2 n PHE 115 N -4.74 0.66 -4.07 4.08 1.16 -0.67 -5.00 117.46 108.88 2kb2 n PHE 115 Ca 0.16 -1.06 -0.23 0.00 -1.87 0.00 0.00 57.45 54.45 2kb2 n PHE 115 Cb 0.35 -0.30 -0.06 0.00 -1.61 0.00 0.00 39.48 37.86 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 s SER 116 N -2.36 4.72 -0.30 5.98 0.15 0.56 -4.73 113.70 117.72 2kb2 s SER 116 Ca 0.40 -0.77 0.18 0.00 0.70 0.00 0.00 55.95 56.46 2kb2 s SER 116 Cb 0.34 -0.73 0.48 0.00 -1.71 0.00 0.00 66.02 64.40 2kb2 s SER 116 CO 0.05 -0.32 1.08 0.35 1.20 0.00 0.00 173.24 175.60 2kb2 n THR 117 N -1.18 1.47 -1.54 6.45 -2.24 -0.54 -4.88 114.28 111.81 2kb2 n THR 117 Ca -0.03 -3.31 -0.22 0.00 -2.27 0.00 0.00 64.05 58.22 2kb2 n THR 117 Cb 0.61 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.30 2kb2 n THR 117 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kb2 n PHE 118 N -0.46 0.90 0.28 4.78 -1.74 -1.23 -4.74 117.46 115.25 2kb2 n PHE 118 Ca 0.16 0.05 0.16 0.00 -0.56 0.00 0.00 57.45 57.25 2kb2 n PHE 118 Cb 0.82 -2.13 0.79 0.00 1.52 0.00 0.00 39.48 40.48 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2kb2 h GLY 119 N 18.41 0.00 -1.29 4.97 0.00 -1.93 -3.44 103.07 119.80 2kb2 h GLY 119 Ca -0.04 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.78 2kb2 h GLY 119 CO 1.21 0.00 0.12 3.33 0.00 0.00 0.00 176.54 181.20 2kb2 n VAL 120 N -3.36 0.00 -3.14 4.60 0.24 -1.26 -4.95 118.33 110.45 2kb2 n VAL 120 Ca -0.01 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.34 61.80 2kb2 n VAL 120 Cb 0.24 -0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 31.57 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2kb2 s THR 121 N -2.58 5.01 0.46 3.34 -4.23 -1.26 -4.86 115.64 111.52 2kb2 s THR 121 Ca 0.67 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 62.25 2kb2 s THR 121 Cb -0.23 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.70 2kb2 s THR 121 CO 0.60 0.06 0.00 -0.62 -0.54 0.00 0.00 174.62 174.12 2kb2 n GLU 122 N 5.55 -3.46 0.00 3.99 -0.58 -1.26 -4.57 120.64 120.32 2kb2 n GLU 122 Ca -0.02 2.64 0.12 0.00 -0.42 0.00 0.00 57.16 59.48 2kb2 n GLU 122 Cb 0.49 -3.30 0.61 0.00 -0.57 0.00 0.00 31.44 28.67 2kb2 n GLU 122 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2kb2 n PRO 123 N -1.95 0.41 0.00 3.49 -0.02 -1.26 -4.16 135.00 131.52 2kb2 n PRO 123 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2kb2 n PRO 123 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kb2 n VAL 124 N -1.23 0.00 -1.35 -1.45 0.31 -1.26 -3.49 118.33 109.86 2kb2 n VAL 124 Ca 0.12 1.32 -0.43 0.00 -0.01 0.00 0.00 64.34 65.35 2kb2 n VAL 124 Cb 0.17 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 30.91 2kb2 n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kb2 n ASN 125 N -1.76 2.90 -3.28 4.52 0.23 -1.26 -4.70 115.26 111.92 2kb2 n ASN 125 Ca 0.00 -2.72 -0.07 0.00 -0.53 0.00 0.00 54.58 51.26 2kb2 n ASN 125 Cb 0.00 -1.28 -0.05 0.00 -2.08 0.00 0.00 39.78 36.37 