#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 0.67 0.05 1.61 2.12 -1.26 -5.18 118.70 116.71 2kb2 s GLU 2 Ca 0.00 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.64 2kb2 s GLU 2 Cb 0.00 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 2kb2 s GLU 2 CO 0.00 -0.18 -0.05 0.12 -0.54 0.00 0.00 175.26 174.61 2kb2 s PHE 3 N -0.78 0.54 0.86 5.30 5.36 -1.26 -5.16 117.98 122.84 2kb2 s PHE 3 Ca -0.02 -0.68 -0.14 0.00 -0.96 0.00 0.00 56.93 55.12 2kb2 s PHE 3 Cb -0.02 -0.35 0.21 0.00 -0.34 0.00 0.00 43.02 42.53 2kb2 s PHE 3 CO 0.02 -0.19 0.77 0.00 -1.46 0.00 0.00 175.22 174.36 2kb2 n MET 4 N 1.01 -2.49 -4.59 10.12 0.00 -1.26 -5.03 117.12 114.87 2kb2 n MET 4 Ca -0.20 -1.23 -0.32 0.00 0.00 0.00 0.00 57.70 55.96 2kb2 n MET 4 Cb 0.57 -1.14 -0.06 0.00 0.00 0.00 0.00 33.22 32.58 2kb2 n MET 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kb2 s LEU 5 N 0.00 2.38 0.08 3.17 1.02 0.29 -4.43 118.68 121.18 2kb2 s LEU 5 Ca 0.50 -1.57 -0.24 0.00 0.02 0.00 0.00 54.13 52.84 2kb2 s LEU 5 Cb -0.05 -0.82 0.06 0.00 0.02 0.00 0.00 46.19 45.40 2kb2 s LEU 5 CO 0.38 -0.89 0.57 -0.89 0.02 0.00 0.00 176.35 175.54 2kb2 s THR 6 N -2.85 0.02 -0.32 5.49 2.01 0.23 -0.25 115.64 119.96 2kb2 s THR 6 Ca 0.11 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2kb2 s THR 6 Cb 0.01 -1.01 0.10 0.00 0.01 0.00 0.00 72.50 71.61 2kb2 s THR 6 CO 0.07 -0.07 0.05 -0.89 -0.69 0.00 0.00 174.62 173.08 2kb2 s THR 7 N -2.84 1.88 -0.11 -0.82 2.01 0.92 0.34 115.64 117.01 2kb2 s THR 7 Ca -0.03 -2.01 -0.13 0.00 0.31 0.00 0.00 61.69 59.83 2kb2 s THR 7 Cb -0.00 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 2kb2 s THR 7 CO -0.05 -0.56 0.31 -0.22 -0.69 0.00 0.00 174.62 173.42 2kb2 s LEU 8 N 1.12 4.33 -0.01 4.42 0.20 0.01 -1.97 118.68 126.78 2kb2 s LEU 8 Ca 0.09 0.65 0.02 0.00 0.69 0.00 0.00 54.13 55.57 2kb2 s LEU 8 Cb -0.19 -2.41 0.00 0.00 -0.43 0.00 0.00 46.19 43.17 2kb2 s LEU 8 CO -0.12 0.20 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.46 2kb2 s ILE 9 N -0.18 0.50 0.21 6.68 1.01 -0.67 -0.09 121.20 128.66 2kb2 s ILE 9 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 2kb2 s ILE 9 Cb -0.14 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 2kb2 s ILE 9 CO 0.07 0.16 0.20 -0.72 0.00 0.00 0.00 174.94 174.65 2kb2 s TYR 10 N 0.12 1.05 -0.12 3.97 -0.85 -0.73 0.13 117.35 120.92 2kb2 s TYR 10 Ca -0.01 -1.28 -0.07 0.00 -0.52 0.00 0.00 57.07 55.18 2kb2 s TYR 10 Cb -0.06 -0.43 0.05 0.00 0.38 0.00 0.00 41.96 41.90 2kb2 s TYR 10 CO -0.00 -0.71 0.30 -0.98 -1.52 0.00 0.00 175.55 172.64 2kb2 s ARG 11 N -4.10 0.29 0.00 -3.49 1.70 -0.85 -0.59 118.95 111.91 2kb2 s ARG 11 Ca 0.36 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.20 2kb2 s ARG 11 Cb 0.05 -0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2kb2 s ARG 11 CO 0.12 -0.14 0.00 -1.13 -1.08 0.00 0.00 175.30 173.07 2kb2 n SER 12 N 3.97 1.30 0.00 -2.89 3.41 -0.04 -1.06 113.62 118.31 2kb2 n SER 12 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2kb2 n SER 12 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.40 -2.61 4.33 6.02 -1.26 -2.01 117.38 123.26 2kb2 n GLN 13 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 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 -3.17 5.09 3.14 0.17 -4.10 118.33 119.46 2kb2 n VAL 14 Ca 0.00 -0.22 -0.46 0.00 -2.96 0.00 0.00 64.34 60.70 2kb2 n VAL 14 Cb 0.00 0.34 -0.03 0.00 -1.06 0.00 0.00 33.84 33.09 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 -3.88 3.38 0.21 1.45 3.76 -1.25 -4.78 115.29 114.19 2kb2 s HIS 15 Ca 0.11 -1.55 0.19 0.00 -0.15 0.00 0.00 55.06 53.66 2kb2 s HIS 15 Cb -0.01 -3.99 1.06 0.00 1.11 0.00 0.00 32.58 30.74 2kb2 s HIS 15 CO 0.02 -1.20 1.54 -1.00 -0.85 0.00 0.00 174.74 173.25 2kb2 h PRO 16 N 8.46 0.00 0.07 8.40 0.13 -1.93 0.86 132.00 147.99 2kb2 h PRO 16 Ca 0.01 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 2kb2 h PRO 16 Cb 1.05 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 2kb2 h PRO 16 CO 0.95 0.00 -2.04 -3.47 -0.23 0.00 0.00 178.00 173.21 