#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 3.34 0.02 1.61 2.02 -1.26 -4.98 118.70 119.46 2kb2 s GLU 2 Ca 0.00 1.37 0.07 0.00 0.02 0.00 0.00 54.97 56.43 2kb2 s GLU 2 Cb 0.00 -4.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.01 2kb2 s GLU 2 CO 0.00 -1.85 -0.19 0.12 0.02 0.00 0.00 175.26 173.36 2kb2 s PHE 3 N 6.80 2.54 0.69 1.61 5.36 -1.26 -5.11 117.98 128.61 2kb2 s PHE 3 Ca 0.78 -0.27 -0.17 0.00 -0.96 0.00 0.00 56.93 56.31 2kb2 s PHE 3 Cb -0.21 -1.48 -0.02 0.00 -0.34 0.00 0.00 43.02 40.96 2kb2 s PHE 3 CO 0.33 0.21 0.84 0.00 -1.46 0.00 0.00 175.22 175.14 2kb2 n MET 4 N 1.75 0.54 -0.43 10.12 0.00 -1.26 -4.96 117.12 122.88 2kb2 n MET 4 Ca -0.16 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.77 2kb2 n MET 4 Cb 0.52 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 31.65 2kb2 n MET 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kb2 n LEU 5 N -1.05 0.00 -3.51 3.17 4.77 0.18 -4.66 117.00 115.90 2kb2 n LEU 5 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 2kb2 n LEU 5 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2kb2 n LEU 5 CO 0.49 -0.28 0.33 -0.89 -1.33 0.00 0.00 177.39 175.72 2kb2 s THR 6 N 1.00 0.02 -0.38 -5.08 2.01 0.16 -0.58 115.64 112.80 2kb2 s THR 6 Ca 0.00 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.87 2kb2 s THR 6 Cb 0.00 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.61 2kb2 s THR 6 CO 0.00 -0.09 0.12 -0.89 -0.69 0.00 0.00 174.62 173.08 2kb2 s THR 7 N -2.97 1.87 -0.22 -0.82 2.01 0.19 0.80 115.64 116.51 2kb2 s THR 7 Ca -0.02 -2.31 -0.20 0.00 0.31 0.00 0.00 61.69 59.46 2kb2 s THR 7 Cb -0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 2kb2 s THR 7 CO -0.06 -0.69 0.59 -0.22 -0.69 0.00 0.00 174.62 173.55 2kb2 s LEU 8 N 0.80 4.12 -0.04 4.42 1.98 0.80 -2.43 118.68 128.32 2kb2 s LEU 8 Ca 0.13 0.74 0.05 0.00 -2.89 0.00 0.00 54.13 52.15 2kb2 s LEU 8 Cb -0.20 -2.82 -0.01 0.00 0.66 0.00 0.00 46.19 43.82 2kb2 s LEU 8 CO -0.10 -0.27 -0.18 -0.63 -1.89 0.00 0.00 176.35 173.27 2kb2 s ILE 9 N 2.01 1.53 0.22 6.68 1.01 -0.67 -0.24 121.20 131.74 2kb2 s ILE 9 Ca 0.26 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2kb2 s ILE 9 Cb -0.16 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2kb2 s ILE 9 CO 0.10 0.44 0.18 -0.72 0.00 0.00 0.00 174.94 174.93 2kb2 s TYR 10 N -0.03 1.12 -0.09 3.97 -0.85 -0.63 0.86 117.35 121.69 2kb2 s TYR 10 Ca -0.03 -1.34 -0.05 0.00 -0.52 0.00 0.00 57.07 55.14 2kb2 s TYR 10 Cb -0.11 -0.49 0.04 0.00 0.38 0.00 0.00 41.96 41.77 2kb2 s TYR 10 CO 0.02 -0.70 0.22 -0.98 -1.52 0.00 0.00 175.55 172.59 2kb2 s ARG 11 N -4.08 0.19 0.00 -3.49 1.70 -0.92 -0.68 118.95 111.68 2kb2 s ARG 11 Ca 0.37 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 56.08 2kb2 s ARG 11 Cb 0.06 -0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 2kb2 s ARG 11 CO 0.13 -0.14 0.00 -1.13 -1.08 0.00 0.00 175.30 173.08 2kb2 n SER 12 N 3.96 1.65 0.00 -2.89 3.41 0.46 -1.24 113.62 118.97 2kb2 n SER 12 Ca -0.23 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2kb2 n SER 12 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.73 -3.93 4.33 6.02 0.25 -2.03 117.38 122.75 2kb2 n GLN 13 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2kb2 n GLN 13 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 2kb2 n GLN 13 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kb2 s VAL 14 N 3.87 0.00 -0.66 5.09 0.11 0.68 -3.34 120.40 126.14 2kb2 s VAL 14 Ca 0.00 -0.47 -0.16 0.00 -2.93 0.00 0.00 61.98 58.42 2kb2 s VAL 14 Cb 0.00 -3.00 0.15 0.00 -1.53 0.00 0.00 36.38 32.00 2kb2 s VAL 14 CO 0.00 0.00 0.67 -1.00 -3.33 0.00 0.00 175.10 171.44 2kb2 s HIS 15 N -2.04 3.33 0.28 1.54 3.76 -1.25 -4.68 115.29 116.24 2kb2 s HIS 15 Ca 0.25 -1.43 0.32 0.00 -0.15 0.00 0.00 55.06 54.05 2kb2 s HIS 15 Cb -0.02 -3.89 1.75 0.00 1.11 0.00 0.00 32.58 31.53 2kb2 s HIS 15 CO 0.04 -1.11 1.98 -1.00 -0.85 0.00 0.00 174.74 173.80 2kb2 h PRO 16 N 8.63 0.00 0.05 8.40 0.13 -1.93 0.19 132.00 147.46 2kb2 h PRO 16 Ca -0.15 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.69 2kb2 h PRO 16 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2kb2 h PRO 16 CO 0.97 0.00 -1.59 0.22 -0.23 0.00 0.00 178.00 177.37 2kb2 h ASP 17 N 0.00 0.17 -4.39 1.44 1.82 -2.01 -3.47 116.42 109.98 2kb2 h ASP 17 Ca 0.00 -0.29 -0.47 0.00 -0.39 0.00 0.00 57.03 55.88 2kb2 h ASP 17 Cb 0.11 -0.06 0.09 0.00 0.68 0.00 0.00 39.33 40.15 2kb2 h ASP 17 CO 0.00 1.25 0.37 -0.13 -1.61 0.00 0.00 179.24 179.12 2kb2 s ARG 18 N -2.61 2.26 0.96 0.28 0.52 0.05 -5.09 118.95 115.32 2kb2 s ARG 18 Ca -0.07 0.12 -0.15 0.00 -0.52 0.00 0.00 55.73 55.10 2kb2 s ARG 18 Cb 0.08 -2.02 0.21 0.00 0.52 0.00 0.00 34.95 33.73 2kb2 s ARG 18 CO 0.83 -1.36 1.32 -1.25 0.02 0.00 0.00 175.30 174.85 2kb2 s PRO 19 N -5.44 0.57 0.98 3.54 0.05 -1.26 -4.90 135.00 128.53 2kb2 s PRO 19 Ca 0.60 -0.52 -0.14 0.00 0.05 0.00 0.00 61.00 60.99 2kb2 s PRO 19 Cb -0.11 -1.87 0.02 