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kb2 s ASP 126 N 4.60 0.04 0.41 0.53 2.15 -1.23 -5.00 116.67 118.18 2kb2 s ASP 126 Ca 0.55 -0.43 0.22 0.00 0.43 0.00 0.00 52.55 53.33 2kb2 s ASP 126 Cb 0.14 1.25 1.22 0.00 -0.30 0.00 0.00 42.92 45.22 2kb2 s ASP 126 CO 0.07 -0.33 1.72 0.03 -0.17 0.00 0.00 175.17 176.49 2kb2 h ARG 127 N 7.97 0.27 0.18 4.34 2.47 -1.90 0.18 114.38 127.89 2kb2 h ARG 127 Ca -0.05 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2kb2 h ARG 127 Cb 1.13 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2kb2 h ARG 127 CO 0.23 0.18 -0.09 1.98 0.56 0.00 0.00 179.97 182.83 2kb2 h MET 128 N 0.28 -0.24 -0.22 0.04 1.85 -1.95 -2.78 114.93 111.91 2kb2 h MET 128 Ca 0.68 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.82 2kb2 h MET 128 Cb 1.89 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.96 2kb2 h MET 128 CO -0.35 -0.03 0.15 0.35 -0.40 0.00 0.00 176.91 176.64 2kb2 h PHE 129 N -0.41 0.13 -1.01 1.39 3.57 -0.99 0.37 116.94 119.99 2kb2 h PHE 129 Ca -0.03 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.60 2kb2 h PHE 129 Cb 0.32 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 2kb2 h PHE 129 CO -0.02 0.07 0.63 0.00 -2.23 0.00 0.00 178.31 176.77 2kb2 h ARG 130 N 0.13 0.96 0.00 1.11 2.47 -0.94 0.66 114.38 118.76 2kb2 h ARG 130 Ca 0.10 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2kb2 h ARG 130 Cb 0.23 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2kb2 h ARG 130 CO -0.01 0.63 -0.26 -0.07 0.56 0.00 0.00 179.97 180.82 2kb2 h LEU 131 N 0.99 0.00 -0.68 3.04 3.38 -1.18 -3.06 115.31 117.79 2kb2 h LEU 131 Ca 0.50 -0.84 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2kb2 h LEU 131 Cb 0.52 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 2kb2 h LEU 131 CO -0.27 1.07 -0.51 0.25 0.09 0.00 0.00 178.44 179.07 2kb2 h LEU 132 N -1.00 -1.78 -1.25 1.67 5.85 -0.62 0.34 115.31 118.51 2kb2 h LEU 132 Ca -0.07 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2kb2 h LEU 132 Cb 1.01 0.79 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 2kb2 h LEU 132 CO -0.04 -0.32 -0.06 0.77 -0.34 0.00 0.00 178.44 178.45 2kb2 h SER 133 N -0.19 0.00 0.75 1.25 4.64 -1.05 -1.29 113.55 117.65 2kb2 h SER 133 Ca 0.16 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.32 2kb2 h SER 133 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 2kb2 h SER 133 CO -0.76 0.06 -0.74 0.00 -0.87 0.00 0.00 176.83 174.52 2kb2 h ALA 134 N 1.94 0.78 0.06 5.18 0.00 -0.39 0.17 119.26 127.00 2kb2 h ALA 134 Ca -0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 54.91 53.96 2kb2 h ALA 134 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2kb2 h ALA 134 CO 0.01 0.92 -1.42 0.35 0.00 0.00 0.00 179.25 179.12 2kb2 h PHE 135 N 0.00 0.23 -0.09 0.00 3.57 -0.30 0.18 116.94 120.53 2kb2 h PHE 135 Ca -0.01 -0.17 -0.13 0.00 3.53 0.00 0.00 57.97 61.19 2kb2 h PHE 135 Cb 1.31 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2kb2 h PHE 