2kb2 n ASP 17 N -2.35 1.67 -4.55 1.44 2.03 -1.26 -4.96 116.55 108.57 2kb2 n ASP 17 Ca -0.01 0.19 -0.29 0.00 0.52 0.00 0.00 54.79 55.19 2kb2 n ASP 17 Cb 0.32 -0.48 0.16 0.00 -0.72 0.00 0.00 41.12 40.40 2kb2 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb2 s ARG 18 N -2.56 0.63 0.97 -0.67 1.70 0.29 -5.07 118.95 114.25 2kb2 s ARG 18 Ca -0.19 0.17 -0.16 0.00 -0.47 0.00 0.00 55.73 55.08 2kb2 s ARG 18 Cb 0.07 -1.79 0.20 0.00 -0.57 0.00 0.00 34.95 32.86 2kb2 s ARG 18 CO 0.76 -2.52 1.32 -1.25 -1.08 0.00 0.00 175.30 172.53 2kb2 s PRO 19 N -5.34 0.60 1.04 3.89 0.05 -1.26 -4.91 135.00 129.07 2kb2 s PRO 19 Ca 0.66 -0.39 -0.15 0.00 0.05 0.00 0.00 61.00 61.17 2kb2 s PRO 19 Cb -0.13 -1.84 0.10 0.00 0.05 0.00 0.00 34.50 32.68 2kb2 s PRO 19 CO 0.54 -2.45 0.33 -2.30 0.05 0.00 0.00 177.00 173.17 2kb2 n PRO 20 N -3.79 -1.07 -3.44 0.56 -0.02 -1.26 -4.95 135.00 121.03 2kb2 n PRO 20 Ca 0.15 -0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 2kb2 n PRO 20 Cb 0.59 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.34 5.04 -1.42 -1.45 1.01 -1.26 -4.98 120.40 115.00 2kb2 s VAL 21 Ca 0.58 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2kb2 s VAL 21 Cb -0.18 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2kb2 s VAL 21 CO 0.66 -0.19 2.77 0.47 0.00 0.00 0.00 175.10 178.81 2kb2 n ASP 22 N -0.55 8.31 0.00 3.32 9.92 -1.26 -4.73 116.55 131.56 2kb2 n ASP 22 Ca -0.01 -2.81 0.00 0.00 -0.53 0.00 0.00 54.79 51.44 2kb2 n ASP 22 Cb 0.53 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 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 2.74 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.93 2kb2 n LEU 23 Ca 0.70 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.48 2kb2 n LEU 23 Cb 0.27 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2kb2 n LEU 23 CO 0.75 0.00 -1.28 -0.67 -1.33 0.00 0.00 177.39 174.86 2kb2 n ASP 24 N -0.62 2.02 0.04 -1.43 -0.08 -1.26 -4.25 116.55 110.96 2kb2 n ASP 24 Ca 0.00 0.06 -0.06 0.00 -1.51 0.00 0.00 54.79 53.28 2kb2 n ASP 24 Cb 0.00 -0.51 -0.11 0.00 2.34 0.00 0.00 41.12 42.84 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 -0.37 0.56 -0.52 -1.67 0.00 -0.49 -2.60 119.26 114.16 2kb2 h ALA 25 Ca -0.55 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 53.25 2kb2 h ALA 25 Cb 1.68 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2kb2 h ALA 25 CO -0.20 1.28 0.11 1.25 0.00 0.00 0.00 179.25 181.68 2kb2 h LEU 26 N 0.00 0.81 0.02 0.00 6.46 0.11 -2.86 115.31 119.85 2kb2 h LEU 26 Ca -0.12 -0.25 -0.26 0.00 -0.12 0.00 0.00 57.88 57.13 2kb2 h LEU 26 Cb 1.80 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.48 2kb2 h LEU 26 CO 0.10 0.85 -1.42 1.62 -0.62 0.00 0.00 178.44 178.97 2kb2 h VAL 27 N 0.74 1.21 0.25 1.05 3.04 -1.74 -3.34 116.25 117.46 2kb2 h VAL 27 Ca 0.16 -2.98 0.01 0.00 -1.01 0.00 0.00 66.70 62.88 2kb2 h VAL 27 Cb 0.37 2.63 -0.03 0.00 -2.01 0.00 0.00 31.29 32.24 2kb2 h VAL 27 CO 0.01 0.72 -0.39 -0.74 -1.01 0.00 0.00 177.57 176.16 2kb2 h HIS 28 N 0.01 -1.07 -0.11 3.17 6.17 -1.37 0.17 115.15 122.12 2kb2 h HIS 28 Ca -0.18 0.02 0.03 0.00 0.71 0.00 0.00 60.37 60.95 2kb2 h HIS 28 Cb 1.92 0.44 -0.00 0.00 2.52 0.00 0.00 27.41 32.28 2kb2 h HIS 28 CO 0.01 -0.51 0.10 0.00 0.71 0.00 0.00 177.93 178.24 2kb2 h ARG 29 N -0.70 0.00 0.02 5.26 -0.00 -1.68 -2.62 114.38 114.65 2kb2 h ARG 29 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2kb2 h ARG 29 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.65 2kb2 h ARG 29 CO -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 179.97 179.81 2kb2 h ALA 30 N 1.89 -0.02 -0.99 0.04 0.00 -1.40 -3.25 119.26 115.53 2kb2 h ALA 30 Ca 0.05 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 54.99 2kb2 h ALA 30 Cb 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2kb2 h ALA 30 CO -0.00 -0.03 0.64 1.03 0.00 0.00 0.00 179.25 180.89 2kb2 h SER 31 N -0.99 0.49 0.60 0.00 0.87 -0.56 0.33 113.55 114.28 2kb2 h SER 31 Ca -0.00 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2kb2 h SER 31 