0.00 0.05 0.00 0.00 34.50 32.59 2kb2 s PRO 19 CO 0.49 -2.44 0.17 -2.30 0.05 0.00 0.00 177.00 172.97 2kb2 n PRO 20 N -3.75 -0.41 -3.50 0.56 -0.02 -1.26 -4.97 135.00 121.64 2kb2 n PRO 20 Ca 0.16 -0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 2kb2 n PRO 20 Cb 0.59 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 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 5.08 -1.40 -1.45 1.01 -1.26 -4.98 120.40 115.07 2kb2 s VAL 21 Ca 0.54 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 2kb2 s VAL 21 Cb -0.19 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2kb2 s VAL 21 CO 0.69 -0.17 2.68 0.47 0.00 0.00 0.00 175.10 178.78 2kb2 n ASP 22 N -0.51 8.27 0.00 3.32 8.00 -1.26 -4.73 116.55 129.63 2kb2 n ASP 22 Ca -0.02 -2.88 0.00 0.00 0.71 0.00 0.00 54.79 52.60 2kb2 n ASP 22 Cb 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb2 n LEU 23 N 2.52 0.00 -0.12 0.64 4.77 -1.26 0.14 117.00 123.69 2kb2 n LEU 23 Ca 0.69 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.46 2kb2 n LEU 23 Cb 0.26 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2kb2 n LEU 23 CO 0.74 0.00 -1.31 0.47 -1.33 0.00 0.00 177.39 175.95 2kb2 n ASP 24 N -0.69 2.01 0.05 -1.43 9.92 -1.26 -4.23 116.55 120.93 2kb2 n ASP 24 Ca 0.00 0.05 -0.03 0.00 -0.53 0.00 0.00 54.79 54.27 2kb2 n ASP 24 Cb 0.00 -0.52 -0.08 0.00 -0.64 0.00 0.00 41.12 39.88 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kb2 h ALA 25 N -0.36 0.61 -0.52 2.24 0.00 -0.45 -2.60 119.26 118.17 2kb2 h ALA 25 Ca -0.58 -0.92 -0.07 0.00 0.00 0.00 0.00 54.91 53.35 2kb2 h ALA 25 Cb 1.72 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2kb2 h ALA 25 CO -0.21 1.09 0.07 1.25 0.00 0.00 0.00 179.25 181.45 2kb2 h LEU 26 N 0.00 0.84 0.16 0.00 6.46 0.10 -2.87 115.31 120.00 2kb2 h LEU 26 Ca -0.11 -0.27 -0.32 0.00 -0.12 0.00 0.00 57.88 57.05 2kb2 h LEU 26 Cb 1.68 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.40 2kb2 h LEU 26 CO 0.08 0.90 -1.62 1.62 -0.62 0.00 0.00 178.44 178.79 2kb2 h VAL 27 N 0.75 0.96 -0.32 1.05 3.04 -1.74 -3.35 116.25 116.65 2kb2 h VAL 27 Ca 0.16 -2.46 0.06 0.00 -1.01 0.00 0.00 66.70 63.45 2kb2 h VAL 27 Cb 0.42 2.74 -0.08 0.00 -2.01 0.00 0.00 31.29 32.36 2kb2 h VAL 27 CO 0.01 0.80 -0.41 -0.74 -1.01 0.00 0.00 177.57 176.23 2kb2 h HIS 28 N -0.06 -1.17 -0.08 3.17 -0.00 -1.49 0.22 115.15 115.75 2kb2 h HIS 28 Ca -0.33 0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.12 2kb2 h HIS 28 Cb 1.96 0.56 -0.00 0.00 -0.00 0.00 0.00 27.41 29.93 2kb2 h HIS 28 CO 0.11 -0.44 0.10 0.00 -0.00 0.00 0.00 177.93 177.70 2kb2 h ARG 29 N -0.36 0.00 0.03 5.26 -0.00 -1.69 -2.57 114.38 115.04 2kb2 h ARG 29 Ca 0.12 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.60 2kb2 h ARG 29 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.56 2kb2 h ARG 29 CO -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 179.97 179.44 2kb2 h ALA 30 N 1.88 -0.04 -1.00 0.04 0.00 -0.79 -3.27 119.26 116.08 2kb2 h ALA 30 Ca 0.04 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.21 2kb2 h ALA 30 Cb 0.23 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2kb2 h ALA 30 CO -0.00 -0.03 0.69 1.03 0.00 0.00 0.00 179.25 180.94 2kb2 h SER 31 N -0.99 0.16 0.23 0.00 0.87 -0.88 0.33 113.55 113.27 2kb2 h SER 31 Ca -0.00 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 2kb2 h SER 31 Cb 0.03 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2kb2 h SER 31 CO 0.01 0.04 -0.44 -1.28 -0.53 0.00 0.00 176.83 174.63 2kb2 h SER 32 N 0.15 0.28 0.16 6.23 0.87 -1.59 -1.32 113.55 118.33 2kb2 h SER 32 Ca 0.50 -0.13 -0.33 0.00 -1.23 0.00 0.00 61.79 60.61 2kb2 h SER 32 Cb 1.72 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 2kb2 h SER 32 CO -0.09 0.69 -1.64 0.50 -0.53 0.00 0.00 176.83 175.76 2kb2 h LYS 33 N 0.22 0.34 -0.43 2.24 3.11 -0.52 -3.38 116.57 118.15 2kb2 h LYS 33 Ca 0.02 -0.58 -0.11 0.00 -2.81 0.00 0.00 60.65 57.17 2kb2 h LYS 33 Cb 0.87 0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 2kb2 h LYS 33 CO 0.07 1.28 -0.17 -0.91 -2.81 0.00 0.00 179.45 176.91 2kb2 h ASN 34 N -0.04 0.81 0.14 4.20 4.21 -0.90 -2.77 115.58 121.23 2kb2 h ASN 34 Ca -0.33 -0.27 0.01 0.00 1.21 0.00 0.00 56.30 56.92 2kb2 h ASN 34 Cb 1.98 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 38.91 2kb2 h ASN 34 CO 0.13 0.98 -0.50 0.25 -1.29 0.00 0.00 177.43 177.00 2kb2 h LEU 35 N 0.72 -1.49 -1.53 1.61 5.85 -1.34 0.29 115.31 119.42 2kb2 h LEU 35 Ca 0.11 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2kb2 h LEU 35 Cb 0.67 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2kb2 h LEU 35 CO 0.05 -0.53 -0.23 1.55 -0.34 0.00 0.00 178.44 178.93 2kb2 h PRO 36 N -0.72 0.00 0.00 5.25 0.13 -1.73 -2.23 132.00 132.69 2kb2 h PRO 36 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2kb2 h PRO 36 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2kb2 h PRO 36 CO -0.26 0.23 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.49 