135 CO 0.00 1.20 -0.53 0.82 -2.23 0.00 0.00 178.31 177.57 2kb2 h ILE 136 N 0.03 1.36 0.00 1.41 5.03 -1.17 0.18 117.51 124.35 2kb2 h ILE 136 Ca -0.19 -1.81 -0.03 0.00 -0.12 0.00 0.00 64.86 62.72 2kb2 h ILE 136 Cb 1.95 1.88 -0.00 0.00 -3.03 0.00 0.00 36.82 37.61 2kb2 h ILE 136 CO 0.14 0.54 -0.45 0.00 -0.68 0.00 0.00 178.15 177.69 2kb2 h ALA 137 N 1.25 0.03 0.00 1.87 0.00 -0.70 -3.33 119.26 118.38 2kb2 h ALA 137 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 2kb2 h ALA 137 Cb 1.00 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2kb2 h ALA 137 CO 0.08 0.38 -2.25 -0.25 0.00 0.00 0.00 179.25 177.21 2kb2 n ASP 138 N -4.64 0.03 0.28 0.00 9.92 0.58 -3.30 116.55 119.42 2kb2 n ASP 138 Ca -0.09 0.01 0.13 0.00 -0.53 0.00 0.00 54.79 54.32 2kb2 n ASP 138 Cb 0.26 1.25 0.82 0.00 -0.64 0.00 0.00 41.12 42.81 2kb2 n ASP 138 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2kb2 h GLY 139 N 3.99 0.00 0.00 0.44 0.00 0.05 -3.03 103.07 104.52 2kb2 h GLY 139 Ca -0.38 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.74 2kb2 h GLY 139 CO 0.02 0.00 -1.85 0.61 0.00 0.00 0.00 176.54 175.32 2kb2 n GLY 140 N -1.08 -0.63 2.71 4.60 0.00 -0.75 -4.81 105.19 105.23 2kb2 n GLY 140 Ca -0.03 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb2 s ARG 141 N -2.39 0.69 0.00 1.61 1.81 -1.15 -5.05 118.95 114.48 2kb2 s ARG 141 Ca -0.06 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 2kb2 s ARG 141 Cb 0.04 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.62 2kb2 s ARG 141 CO 0.53 -1.00 0.28 0.66 -0.68 0.00 0.00 175.30 175.09 2kb2 n TYR 142 N 4.81 0.00 -0.86 -0.53 4.02 -1.22 -4.15 117.16 119.22 2kb2 n TYR 142 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2kb2 n TYR 142 Cb 0.42 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kb2 n LEU 144 N 0.00 -0.81 -4.80 0.00 7.99 -1.26 -4.86 117.00 113.26 2kb2 n LEU 144 Ca 0.00 1.78 -0.37 0.00 -0.01 0.00 0.00 56.01 57.41 2kb2 n LEU 144 Cb 0.23 -2.64 -0.06 0.00 -0.11 0.00 0.00 43.42 40.84 2kb2 n LEU 144 CO 0.00 -1.38 0.47 -2.16 -1.51 0.00 0.00 177.39 172.81 2kb2 s PRO 145 N -4.63 4.40 -0.37 3.23 0.04 -1.26 -5.06 135.00 131.35 2kb2 s PRO 145 Ca 0.00 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2kb2 s PRO 145 Cb 0.00 -3.00 0.11 0.00 0.04 0.00 0.00 34.50 31.65 2kb2 s PRO 145 CO 0.00 0.44 0.11 -2.00 0.04 0.00 0.00 177.00 175.59 2kb2 s GLU 146 N -1.70 1.66 -0.54 4.56 2.12 -1.26 -5.07 118.70 118.46 2kb2 s GLU 146 Ca 0.41 -1.91 -0.28 0.00 0.36 0.00 0.00 54.97 53.56 2kb2 s GLU 146 Cb -0.19 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.88 2kb2 s GLU 146 CO 0.23 -0.99 1.56 -2.14 -0.54 0.00 0.00 175.26 173.38 2kb2 s PRO 147 N 0.90 3.16 0.00 4.30 0.02 -1.26 -5.33 135.00 136.78 2kb2 s PRO 147 Ca 0.11 0.61 0.29 0.00 0.02 0.00 0.00 61.00 62.03 2kb2 s PRO 147 Cb -0.20 -4.19 1.75 0.00 0.02 0.00 0.00 34.50 31.87 2kb2 s PRO 147 CO -0.07 -2.10 2.08 -0.11 -0.33 0.00 0.00 177.00 176.48