Cb 0.41 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2kb2 h SER 31 CO 0.00 0.15 -0.38 -1.28 -0.53 0.00 0.00 176.83 174.80 2kb2 h SER 32 N 0.46 0.00 0.14 6.23 0.87 -1.60 -1.48 113.55 118.18 2kb2 h SER 32 Ca 0.55 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.79 2kb2 h SER 32 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2kb2 h SER 32 CO -0.26 0.38 -1.58 0.50 -0.53 0.00 0.00 176.83 175.33 2kb2 h LYS 33 N 0.00 0.30 -0.01 2.24 3.11 -0.48 -3.38 116.57 118.35 2kb2 h LYS 33 Ca -0.00 -0.52 -0.17 0.00 -2.81 0.00 0.00 60.65 57.15 2kb2 h LYS 33 Cb 0.78 0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 32.19 2kb2 h LYS 33 CO 0.05 1.25 -0.75 -0.91 -2.81 0.00 0.00 179.45 176.28 2kb2 h ASN 34 N -0.12 0.15 0.40 4.20 2.35 -1.04 -3.02 115.58 118.50 2kb2 h ASN 34 Ca -0.33 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 2kb2 h ASN 34 Cb 1.91 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 40.21 2kb2 h ASN 34 CO 0.11 0.84 -0.49 0.25 -1.65 0.00 0.00 177.43 176.49 2kb2 h LEU 35 N 0.08 -1.38 -1.52 1.61 5.85 -1.39 0.27 115.31 118.82 2kb2 h LEU 35 Ca -0.02 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2kb2 h LEU 35 Cb 1.32 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 2kb2 h LEU 35 CO 0.11 -0.62 -0.24 1.55 -0.34 0.00 0.00 178.44 178.89 2kb2 h PRO 36 N -0.92 0.00 0.00 5.25 0.13 -1.74 -2.23 132.00 132.50 2kb2 h PRO 36 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2kb2 h PRO 36 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2kb2 h PRO 36 CO -0.11 0.24 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.69 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.30 -3.46 115.31 116.18 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 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2kb2 h LEU 37 CO 0.03 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 2kb2 n GLY 38 N 0.18 0.74 3.78 0.83 0.00 0.08 -4.98 105.19 105.82 2kb2 n GLY 38 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.22 4.55 0.06 -0.61 1.01 0.72 -4.71 121.20 119.99 2kb2 s ILE 39 Ca 0.00 1.56 0.06 0.00 0.00 0.00 0.00 60.65 62.27 2kb2 s ILE 39 Cb 0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2kb2 s ILE 39 CO 0.00 0.49 -0.16 0.42 0.00 0.00 0.00 174.94 175.70 2kb2 s THR 40 N -0.86 1.24 -0.81 2.92 -4.23 -0.35 -3.97 115.64 109.58 2kb2 s THR 40 Ca 0.35 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2kb2 s THR 40 Cb -0.22 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2kb2 s THR 40 CO 0.24 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 2kb2 n GLY 41 N 1.57 -1.01 3.37 3.99 0.00 0.16 0.90 105.19 114.17 2kb2 n GLY 41 Ca -0.19 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 0.01 0.35 -0.61 2.07 -0.59 -3.36 121.20 116.06 2kb2 s ILE 42 Ca 0.00 -0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 2kb2 s ILE 42 Cb 0.00 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2kb2 s ILE 42 CO 0.00 -0.06 0.25 -0.76 -1.91 0.00 0.00 174.94 172.46 2kb2 s LEU 43 N -0.28 3.45 0.03 8.50 1.43 -0.44 -0.31 118.68 131.07 2kb2 s LEU 43 Ca -0.04 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2kb2 s LEU 43 Cb -0.03 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2kb2 s LEU 43 CO 0.03 -0.36 0.07 -0.76 0.23 0.00 0.00 176.35 175.55 2kb2 s LEU 44 N -3.95 1.92 -0.14 1.79 1.02 0.17 0.88 118.68 120.37 2kb2 s LEU 44 Ca 0.40 -0.54 -0.09 0.00 0.02 0.00 0.00 54.13 53.93 2kb2 s LEU 44 Cb -0.04 0.48 0.05 0.00 0.02 0.00 0.00 46.19 46.70 2kb2 s LEU 44 CO 0.25 -0.46 0.35 0.12 0.02 0.00 0.00 176.35 176.63 2kb2 s PHE 45 N -2.40 -0.48 0.00 0.29 5.36 -0.84 -2.23 117.98 117.69 2kb2 s PHE 45 Ca -0.07 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 2kb2 s PHE 45 Cb -0.03 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 2kb2 s PHE 45 CO -0.04 -0.28 0.93 0.27 -1.46 0.00 0.00 175.22 174.64 2kb2 n ASN 46 N 3.91 1.79 0.00 6.13 0.23 -1.17 0.75 115.26 126.91 2kb2 n ASN 46 Ca -0.21 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 