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.06 -3.46 115.31 116.42 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 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2kb2 h LEU 37 CO 0.03 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.18 2kb2 n GLY 38 N 0.33 0.70 3.82 0.83 0.00 0.47 -4.97 105.19 106.36 2kb2 n GLY 38 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 4.59 0.07 -0.61 1.01 0.72 -4.63 121.20 120.18 2kb2 s ILE 39 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 60.65 61.90 2kb2 s ILE 39 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2kb2 s ILE 39 CO 0.00 0.21 -0.05 0.42 0.00 0.00 0.00 174.94 175.52 2kb2 s THR 40 N -1.52 0.46 -4.42 2.92 -4.23 -0.89 -3.84 115.64 104.12 2kb2 s THR 40 Ca 0.43 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2kb2 s THR 40 Cb -0.16 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.24 2kb2 s THR 40 CO 0.21 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 2kb2 n GLY 41 N 0.25 -0.87 3.29 3.99 0.00 0.61 0.91 105.19 113.38 2kb2 n GLY 41 Ca -0.15 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 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 0.07 0.32 -0.61 2.07 -0.49 -3.44 121.20 116.12 2kb2 s ILE 42 Ca 0.00 -0.62 0.09 0.00 -1.41 0.00 0.00 60.65 58.72 2kb2 s ILE 42 Cb 0.00 -1.05 -0.06 0.00 0.13 0.00 0.00 42.46 41.48 2kb2 s ILE 42 CO 0.00 -0.34 -0.11 -0.76 -1.91 0.00 0.00 174.94 171.82 2kb2 s LEU 43 N -2.35 2.66 0.03 8.50 1.43 -0.46 -0.58 118.68 127.90 2kb2 s LEU 43 Ca -0.02 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.88 2kb2 s LEU 43 Cb 0.01 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2kb2 s LEU 43 CO -0.06 -0.19 0.06 -0.76 0.23 0.00 0.00 176.35 175.63 2kb2 s LEU 44 N -3.56 1.93 -0.14 1.79 1.02 0.19 0.96 118.68 120.87 2kb2 s LEU 44 Ca 0.31 -0.52 -0.08 0.00 0.02 0.00 0.00 54.13 53.86 2kb2 s LEU 44 Cb 0.01 0.46 0.05 0.00 0.02 0.00 0.00 46.19 46.74 2kb2 s LEU 44 CO 0.15 -0.45 0.35 0.12 0.02 0.00 0.00 176.35 176.54 2kb2 s PHE 45 N -2.28 -0.47 0.00 0.29 5.36 -0.66 -2.05 117.98 118.17 2kb2 s PHE 45 Ca -0.08 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 2kb2 s PHE 45 Cb -0.03 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 2kb2 s PHE 45 CO -0.03 -0.28 0.85 0.27 -1.46 0.00 0.00 175.22 174.57 2kb2 n ASN 46 N 4.00 1.63 0.00 6.13 0.23 -1.13 0.73 115.26 126.85 2kb2 n ASN 46 Ca -0.22 -1.72 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 2kb2 n ASN 46 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 -0.36 0.53 0.00 4.83 0.00 -1.26 -4.74 105.19 104.19 2kb2 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.34 0.99 -0.00 -1.26 -4.95 117.00 107.44 2kb2 n LEU 48 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.74 2kb2 n LEU 48 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2kb2 n LEU 48 CO 0.00 0.00 -0.55 -1.10 -0.00 0.00 0.00 177.39 175.74 2kb2 s GLN 49 N -1.00 1.30 -0.29 1.96 -0.21 -1.26 -0.23 119.66 119.93 2kb2 s GLN 49 Ca 0.00 -1.25 -0.03 0.00 0.02 0.00 0.00 55.36 54.10 2kb2 s GLN 49 Cb 0.00 -1.68 0.04 0.00 1.00 0.00 0.00 33.01 32.37 2kb2 s GLN 49 CO 0.00 0.40 0.01 -0.06 -2.12 0.00 0.00 175.29 173.52 2kb2 s PHE 50 N -1.08 3.19 -0.17 0.91 0.08 -0.86 -2.84 117.98 117.21 2kb2 s PHE 50 Ca 0.11 -1.58 -0.07 0.00 0.12 0.00 0.00 56.93 55.50 2kb2 s PHE 50 Cb -0.10 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 2kb2 s PHE 50 CO 0.05 -0.74 0.08 0.12 -0.10 0.00 0.00 175.22 174.64 2kb2 s PHE 51 N 1.33 3.34 -0.06 0.36 5.36 -0.87 -0.40 117.98 127.04 2kb2 s PHE 51 Ca -0.02 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2kb2 s PHE 51 Cb -0.18 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2kb2 s PHE 51 CO -0.01 0.32 -0.06 -1.14 -1.46 0.00 0.00 175.22 172.87 2kb2 s GLN 52 N -0.01 1.05 -0.51 10.12 0.74 0.15 0.52 119.66 131.73 2kb2 s GLN 52 Ca 0.07 -0.16 -0.17 0.00 0.05 0.00 0.00 55.36 55.15 2kb2 s GLN 52 Cb -0.12 -1.04 0.08 0.00 1.10 0.00 0.00 33.01 33.04 2kb2 s GLN 52 CO 0.00 -0.10 0.50 0.08 -0.55 0.00 0.00 175.29 175.23 2kb2 s VAL 53 N 1.03 5.11 -0.09 1.34 1.01 0.25 -1.60 120.40 127.45 2kb2 s VAL 53 Ca -0.09 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2kb2 s VAL 53 Cb -0.14 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2kb2 s VAL 53 CO -0.00 -0.75 -0.01 -0.22 0.00 0.00 0.00 175.10 174.12 2kb2 s LEU 54 N 1.95 3.53 0.15 3.92 2.96 0.67 -1.40 118.68 130.45 2kb2 s LEU 54 Ca 0.07 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 2kb2 s LEU 54 Cb -0.24 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2kb2 s LEU 54 CO 0.07 0.36 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.70 2kb2 s GLU 55 N -0.79 1.15 0.00 1.98 2.02 0.26 -0.14 118.70 123.18 2kb2 s GLU 55 Ca 0.12 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2kb2 s GLU 55 Cb -0.11 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 33.06 2kb2 s GLU 55 CO 0.02 