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 -0.43 0.48 0.00 4.83 0.00 -1.26 -4.73 105.19 104.07 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 -4.63 0.99 -0.00 -1.26 -4.94 117.00 107.16 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 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2kb2 n LEU 48 CO 0.00 0.00 -0.28 -1.10 -0.00 0.00 0.00 177.39 176.01 2kb2 s GLN 49 N -1.00 2.00 -0.20 1.96 -0.21 -1.26 -0.66 119.66 120.28 2kb2 s GLN 49 Ca 0.00 -2.03 -0.02 0.00 0.02 0.00 0.00 55.36 53.33 2kb2 s GLN 49 Cb 0.00 -1.72 0.06 0.00 1.00 0.00 0.00 33.01 32.35 2kb2 s GLN 49 CO 0.00 -0.03 0.01 -0.06 -2.12 0.00 0.00 175.29 173.09 2kb2 s PHE 50 N -2.67 1.36 -0.26 0.91 0.08 -0.85 -3.02 117.98 113.53 2kb2 s PHE 50 Ca 0.36 -1.07 -0.10 0.00 0.12 0.00 0.00 56.93 56.24 2kb2 s PHE 50 Cb 0.08 -1.16 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 2kb2 s PHE 50 CO 0.19 -0.65 0.16 0.12 -0.10 0.00 0.00 175.22 174.95 2kb2 s PHE 51 N 1.75 3.26 -0.13 0.36 5.36 -0.94 -0.86 117.98 126.77 2kb2 s PHE 51 Ca -0.02 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 2kb2 s PHE 51 Cb -0.17 -2.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.21 2kb2 s PHE 51 CO -0.07 -0.05 -0.19 -1.14 -1.46 0.00 0.00 175.22 172.31 2kb2 s GLN 52 N 1.37 2.68 -0.35 10.12 2.00 0.24 0.43 119.66 136.15 2kb2 s GLN 52 Ca 0.07 -0.73 -0.15 0.00 -2.00 0.00 0.00 55.36 52.56 2kb2 s GLN 52 Cb -0.15 -2.24 -0.01 0.00 0.80 0.00 0.00 33.01 31.42 2kb2 s GLN 52 CO 0.07 -0.07 0.33 0.08 -0.50 0.00 0.00 175.29 175.20 2kb2 s VAL 53 N 0.98 5.20 -0.08 1.34 1.01 0.57 -1.77 120.40 127.66 2kb2 s VAL 53 Ca -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2kb2 s VAL 53 Cb -0.15 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2kb2 s VAL 53 CO -0.04 -0.10 -0.15 -0.22 0.00 0.00 0.00 175.10 174.59 2kb2 s LEU 54 N 1.92 2.63 -0.01 3.92 2.96 0.87 -1.54 118.68 129.43 2kb2 s LEU 54 Ca 0.10 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 2kb2 s LEU 54 Cb -0.17 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2kb2 s LEU 54 CO 0.11 0.26 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.61 2kb2 s GLU 55 N -0.24 1.46 0.00 1.98 0.41 0.26 -0.81 118.70 121.75 2kb2 s GLU 55 Ca 0.01 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 2kb2 s GLU 55 Cb -0.13 -1.42 0.00 0.00 -1.78 0.00 0.00 34.13 30.79 2kb2 s GLU 55 CO 0.03 0.39 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 2kb2 n GLY 56 N 2.56 0.63 3.71 -1.39 0.00 0.15 -1.22 105.19 109.64 2kb2 n GLY 56 Ca -0.15 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 2.06 0.91 -0.21 2.61 -2.24 -1.26 0.77 114.28 116.92 2kb2 n THR 57 Ca 0.00 -0.23 0.22 0.00 -2.27 0.00 0.00 64.05 61.78 2kb2 n THR 57 Cb 0.00 -1.76 0.59 0.00 -2.10 0.00 0.00 70.33 67.06 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 4.70 0.25 -0.59 -0.78 4.81 -1.86 0.25 114.58 121.37 2kb2 h GLU 58 Ca -0.46 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2kb2 h GLU 58 Cb 1.24 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2kb2 h GLU 58 CO 0.79 0.16 0.17 1.05 -0.73 0.00 0.00 179.01 180.45 2kb2 h GLU 59 N 0.25 0.89 0.07 1.92 4.11 -1.98 -0.10 114.58 119.74 2kb2 h GLU 59 Ca 0.45 -0.17 -0.29 0.00 0.07 0.00 0.00 59.36 59.42 2kb2 h GLU 59 Cb 1.34 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 30.48 2kb2 h GLU 59 CO -0.12 0.78 -1.17 0.00 0.07 0.00 0.00 179.01 178.57 2kb2 h ALA 60 N 1.32 0.05 -0.67 1.06 0.00 -0.93 -3.01 119.26 117.09 2kb2 h ALA 60 Ca 0.19 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2kb2 h ALA 60 Cb 0.27 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2kb2 h ALA 60 CO -0.01 0.70 0.34 -0.07 0.00 0.00 0.00 179.25 180.21 2kb2 h LEU 61 N 0.32 0.86 0.88 0.00 3.38 -0.87 0.35 115.31 120.23 2kb2 h LEU 61 Ca -0.17 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2kb2 h LEU 61 Cb 1.83 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 42.37 2kb2 h LEU 61 CO 0.23 0.74 -0.42 -0.08 0.09 0.00 0.00 178.44 178.99 2kb2 h GLU 62 N 0.92 -1.13 -0.71 1.13 4.57 -1.09 0.13 114.58 118.40 2kb2 h GLU 62 Ca 0.23 0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.59 2kb2 h GLU 62 Cb 0.09 0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 2kb2 h GLU 62 CO -0.03 -0.75 0.35 0.77 -1.18 0.00 0.00 179.01 178.16 2kb2 h SER 63 N -1.22 0.44 0.43 1.04 0.02 -1.48 0.15 113.55 112.93 2kb2 h SER 63 Ca -0.12 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2kb2 h SER 63 Cb 0.91 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2kb2 h SER 63 CO 0.20 0.24 -0.21 0.25 -1.14 0.00 0.00 176.83 176.17 2kb2 h LEU 64 N 0.58 -0.49 -1.89 5.07 7.12 -0.81 0.15 115.31 125.04 2kb2 h LEU 64 Ca 0.36 0.02 0.23 0.00 0.13 0.00 0.00 57.88 58.61 2kb2 h LEU 64 Cb 0.40 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 2kb2 h LEU 64 CO -0.28 -0.33 0.68 0.15 -0.13 0.00 0.00 178.44 178.52 2kb2 h PHE 65 N -0.61 0.00 0.00 1.25 3.57 -0.60 1.02 116.94 121.58 2kb2 h PHE 65 Ca -0.06 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.25 2kb2 h PHE 65 Cb 0.44 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2kb2 h PHE 65 CO 0.12 0.00 -0.90 0.77 -2.23 0.00 0.00 178.31 176.07 2kb2 h SER 66 N 0.00 0.01 0.59 0.41 0.02 -0.28 -2.73 113.55 111.58 2kb2 h SER 66 Ca 0.38 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.20 2kb2 h SER 66 Cb 1.74 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.26 2kb2 h SER 66 CO -0.00 0.90 -0.53 -0.33 -1.14 0.00 0.00 176.83 175.73 2kb2 h GLU 67 N 0.00 0.00 0.39 3.45 4.39 0.31 -3.12 114.58 120.01 2kb2 h GLU 67 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kb2 h GLU 67 Cb 1.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2kb2 h GLU 67 CO 0.12 0.53 -0.19 0.82 -1.16 0.00 0.00 179.01 179.13 2kb2 h ILE 68 N 0.00 0.52 0.00 3.13 5.03 -1.00 -2.90 117.51 122.30 2kb2 h ILE 68 Ca -0.01 -0.55 0.00 0.00 -0.12 0.00 0.00 64.86 64.19 2kb2 h ILE 68 Cb 0.97 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 2kb2 h ILE 68 CO 0.07 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.63 2kb2 n GLN 69 N -5.18 0.00 -0.33 2.37 6.02 -1.04 -0.23 117.38 118.99 2kb2 n GLN 69 Ca -0.10 0.46 0.09 0.00 -0.01 0.00 0.00 57.00 57.44 2kb2 n GLN 69 Cb 0.28 -1.51 0.26 0.00 1.02 0.00 0.00 30.24 30.29 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kb2 n SER 70 N -1.52 3.20 -4.91 1.08 2.88 -1.10 -4.93 113.62 108.32 2kb2 n SER 70 Ca 0.01 -2.08 -0.29 0.00 -1.33 0.00 0.00 58.87 55.17 2kb2 n SER 70 Cb 0.03 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.05 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kb2 s ASP 71 N -0.95 6.43 -0.05 -3.46 1.01 0.68 -5.04 116.67 115.29 2kb2 s ASP 71 Ca 0.38 0.50 -0.00 0.00 0.71 0.00 0.00 52.55 54.14 2kb2 s ASP 71 Cb 0.21 -2.05 -0.26 0.00 1.01 0.00 0.00 42.92 41.83 2kb2 s ASP 71 CO 0.24 -0.01 0.63 1.55 0.21 0.00 0.00 175.17 177.79 2kb2 h PRO 72 N 2.33 0.19 0.00 8.23 0.13 -1.91 -3.42 132.00 137.54 2kb2 h PRO 72 Ca -0.47 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2kb2 h PRO 72 Cb 1.18 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kb2 h PRO 72 CO 0.70 0.98 0.00 -2.13 -0.23 0.00 0.00 178.00 177.32 2kb2 n ARG 73 N -3.35 0.00 0.00 0.86 0.63 -1.26 -4.69 116.66 108.85 2kb2 n ARG 73 Ca -0.22 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2kb2 n ARG 73 Cb 1.05 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 33.02 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 -0.72 -0.67 0.20 -0.14 1.44 -1.26 -3.75 115.22 110.32 2kb2 n HIS 74 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kb2 n HIS 74 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -1.34 -1.40 1.85 -1.26 -4.67 116.66 109.83 2kb2 n ARG 75 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 2kb2 n ARG 75 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 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 -3.39 6.13 -4.61 2.89 2.03 -1.26 -4.84 116.55 113.51 2kb2 n ASP 76 Ca 0.00 -3.00 -0.43 0.00 0.52 0.00 0.00 54.79 51.88 2kb2 n ASP 76 Cb 0.00 -1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 