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2kb2 n GLY 56 N 0.29 1.72 3.66 -1.39 0.00 0.24 -2.08 105.19 107.63 2kb2 n GLY 56 Ca -0.13 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.63 2.67 -0.11 2.61 -2.24 -1.26 0.40 114.28 114.73 2kb2 n THR 57 Ca 0.00 -0.50 0.22 0.00 -2.27 0.00 0.00 64.05 61.50 2kb2 n THR 57 Cb 0.00 -1.39 0.65 0.00 -2.10 0.00 0.00 70.33 67.49 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 1.73 0.11 -0.24 -0.78 4.57 -1.86 0.25 114.58 118.37 2kb2 h GLU 58 Ca -0.47 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.62 2kb2 h GLU 58 Cb 1.32 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2kb2 h GLU 58 CO 0.58 0.08 -0.24 1.05 -1.18 0.00 0.00 179.01 179.29 2kb2 h GLU 59 N 0.12 0.44 0.20 1.92 4.11 -1.99 -0.51 114.58 118.87 2kb2 h GLU 59 Ca 0.35 -0.16 -0.31 0.00 0.07 0.00 0.00 59.36 59.31 2kb2 h GLU 59 Cb 1.21 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.46 2kb2 h GLU 59 CO -0.04 0.66 -1.33 0.00 0.07 0.00 0.00 179.01 178.36 2kb2 h ALA 60 N 1.35 -0.10 -0.31 1.06 0.00 -0.92 -3.15 119.26 117.19 2kb2 h ALA 60 Ca 0.06 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 2kb2 h ALA 60 Cb 0.64 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kb2 h ALA 60 CO 0.05 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.87 2kb2 h LEU 61 N 0.14 0.54 0.55 0.00 3.38 -1.00 -0.58 115.31 118.34 2kb2 h LEU 61 Ca -0.22 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2kb2 h LEU 61 Cb 2.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2kb2 h LEU 61 CO 0.25 0.72 -0.44 -0.08 0.09 0.00 0.00 178.44 178.98 2kb2 h GLU 62 N 0.34 -0.93 -0.30 1.13 4.81 -1.21 0.22 114.58 118.64 2kb2 h GLU 62 Ca 0.09 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2kb2 h GLU 62 Cb 0.45 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2kb2 h GLU 62 CO 0.02 -0.62 0.13 0.77 -0.73 0.00 0.00 179.01 178.57 2kb2 h SER 63 N -0.97 0.17 0.71 1.04 0.02 -1.58 0.48 113.55 113.42 2kb2 h SER 63 Ca -0.06 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2kb2 h SER 63 Cb 0.82 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2kb2 h SER 63 CO -0.00 0.14 -0.34 0.25 -1.14 0.00 0.00 176.83 175.73 2kb2 h LEU 64 N 0.28 -0.81 -1.85 5.07 7.12 -1.00 -0.60 115.31 123.52 2kb2 h LEU 64 Ca 0.13 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.32 2kb2 h LEU 64 Cb 0.07 0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.37 2kb2 h LEU 64 CO -0.11 -0.49 0.50 0.15 -0.13 0.00 0.00 178.44 178.35 2kb2 h PHE 65 N -1.10 0.17 0.00 1.25 3.57 -0.53 0.64 116.94 120.94 2kb2 h PHE 65 Ca -0.10 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 2kb2 h PHE 65 Cb 0.76 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2kb2 h PHE 65 CO -0.01 0.06 -0.42 1.03 -2.23 0.00 0.00 178.31 176.75 2kb2 h SER 66 N 0.14 0.00 0.75 0.41 0.87 -0.43 -2.71 113.55 112.57 2kb2 h SER 66 Ca 0.34 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.74 2kb2 h SER 66 Cb 1.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2kb2 h SER 66 CO -0.05 0.42 -0.78 -0.33 -0.53 0.00 0.00 176.83 175.55 2kb2 h GLU 67 N 0.00 0.03 0.06 2.24 4.39 0.18 -3.14 114.58 118.34 2kb2 h GLU 67 Ca -0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kb2 h GLU 67 Cb 1.05 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2kb2 h GLU 67 CO 0.05 0.80 -0.03 0.82 -1.16 0.00 0.00 179.01 179.49 2kb2 h ILE 68 N 0.02 1.07 0.00 3.13 5.03 -0.90 -2.29 117.51 123.57 2kb2 h ILE 68 Ca -0.01 -0.43 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 2kb2 h ILE 68 Cb 1.38 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 36.52 2kb2 h ILE 68 CO 0.10 0.11 0.00 0.00 -0.68 0.00 0.00 178.15 177.68 2kb2 n GLN 69 N -5.04 0.02 -0.34 2.37 6.02 -1.08 -1.22 117.38 118.11 2kb2 n GLN 69 Ca -0.08 0.32 0.10 0.00 -0.01 0.00 0.00 57.00 57.33 2kb2 n GLN 69 Cb 0.14 -1.53 0.29 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.56 3.49 -4.88 1.08 7.64 -0.87 -4.94 113.62 113.58 2kb2 n SER 70 Ca 0.03 -2.03 -0.32 0.00 1.01 0.00 0.00 58.87 57.56 2kb2 n SER 70 Cb 0.14 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.99 6.60 -0.02 6.43 1.01 -0.35 -5.02 116.67 124.33 2kb2 s ASP 71 Ca 0.43 0.89 0.01 0.00 0.71 0.00 0.00 52.55 54.59 2kb2 s ASP 71 Cb 0.23 -2.21 -0.26 0.00 1.01 0.00 0.00 42.92 41.69 2kb2 s ASP 71 CO 0.28 -0.08 0.78 1.55 0.21 0.00 0.00 175.17 177.91 2kb2 h PRO 72 N 2.46 0.17 0.00 8.23 0.13 -1.92 -3.43 132.00 137.64 2kb2 h PRO 72 Ca -0.47 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2kb2 h PRO 72 Cb 1.17 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kb2 h PRO 72 CO 0.69 0.96 0.00 -2.13 -0.23 0.00 0.00 178.00 177.29 2kb2 n ARG 73 N -3.34 0.00 -0.41 0.86 0.63 -1.26 -4.80 116.66 108.34 2kb2 n ARG 73 Ca -0.17 0.04 -0.18 0.00 -0.92 0.00 0.00 57.85 56.62 2kb2 n ARG 73 Cb 1.04 -0.66 0.16 0.00 0.45 0.00 0.00 32.46 33.44 2kb2 n ARG 73 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2kb2 n