39.10 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 -1.35 3.91 0.00 5.18 0.11 -1.24 -3.80 120.40 123.20 2kb2 s VAL 77 Ca 0.61 0.95 0.08 0.00 -2.93 0.00 0.00 61.98 60.69 2kb2 s VAL 77 Cb 0.36 -4.15 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 2kb2 s VAL 77 CO -0.16 -0.68 -0.26 -0.69 -3.33 0.00 0.00 175.10 169.98 2kb2 s VAL 78 N 5.34 2.10 -0.30 2.04 1.01 -0.22 -4.91 120.40 125.45 2kb2 s VAL 78 Ca 0.62 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2kb2 s VAL 78 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2kb2 s VAL 78 CO 0.31 0.51 1.82 -0.70 0.00 0.00 0.00 175.10 177.04 2kb2 s GLU 79 N -0.82 3.38 -0.01 2.72 2.12 -1.26 -2.00 118.70 122.83 2kb2 s GLU 79 Ca 0.11 1.52 -0.04 0.00 0.36 0.00 0.00 54.97 56.92 2kb2 s GLU 79 Cb -0.10 -4.20 -0.28 0.00 0.26 0.00 0.00 34.13 29.82 2kb2 s GLU 79 CO 0.00 -1.81 0.82 -0.07 -0.54 0.00 0.00 175.26 173.67 2kb2 h LEU 80 N 13.55 0.40 -8.25 2.70 4.07 0.75 -3.48 115.31 125.04 2kb2 h LEU 80 Ca -0.35 -0.58 -0.09 0.00 0.08 0.00 0.00 57.88 56.95 2kb2 h LEU 80 Cb 1.17 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 42.71 2kb2 h LEU 80 CO 1.02 1.48 -0.07 -0.32 -1.08 0.00 0.00 178.44 179.47 2kb2 s MET 81 N -2.61 1.70 0.00 1.13 1.75 0.11 -4.91 119.30 116.47 2kb2 s MET 81 Ca -0.10 -1.35 0.00 0.00 -1.25 0.00 0.00 55.69 52.99 2kb2 s MET 81 Cb 0.07 0.49 0.00 0.00 2.84 0.00 0.00 34.83 38.23 2kb2 s MET 81 CO 0.85 -0.72 0.00 -2.13 -0.65 0.00 0.00 175.02 172.37 2kb2 n ARG 82 N -0.44 0.00 -4.37 4.11 0.63 -1.09 -1.67 116.66 113.84 2kb2 n ARG 82 Ca -0.02 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.61 2kb2 n ARG 82 Cb 0.61 0.00 -0.12 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 3.89 0.58 6.15 2.15 -0.83 -4.89 116.67 123.71 2kb2 s ASP 83 Ca 0.00 -0.53 -0.18 0.00 0.43 0.00 0.00 52.55 52.27 2kb2 s ASP 83 Cb 0.00 -0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 42.02 2kb2 s ASP 83 CO 0.00 0.19 1.15 -0.31 -0.17 0.00 0.00 175.17 176.03 2kb2 s TYR 84 N -1.11 2.55 0.35 -5.34 2.02 -1.26 -0.06 117.35 114.51 2kb2 s TYR 84 Ca 0.17 1.54 -0.10 0.00 -0.37 0.00 0.00 57.07 58.32 2kb2 s TYR 84 Cb -0.11 -3.34 0.03 0.00 -0.40 0.00 0.00 41.96 38.15 2kb2 s TYR 84 CO 0.09 -1.83 0.63 -1.12 -1.57 0.00 0.00 175.55 171.75 2kb2 s SER 85 N -1.86 0.40 0.00 2.29 0.01 0.65 -4.77 113.70 110.43 2kb2 s SER 85 Ca 0.73 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2kb2 s SER 85 Cb -0.25 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2kb2 s SER 85 CO 0.32 -1.47 0.33 0.00 0.41 0.00 0.00 173.24 172.83 2kb2 n ALA 86 N -0.53 0.86 -3.24 1.44 0.00 -1.26 -0.55 120.51 117.23 2kb2 n ALA 86 Ca -0.04 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 2kb2 n ALA 86 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -0.37 -0.02 0.00 1.13 -1.26 -4.77 117.35 112.05 2kb2 s TYR 87 Ca 0.00 0.30 -0.07 0.00 -1.41 0.00 0.00 57.07 55.88 2kb2 s TYR 87 Cb 0.00 0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 41.15 2kb2 s TYR 87 CO 0.00 -0.68 0.25 1.03 -2.51 0.00 0.00 175.55 173.64 2kb2 s ARG 88 N -2.93 3.58 -0.21 -3.49 0.52 -1.26 -4.95 118.95 110.20 2kb2 s ARG 88 Ca -0.03 -0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2kb2 s ARG 88 Cb -0.00 -3.12 -0.13 0.00 0.52 0.00 0.00 34.95 32.23 2kb2 s ARG 88 CO -0.06 0.68 -0.21 0.54 0.02 0.00 0.00 175.30 176.27 2kb2 n ARG 89 N 1.36 0.51 -0.85 3.54 5.12 -1.26 -4.51 116.66 120.57 2kb2 n ARG 89 Ca -0.13 0.14 -0.11 0.00 -1.93 0.00 0.00 57.85 55.82 2kb2 n ARG 89 Cb 0.53 -1.39 -0.02 0.00 -1.16 0.00 0.00 32.46 30.42 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 -3.35 0.76 -1.59 -1.55 3.01 -1.26 -3.53 117.46 109.95 2kb2 n PHE 90 Ca -0.39 -1.55 -0.55 0.00 1.01 0.00 0.00 57.45 55.97 2kb2 n PHE 90 Cb 0.87 -0.95 -0.07 0.00 -0.01 0.00 0.00 39.48 39.32 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2kb2 n HIS 91 N 1.16 1.88 0.00 1.38 -0.00 -1.26 -1.20 115.22 117.18 2kb2 n HIS 91 Ca 0.24 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.84 2kb2 n HIS 91 Cb 0.60 