HIS 74 N -0.21 -3.32 -3.75 -0.14 1.44 -1.26 -3.76 115.22 104.22 2kb2 n HIS 74 Ca 0.00 -0.53 -0.06 0.00 -2.01 0.00 0.00 57.72 55.12 2kb2 n HIS 74 Cb 0.00 -0.69 0.02 0.00 0.12 0.00 0.00 29.99 29.44 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 -3.78 0.86 -2.64 -1.40 1.85 -1.25 -4.76 116.66 105.53 2kb2 n ARG 75 Ca 0.08 -1.74 -0.07 0.00 -1.00 0.00 0.00 57.85 55.12 2kb2 n ARG 75 Cb 0.35 2.23 -0.01 0.00 -1.05 0.00 0.00 32.46 33.98 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 -1.38 -1.98 -4.75 2.89 2.03 -1.26 0.87 116.55 112.97 2kb2 n ASP 76 Ca -0.06 0.27 -0.41 0.00 0.52 0.00 0.00 54.79 55.11 2kb2 n ASP 76 Cb 0.52 -1.77 -0.02 0.00 -0.72 0.00 0.00 41.12 39.13 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 -2.29 2.27 -0.01 5.18 0.11 -1.26 -4.50 120.40 119.91 2kb2 s VAL 77 Ca 0.07 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2kb2 s VAL 77 Cb -0.04 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.68 2kb2 s VAL 77 CO 0.08 0.04 0.01 -0.69 -3.33 0.00 0.00 175.10 171.21 2kb2 s VAL 78 N -0.10 0.05 0.06 2.04 1.01 -0.38 -4.94 120.40 118.14 2kb2 s VAL 78 Ca 0.61 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2kb2 s VAL 78 Cb -0.46 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.73 2kb2 s VAL 78 CO 0.47 0.07 1.76 -0.70 0.00 0.00 0.00 175.10 176.70 2kb2 s GLU 79 N 0.54 4.17 -0.24 2.72 -6.30 -1.26 -2.15 118.70 116.17 2kb2 s GLU 79 Ca -0.05 2.43 0.07 0.00 -2.50 0.00 0.00 54.97 54.93 2kb2 s GLU 79 Cb -0.07 -3.75 -0.20 0.00 0.00 0.00 0.00 34.13 30.11 2kb2 s GLU 79 CO -0.01 -0.82 -0.13 1.28 0.02 0.00 0.00 175.26 175.60 2kb2 n LEU 80 N 6.19 1.97 -4.01 2.70 4.32 0.25 -4.95 117.00 123.46 2kb2 n LEU 80 Ca 0.17 -0.09 -0.10 0.00 -0.02 0.00 0.00 56.01 55.97 2kb2 n LEU 80 Cb 0.40 -0.43 -0.06 0.00 -1.62 0.00 0.00 43.42 41.71 2kb2 n LEU 80 CO 0.64 0.79 0.08 -0.32 -1.22 0.00 0.00 177.39 177.37 2kb2 s MET 81 N -2.51 1.41 0.00 3.23 1.75 0.91 -4.92 119.30 119.17 2kb2 s MET 81 Ca -0.27 -1.27 0.00 0.00 -1.25 0.00 0.00 55.69 52.90 2kb2 s MET 81 Cb 0.08 0.43 0.00 0.00 2.84 0.00 0.00 34.83 38.18 2kb2 s MET 81 CO 0.68 -0.56 0.00 -2.13 -0.65 0.00 0.00 175.02 172.36 2kb2 n ARG 82 N -0.33 0.00 -4.09 4.11 0.63 -1.06 -1.67 116.66 114.25 2kb2 n ARG 82 Ca -0.03 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.76 2kb2 n ARG 82 Cb 0.63 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.41 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 0.73 0.98 6.15 2.15 -1.02 -4.90 116.67 120.76 2kb2 s ASP 83 Ca 0.00 -0.37 -0.11 0.00 0.43 0.00 0.00 52.55 52.50 2kb2 s ASP 83 Cb 0.00 -0.00 0.18 0.00 -0.30 0.00 0.00 42.92 42.80 2kb2 s ASP 83 CO 0.00 -0.10 1.10 -0.31 -0.17 0.00 0.00 175.17 175.69 2kb2 s TYR 84 N -0.88 1.70 0.20 -5.34 2.02 -1.26 0.53 117.35 114.32 2kb2 s TYR 84 Ca -0.05 1.51 -0.23 0.00 -0.37 0.00 0.00 57.07 57.93 2kb2 s TYR 84 Cb -0.07 -3.22 0.06 0.00 -0.40 0.00 0.00 41.96 38.34 2kb2 s TYR 84 CO 0.00 -3.02 0.95 0.45 -1.57 0.00 0.00 175.55 172.36 2kb2 s SER 85 N -2.78 -0.10 0.00 2.29 0.15 0.25 -4.68 113.70 108.83 2kb2 s SER 85 Ca 0.66 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2kb2 s SER 85 Cb -0.22 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2kb2 s SER 85 CO 0.60 -1.05 0.47 0.00 1.20 0.00 0.00 173.24 174.45 2kb2 n ALA 86 N -0.55 0.98 -3.22 5.45 0.00 -1.26 0.52 120.51 122.43 2kb2 n ALA 86 Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 2kb2 n ALA 86 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.12 -0.29 -0.09 0.00 1.13 -1.26 -4.83 117.35 111.90 2kb2 s TYR 87 Ca 0.00 0.34 -0.04 0.00 -1.41 0.00 0.00 57.07 55.96 2kb2 s TYR 87 Cb 0.00 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 41.04 2kb2 s TYR 87 CO 0.00 -0.54 0.08 1.03 -2.51 0.00 0.00 175.55 173.61 2kb2 s ARG 88 N -2.07 3.21 -0.20 -3.49 0.52 -1.26 -4.97 118.95 110.68 2kb2 s ARG 88 Ca -0.08 -0.30 -0.13 0.00 -0.52 0.00 0.00 55.73 54.70 2kb2 s ARG 88 Cb -0.02 -2.98 -0.20 0.00 0.52 0.00 0.00 34.95 32.27 2kb2 s ARG 88 CO 0.01 0.73 0.11 0.54 0.02 0.00 0.00 175.30 176.70 2kb2 n ARG 89 N 1.89 0.64 -1.26 3.54 5.12 -1.26 -4.34 116.66 120.98 2kb2 n ARG 89 Ca -0.18 0.38 -0.26 0.00 -1.93 0.00 0.00 57.85 55.86 2kb2 n ARG 89 Cb 0.54 -1.67 0.02 0.00 -1.16 0.00 0.00 32.46 30.20 2kb2 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kb2 n PHE 90 N -3.99 2.09 -0.14 -1.55 3.01 -1.26 -3.79 117.46 111.83 2kb2 n PHE 90 Ca -0.38 -2.24 0.17 0.00 1.01 0.00 0.00 57.45 56.02 2kb2 n PHE 90 Cb 0.86 -1.21 0.55 0.00 -0.01 0.00 0.00 39.48 39.67 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2kb2 h HIS 91 N 2.17 0.38 0.00 1.38 2.76 -1.94 0.28 115.15 120.17 2kb2 h HIS 91 Ca 0.42 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2kb2 h HIS 91 Cb 0.74 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2kb2 h HIS 91 CO 1.17 0.14 -0.07 0.41 -1.30 0.00 0.00 177.93 178.27 2kb2 n GLY 92 N -1.55 -1.51 2.69 5.26 0.00 -1.26 -4.63 105.19 104.18 