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 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 5.20 3.20 3.36 1.57 0.00 -1.26 -5.00 105.19 112.26 2kb2 n GLY 92 Ca 0.33 -0.91 -0.46 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.08 5.12 0.37 2.61 2.01 -0.34 -4.90 115.64 120.43 2kb2 s THR 93 Ca 0.00 -1.64 0.05 0.00 0.31 0.00 0.00 61.69 60.41 2kb2 s THR 93 Cb 0.00 -4.50 0.22 0.00 0.01 0.00 0.00 72.50 68.22 2kb2 s THR 93 CO 0.00 -1.11 1.97 1.23 -0.69 0.00 0.00 174.62 176.02 2kb2 h GLY 94 N 9.16 0.62 -5.30 4.40 0.00 -1.77 -3.13 103.07 107.06 2kb2 h GLY 94 Ca -0.10 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 46.98 2kb2 h GLY 94 CO 0.98 0.28 0.21 -0.29 0.00 0.00 0.00 176.54 177.72 2kb2 s MET 95 N -5.30 0.62 -0.27 4.80 1.75 -1.24 -0.66 119.30 118.98 2kb2 s MET 95 Ca -0.08 0.93 0.00 0.00 -1.25 0.00 0.00 55.69 55.29 2kb2 s MET 95 Cb 0.17 0.20 0.16 0.00 2.84 0.00 0.00 34.83 38.19 2kb2 s MET 95 CO 0.75 -0.11 0.45 0.50 -0.65 0.00 0.00 175.02 175.96 2kb2 s ARG 96 N 1.06 0.43 0.94 4.11 3.00 -1.21 -4.49 118.95 122.79 2kb2 s ARG 96 Ca -0.05 0.49 -0.10 0.00 -1.00 0.00 0.00 55.73 55.06 2kb2 s ARG 96 Cb -0.05 -0.16 0.16 0.00 0.00 0.00 0.00 34.95 34.90 2kb2 s ARG 96 CO -0.12 -0.81 1.14 -1.50 0.00 0.00 0.00 175.30 174.01 2kb2 s ILE 97 N 2.63 2.03 -0.41 4.11 -1.16 -1.26 -1.33 121.20 125.82 2kb2 s ILE 97 Ca 0.13 0.01 0.01 0.00 -0.51 0.00 0.00 60.65 60.29 2kb2 s ILE 97 Cb -0.14 -2.02 0.14 0.00 0.61 0.00 0.00 42.46 41.05 2kb2 s ILE 97 CO -0.23 -0.01 0.23 -0.22 -2.81 0.00 0.00 174.94 171.90 2kb2 s LEU 98 N -6.68 2.13 -0.88 8.50 2.96 0.25 -4.71 118.68 120.27 2kb2 s LEU 98 Ca 0.67 -2.50 -0.26 0.00 -0.22 0.00 0.00 54.13 51.82 2kb2 s LEU 98 Cb -0.23 -0.82 -0.16 0.00 0.50 0.00 0.00 46.19 45.48 2kb2 s LEU 98 CO 0.59 -0.28 2.31 -0.62 -1.32 0.00 0.00 176.35 177.03 2kb2 s ASP 99 N 0.56 3.81 0.60 3.68 2.15 -1.26 -1.98 116.67 124.22 2kb2 s ASP 99 Ca 0.18 -0.27 0.30 0.00 0.43 0.00 0.00 52.55 53.20 2kb2 s ASP 99 Cb -0.23 -2.56 1.77 0.00 -0.30 0.00 0.00 42.92 41.59 2kb2 s ASP 99 CO -0.00 -4.09 2.16 -0.07 -0.17 0.00 0.00 175.17 173.00 2kb2 h LEU 100 N 22.34 0.00 -1.39 -1.34 3.38 -0.02 0.11 115.31 138.40 2kb2 h LEU 100 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 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 1.02 0.00 0.16 0.03 0.09 0.00 0.00 178.44 179.74 2kb2 h ARG 101 N 0.00 0.00 0.04 1.13 2.47 -1.84 -1.04 114.38 115.14 2kb2 h ARG 101 Ca 0.05 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.43 2kb2 h ARG 101 Cb 0.33 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 2kb2 h ARG 101 CO -0.00 0.00 -1.92 1.28 0.56 0.00 0.00 179.97 179.89 2kb2 n LEU 102 N -2.31 2.29 0.00 3.04 4.77 0.39 -5.01 117.00 120.17 2kb2 n LEU 102 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2kb2 n LEU 102 Cb 0.19 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2kb2 n LEU 102 CO 0.09 0.61 0.00 0.49 -1.33 0.00 0.00 177.39 177.25 2kb2 n PHE 103 N -3.93 0.00 -2.41 -1.77 3.72 -0.39 -5.06 117.46 107.61 2kb2 n PHE 103 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2kb2 n PHE 103 Cb 0.88 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 0.43 -1.08 0.28 -1.26 -4.84 120.64 114.17 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 0.10 0.00 3.84 2.02 -1.92 0.15 112.91 117.10 2kb2 h THR 105 Ca 0.00 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 2kb2 h THR 105 Cb 0.00 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2kb2 h THR 105 CO 0.00 0.01 -0.43 -0.78 0.37 0.00 0.00 175.52 174.68 2kb2 h ASP 106 N -1.22 0.00 -0.05 4.18 1.82 -1.98 -2.59 116.42 116.58 2kb2 h ASP 106 Ca -0.11 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.48 2kb2 h ASP 106 Cb 0.