2kb2 n GLY 92 Ca 0.14 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.03 -0.26 0.30 2.61 2.01 0.98 -5.02 115.64 113.23 2kb2 s THR 93 Ca 0.13 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 2kb2 s THR 93 Cb 0.17 -0.78 0.25 0.00 0.01 0.00 0.00 72.50 72.15 2kb2 s THR 93 CO 0.57 -0.37 1.95 1.23 -0.69 0.00 0.00 174.62 177.31 2kb2 h GLY 94 N 8.34 1.11 -5.04 4.40 0.00 -1.82 -3.26 103.07 106.80 2kb2 h GLY 94 Ca -0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2kb2 h GLY 94 CO 0.32 0.43 0.05 -0.29 0.00 0.00 0.00 176.54 177.06 2kb2 s MET 95 N -5.82 0.76 -0.28 4.80 1.75 -1.24 -0.29 119.30 118.99 2kb2 s MET 95 Ca -0.11 1.03 0.00 0.00 -1.25 0.00 0.00 55.69 55.37 2kb2 s MET 95 Cb 0.17 0.30 0.16 0.00 2.84 0.00 0.00 34.83 38.30 2kb2 s MET 95 CO 0.79 -0.11 0.46 0.50 -0.65 0.00 0.00 175.02 176.00 2kb2 s ARG 96 N 0.80 0.44 0.91 4.11 3.00 -1.22 -4.53 118.95 122.46 2kb2 s ARG 96 Ca -0.04 0.47 -0.10 0.00 -1.00 0.00 0.00 55.73 55.06 2kb2 s ARG 96 Cb -0.05 -0.14 0.14 0.00 0.00 0.00 0.00 34.95 34.90 2kb2 s ARG 96 CO -0.06 -0.84 1.13 -1.50 0.00 0.00 0.00 175.30 174.03 2kb2 s ILE 97 N 2.64 2.28 -0.40 4.11 -1.16 -1.26 -1.36 121.20 126.05 2kb2 s ILE 97 Ca 0.13 0.09 0.01 0.00 -0.51 0.00 0.00 60.65 60.37 2kb2 s ILE 97 Cb -0.14 -2.21 0.14 0.00 0.61 0.00 0.00 42.46 40.87 2kb2 s ILE 97 CO -0.23 -0.12 0.22 -0.22 -2.81 0.00 0.00 174.94 171.78 2kb2 s LEU 98 N -6.54 2.01 -0.93 8.50 2.96 0.27 -4.72 118.68 120.23 2kb2 s LEU 98 Ca 0.66 -2.44 -0.26 0.00 -0.22 0.00 0.00 54.13 51.87 2kb2 s LEU 98 Cb -0.22 -0.78 -0.15 0.00 0.50 0.00 0.00 46.19 45.54 2kb2 s LEU 98 CO 0.58 -0.29 2.22 -0.62 -1.32 0.00 0.00 176.35 176.93 2kb2 s ASP 99 N 0.66 3.95 0.61 3.68 -1.08 -1.26 -1.65 116.67 121.57 2kb2 s ASP 99 Ca 0.18 -0.51 0.31 0.00 -0.52 0.00 0.00 52.55 52.00 2kb2 s ASP 99 Cb -0.24 -2.57 1.73 0.00 -1.46 0.00 0.00 42.92 40.38 2kb2 s ASP 99 CO 0.00 -4.00 2.10 -0.07 0.52 0.00 0.00 175.17 173.72 2kb2 h LEU 100 N 21.62 0.00 -1.14 -1.34 3.38 -0.05 0.16 115.31 137.95 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 0.10 0.54 0.09 0.00 0.00 178.44 180.21 2kb2 n ARG 101 N -3.62 0.11 -0.08 1.13 1.74 -1.23 -1.36 116.66 113.35 2kb2 n ARG 101 Ca 0.01 0.60 -0.23 0.00 -0.77 0.00 0.00 57.85 57.46 2kb2 n ARG 101 Cb 0.32 -1.96 -0.12 0.00 -1.02 0.00 0.00 32.46 29.67 2kb2 n ARG 101 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kb2 n LEU 102 N -2.12 2.34 0.00 0.55 4.77 0.55 -5.01 117.00 118.07 2kb2 n LEU 102 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kb2 n LEU 102 Cb 0.12 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2kb2 n LEU 102 CO 0.08 0.64 0.00 0.49 -1.33 0.00 0.00 177.39 177.27 2kb2 n PHE 103 N -3.88 0.00 -2.64 -1.77 3.72 -0.46 -5.06 117.46 107.37 2kb2 n PHE 103 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2kb2 n PHE 103 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.44 -1.08 0.28 -1.26 -4.84 120.64 114.18 2kb2 n GLU 104 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2kb2 n GLU 104 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 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 0.08 0.00 3.84 2.02 -1.91 0.12 112.91 117.06 2kb2 h THR 105 Ca 0.00 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 2kb2 h THR 105 Cb 0.00 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2kb2 h THR 105 CO 0.00 0.00 -0.38 -0.78 0.37 0.00 0.00 175.52 174.73 2kb2 h ASP 106 N -1.24 0.00 -0.07 4.18 1.82 -1.98 -2.60 116.42 116.53 2kb2 h ASP 106 Ca -0.11 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.46 2kb2 h ASP 106 Cb 0.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.88 2kb2 h ASP 106 CO 0.19 0.38 -0.20 1.23 -1.61 0.00 0.00 179.24 179.23 2kb2 h GLY 107 N 3.59 0.28 0.68 -0.78 0.00 -1.93 -2.50 103.07 102.42 2kb2 h GLY 107 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2kb2 h GLY 107 CO 0.05 0.32 -0.09 0.00 0.00 0.00 0.00 176.54 176.82 2kb2 h ALA 108 N 0.46 0.16 -0.51 3.60 0.00 -0.83 -2.46 119.26 119.67 2kb2 h ALA 108 Ca -0.00 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.71 2kb2 h ALA 108 Cb 0.81 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2kb2 h ALA 108 CO 0.04 -0.02 0.03 1.25 0.00 0.00 0.00 179.25 180.56 2kb2 h LEU 109 N -0.14 -0.15 -1.15 0.00 5.85 -1.57 0.77 115.31 118.93 2kb2 h LEU 109 Ca 0.02 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2kb2 h LEU 109 Cb 0.59 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2kb2 h LEU 109 CO 0.02 -0.05 0.59 1.05 -0.34 0.00 0.00 178.44 179.71 2kb2 h GLU 110 N 0.15 1.03 -0.31 1.25 4.11 -1.42 -2.17 114.58 117.23 2kb2 h GLU 110 Ca 0.26 -0.06 0.06 0.00 0.07 0.00 0.00 59.36 59.69 2kb2 h GLU 110 Cb 0.38 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 2kb2 h GLU 110 CO -0.40 0.68 -0.41 0.93 0.07 0.00 0.00 179.01 179.89 2kb2 h GLU 111 N 1.06 -0.36 -0.47 1.06 4.39 -0.36 0.22 114.58 120.13 2kb2 h GLU 111 Ca 0.37 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.18 2kb2 h GLU 111 Cb 0.12 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.75 2kb2 h GLU 111 CO -0.13 -0.24 -0.38 0.82 -1.16 0.00 0.00 179.01 177.92 2kb2 h ILE 112 N -0.37 0.15 -0.64 3.13 5.03 -1.08 0.34 117.51 124.07 2kb2 h ILE 112 Ca 0.12 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 65.01 2kb2 h ILE 112 Cb 0.59 0.15 -0.03 0.00 -3.03 0.00 0.00 36.82 34.50 2kb2 h ILE 112 CO -0.50 0.00 0.44 -0.07 -0.68 0.00 0.00 178.15 177.34 2kb2 h LEU 113 N -0.25 0.19 -1.09 1.44 -0.00 -0.89 0.63 115.31 115.33 2kb2 h LEU 113 Ca 0.18 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.98 2kb2 h LEU 113 Cb 0.56 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2kb2 h LEU 113 CO -0.61 0.10 -0.28 0.03 -0.00 0.00 0.00 178.44 177.69 2kb2 h ARG 114 N 0.20 0.30 0.00 1.13 3.08 0.28 -3.19 114.38 116.19 2kb2 h ARG 114 Ca 0.31 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2kb2 h ARG 114 Cb 0.93 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2kb2 h ARG 114 CO -0.06 0.56 -0.02 1.97 -1.07 0.00 0.00 179.97 181.36 2kb2 n PHE 115 N -4.13 0.00 -4.35 3.04 1.16 -0.47 -5.04 117.46 107.68 2kb2 n PHE 115 Ca -0.01 -0.65 -0.18 0.00 -1.87 0.00 0.00 57.45 54.75 2kb2 n PHE 115 Cb 0.39 -0.08 -0.10 0.00 -1.61 0.00 0.00 39.48 38.07 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 -1.65 1.74 -0.29 5.98 0.15 0.21 -4.71 113.70 115.13 2kb2 s SER 116 Ca 0.12 -1.30 -0.03 0.00 0.70 0.00 0.00 55.95 55.44 2kb2 s SER 116 Cb 0.10 0.04 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 2kb2 s SER 116 CO 0.01 -0.60 0.11 0.42 1.20 0.00 0.00 173.24 174.39 2kb2 s THR 117 N -3.50 0.25 -1.22 6.45 -4.23 -1.25 -4.64 115.64 107.51 2kb2 s THR 117 Ca 0.33 -0.92 -0.16 0.00 -1.18 0.00 0.00 61.69 59.75 2kb2 s THR 117 Cb 0.07 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2kb2 s THR 117 CO 0.11 -0.67 2.16 0.49 -0.54 0.00 0.00 174.62 176.17 2kb2 n PHE 118 N 5.12 2.86 1.43 3.99 3.01 -1.26 -4.66 117.46 127.94 2kb2 n PHE 118 Ca -0.05 -2.56 0.05 0.00 1.01 0.00 0.00 57.45 55.91 2kb2 n PHE 118 Cb 0.43 -2.24 0.32 0.00 -0.01 0.00 0.00 39.48 37.98 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kb2 n GLY 119 N 4.21 -0.71 3.50 1.37 0.00 -1.26 -4.83 105.19 107.47 2kb2 n GLY 119 Ca 0.52 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 2kb2 n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kb2 s VAL 120 N -2.00 1.86 0.08 1.61 -7.23 -1.26 -4.95 120.40 108.51 2kb2 s VAL 120 Ca 0.16 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 59.98 2kb2 s VAL 120 Cb 0.08 -2.17 -0.18 0.00 0.56 0.00 0.00 36.38 34.66 2kb2 s VAL 120 CO 0.13 0.00 1.59 0.74 -0.31 0.00 0.00 175.10 177.24 2kb2 h THR 121 N -2.65 0.13 -2.55 5.32 2.02 -2.03 -3.44 112.91 109.71 2kb2 h THR 121 Ca -0.57 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 2kb2 h THR 121 Cb 1.34 0.13 -0.26 0.00 -1.74 0.00 0.00 68.15 67.61 2kb2 h THR 121 CO 0.48 0.00 -0.30 -1.61 0.37 0.00 0.00 175.52 174.47 2kb2 s GLU 122 N -5.97 0.39 0.00 6.66 0.41 -1.26 -5.01 118.70 113.92 2kb2 s GLU 122 Ca -0.18 0.91 0.09 0.00 -0.41 0.00 0.00 54.97 55.38 2kb2 s GLU 122 Cb 0.04 0.12 0.43 0.00 -1.78 0.00 0.00 34.13 32.93 2kb2 s GLU 122 CO 0.61 -0.19 1.18 -0.35 -0.49 0.00 0.00 175.26 176.02 2kb2 n PRO 123 N 4.65 0.10 0.00 0.39 -0.04 -1.26 -3.14 135.00 135.69 2kb2 n PRO 123 Ca -0.18 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2kb2 n PRO 123 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kb2 n VAL 124 N -1.33 0.00 1.20 0.52 0.31 -1.26 -3.26 118.33 114.51 2kb2 n VAL 124 Ca 0.04 1.14 0.10 0.00 -0.01 0.00 0.00 64.34 65.61 2kb2 n VAL 124 Cb 0.08 -2.09 0.59 0.00 -0.91 0.00 0.00 33.84 31.50 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 -1.21 0.00 -4.53 4.52 0.23 -1.24 -4.75 115.26 108.28 2kb2 n ASN 125 Ca 0.00 -0.46 -0.40 0.00 -0.53 0.00 0.00 54.58 53.20 2kb2 n ASN 125 Cb 0.00 -0.08 -0.07 0.00 -2.08 0.00 0.00 39.78 37.55 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kb2 n ASP 126 N -1.08 1.80 -0.35 0.53 2.03 -1.19 -4.79 116.55 113.50 2kb2 n ASP 126 Ca 0.14 -0.18 0.16 0.00 0.52 0.00 0.00 54.79 55.43 2kb2 n ASP 126 Cb 0.10 -1.37 0.37 0.00 -0.72 0.00 0.00 41.12 39.50 2kb2 n ASP 126 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2kb2 h ARG 127 N 16.48 0.61 -0.27 -0.67 2.47 -1.90 0.54 114.38 131.64 2kb2 h ARG 127 Ca -0.20 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 2kb2 h ARG 127 Cb 1.29 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 2kb2 h ARG 127 CO 1.19 0.40 0.09 1.98 0.56 0.00 0.00 179.97 184.20 2kb2 h MET 128 N 0.63 0.42 -0.05 0.04 1.85 -1.96 -2.77 114.93 113.09 2kb2 h MET 128 Ca 0.63 -0.09 -0.04 0.00 -0.61 0.00 0.00 59.70 59.59 2kb2 h MET 128 Cb 1.14 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 2kb2 h MET 128 CO -0.45 0.47 -0.15 0.35 -0.40 0.00 0.00 176.91 176.73 2kb2 h PHE 129 N 0.28 0.08 -0.89 1.39 3.57 -1.26 -1.09 116.94 119.03 2kb2 h PHE 129 Ca 0.09 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.72 2kb2 h PHE 129 Cb 0.22 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.85 2kb2 h PHE 129 CO 0.00 0.23 0.50 0.00 -2.23 0.00 0.00 178.31 176.81 2kb2 h ARG 130 N 0.07 0.72 0.00 1.11 2.47 -0.83 0.24 114.38 118.17 2kb2 h ARG 130 Ca 0.01 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2kb2 h ARG 130 Cb 0.32 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2kb2 h ARG 130 CO 0.02 0.48 -0.16 -0.07 0.56 0.00 0.00 179.97 180.80 2kb2 h LEU 131 N 0.75 0.00 -0.68 3.04 3.38 -1.47 -3.03 115.31 117.29 2kb2 h LEU 131 Ca 0.47 -0.81 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2kb2 h LEU 131 Cb 0.58 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 2kb2 h LEU 131 CO -0.32 1.00 -0.52 0.25 0.09 0.00 0.00 178.44 178.94 2kb2 h LEU 132 N -1.00 -1.80 -1.32 1.67 5.85 -0.90 0.33 115.31 118.14 2kb2 h LEU 132 Ca -0.04 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2kb2 h LEU 132 Cb 0.91 0.79 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 2kb2 h LEU 132 CO -0.02 -0.32 -0.01 -1.28 -0.34 0.00 0.00 178.44 176.46 2kb2 h SER 133 N -0.20 0.00 0.61 1.25 0.87 -1.13 -1.15 113.55 113.80 2kb2 h SER 133 Ca 0.15 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 2kb2 h SER 133 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2kb2 h SER 133 CO -0.75 0.01 -0.71 0.00 -0.53 0.00 0.00 176.83 174.84 2kb2 h ALA 134 N 1.99 0.79 0.12 6.23 0.00 -0.35 0.25 119.26 128.28 2kb2 h ALA 134 Ca -0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 54.91 53.98 2kb2 h ALA 134 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kb2 h ALA 134 CO 0.00 0.85 -1.44 0.35 0.00 0.00 0.00 179.25 179.01 2kb2 h PHE 135 N 0.05 0.45 -0.18 0.00 3.57 -0.45 0.17 116.94 120.55 2kb2 h PHE 135 Ca -0.01 -0.33 -0.10 0.00 3.53 0.00 0.00 57.97 61.06 2kb2 h PHE 135 Cb 1.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2kb2 h PHE 135 CO 0.01 1.34 -0.31 0.82 -2.23 0.00 0.00 178.31 177.94 2kb2 h ILE 136 N 0.07 1.28 0.00 1.41 5.03 -1.15 0.20 117.51 124.35 2kb2 h ILE 136 Ca -0.21 -1.34 -0.03 0.00 -0.12 0.00 0.00 64.86 63.16 2kb2 h ILE 136 Cb 2.00 1.48 -0.00 0.00 -3.03 0.00 0.00 36.82 37.27 2kb2 h ILE 136 CO 0.17 0.41 -0.48 0.00 -0.68 0.00 0.00 178.15 177.58 2kb2 h ALA 137 N 1.35 0.04 0.06 1.87 0.00 -0.56 -3.27 119.26 118.75 2kb2 h ALA 137 Ca 0.04 -0.49 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 2kb2 h ALA 137 Cb 0.72 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2kb2 h ALA 137 CO 0.05 0.40 -2.12 -3.47 0.00 0.00 0.00 179.25 174.11 2kb2 n ASP 138 N -4.63 1.67 -4.11 0.00 -0.08 0.56 -4.92 116.55 105.05 2kb2 n ASP 138 Ca -0.09 0.13 -0.31 0.00 -1.51 0.00 0.00 54.79 53.01 2kb2 n ASP 138 Cb 0.27 -0.43 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kb2 n GLY 139 N 1.97 -0.34 3.02 0.27 0.00 0.71 -3.27 105.19 107.56 2kb2 n GLY 139 Ca -0.33 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 2kb2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb2 n GLY 140 N -1.71 -1.25 0.00 -0.02 0.00 -1.26 -4.88 105.19 96.07 2kb2 n GLY 140 Ca -0.11 1.07 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb2 n ARG 141 N -0.05 0.00 -4.69 1.61 5.12 -1.20 -5.01 116.66 112.44 2kb2 n ARG 141 Ca 0.04 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.66 2kb2 n ARG 141 Cb 0.46 -0.02 -0.08 0.00 -1.16 0.00 0.00 32.46 31.66 2kb2 n ARG 141 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2kb2 s TYR 142 N 0.00 1.92 0.00 -1.55 1.13 -1.26 -5.06 117.35 112.53 2kb2 s TYR 142 Ca 0.00 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 54.67 2kb2 s TYR 142 Cb 0.00 -1.53 0.00 0.00 -1.10 0.00 0.00 41.96 39.33 2kb2 s TYR 142 CO 0.00 0.14 0.00 0.00 -2.51 0.00 0.00 175.55 173.18 2kb2 h LEU 144 N 0.00 -1.69 -9.63 0.00 7.12 -2.06 -3.42 115.31 105.63 2kb2 h LEU 144 Ca 0.00 0.30 -0.57 0.00 0.13 0.00 0.00 57.88 57.74 2kb2 h LEU 144 Cb 0.42 0.80 0.18 0.00 -0.53 0.00 0.00 40.66 41.53 2kb2 h LEU 144 CO 0.00 -0.28 -0.36 -2.65 -0.13 0.00 0.00 178.44 175.02 2kb2 n PRO 145 N -5.38 0.40 -2.32 5.25 -0.02 -1.26 -4.87 135.00 126.78 2kb2 n PRO 145 Ca 0.05 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 2kb2 n PRO 145 Cb 0.34 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2kb2 n PRO 145 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb2 s GLU 146 N -2.59 3.71 0.56 -0.52 8.01 -1.26 -5.01 118.70 121.59 2kb2 s GLU 146 Ca 0.67 1.17 -0.07 0.00 0.01 0.00 0.00 54.97 56.75 2kb2 s GLU 146 Cb -0.38 -3.98 -0.02 0.00 -4.31 0.00 0.00 34.13 25.44 2kb2 s GLU 146 CO 0.56 -1.39 0.89 -1.25 0.01 0.00 0.00 175.26 174.08 2kb2 s PRO 147 N 4.67 3.29 0.00 0.39 0.04 -1.26 -5.24 135.00 136.88 2kb2 s PRO 147 Ca 0.62 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2kb2 s PRO 147 Cb -0.17 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2kb2 s PRO 147 CO 0.29 -0.49 0.33 1.47 0.04 0.00 0.00 177.00 178.64