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2kb2 h ASP 106 CO 0.18 0.43 -0.15 1.23 -1.61 0.00 0.00 179.24 179.33 2kb2 h GLY 107 N 3.09 0.20 0.65 -0.78 0.00 -1.92 -2.45 103.07 101.86 2kb2 h GLY 107 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2kb2 h GLY 107 CO 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 176.54 176.80 2kb2 h ALA 108 N 0.43 0.09 -0.55 3.60 0.00 -0.77 -2.39 119.26 119.67 2kb2 h ALA 108 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2kb2 h ALA 108 Cb 0.77 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2kb2 h ALA 108 CO 0.03 -0.16 0.07 1.25 0.00 0.00 0.00 179.25 180.43 2kb2 h LEU 109 N -0.26 -0.10 -1.12 0.00 5.85 -1.57 0.13 115.31 118.24 2kb2 h LEU 109 Ca 0.01 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 109 Cb 0.47 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 2kb2 h LEU 109 CO 0.01 -0.03 0.60 -0.33 -0.34 0.00 0.00 178.44 178.35 2kb2 h GLU 110 N 0.19 0.96 -0.10 1.25 4.39 -1.37 -2.09 114.58 117.81 2kb2 h GLU 110 Ca 0.28 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.96 2kb2 h GLU 110 Cb 0.42 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 2kb2 h GLU 110 CO -0.40 0.64 -0.40 0.93 -1.16 0.00 0.00 179.01 178.61 2kb2 h GLU 111 N 0.99 -0.48 -0.53 2.33 4.39 -0.21 0.77 114.58 121.84 2kb2 h GLU 111 Ca 0.42 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.26 2kb2 h GLU 111 Cb 0.33 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.98 2kb2 h GLU 111 CO -0.18 -0.32 -0.30 0.82 -1.16 0.00 0.00 179.01 177.87 2kb2 h ILE 112 N -0.50 0.23 -0.59 3.13 5.03 -1.05 -1.33 117.51 122.43 2kb2 h ILE 112 Ca 0.07 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.89 2kb2 h ILE 112 Cb 0.62 0.23 -0.07 0.00 -3.03 0.00 0.00 36.82 34.57 2kb2 h ILE 112 CO -0.37 0.00 0.24 -0.07 -0.68 0.00 0.00 178.15 177.27 2kb2 h LEU 113 N -0.17 0.27 -1.62 1.44 -0.00 -0.98 0.41 115.31 114.66 2kb2 h LEU 113 Ca 0.22 0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 58.14 2kb2 h LEU 113 Cb 0.53 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2kb2 h LEU 113 CO -0.62 0.17 -0.03 0.08 -0.00 0.00 0.00 178.44 178.04 2kb2 h ARG 114 N 0.44 0.20 -0.10 1.13 0.11 0.26 -2.88 114.38 113.54 2kb2 h ARG 114 Ca 0.29 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2kb2 h ARG 114 Cb 0.32 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.36 2kb2 h ARG 114 CO -0.27 0.25 0.00 1.97 0.10 0.00 0.00 179.97 182.03 2kb2 n PHE 115 N -4.39 0.18 -4.38 4.08 1.16 -0.96 -5.02 117.46 108.13 2kb2 n PHE 115 Ca -0.01 -0.62 -0.20 0.00 -1.87 0.00 0.00 57.45 54.76 2kb2 n PHE 115 Cb 0.18 -0.08 -0.09 0.00 -1.61 0.00 0.00 39.48 37.87 2kb2 n PHE 115 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2kb2 s SER 116 N -1.40 1.79 -0.28 5.98 0.01 0.14 -4.87 113.70 115.08 2kb2 s SER 116 Ca 0.14 -1.52 -0.04 0.00 1.31 0.00 0.00 55.95 55.85 2kb2 s SER 116 Cb 0.10 0.29 0.10 0.00 0.21 0.00 0.00 66.02 66.72 2kb2 s SER 116 CO 0.05 -0.82 0.13 0.42 0.41 0.00 0.00 173.24 173.42 2kb2 s THR 117 N -3.53 -0.07 0.00 1.44 -4.23 -1.23 -4.69 115.64 103.33 2kb2 s THR 117 Ca 0.34 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2kb2 s THR 117 Cb 0.06 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.96 2kb2 s THR 117 CO 0.16 -0.68 0.12 0.49 -0.54 0.00 0.00 174.62 174.17 2kb2 n PHE 118 N 5.25 0.00 -1.64 3.99 3.01 -1.26 -4.65 117.46 122.16 2kb2 n PHE 118 Ca -0.06 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.27 2kb2 n PHE 118 Cb 0.43 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 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 0.53 0.75 0.63 1.37 0.00 -1.26 -4.75 105.19 102.47 2kb2 n GLY 119 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2kb2 n GLY 119 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kb2 n VAL 120 N -2.22 0.35 0.00 1.61 0.24 -1.26 -4.85 118.33 112.19 2kb2 n VAL 120 Ca -0.13 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2kb2 n VAL 120 Cb 0.46 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kb2 n THR 121 N 0.05 0.00 -3.65 3.34 -1.04 -1.26 -4.87 114.28 106.86 2kb2 n THR 121 Ca 0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2kb2 n THR 121 Cb 0.35 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.79 2kb2 n THR 121 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2kb2 s GLU 122 N 0.00 0.32 0.18 -2.82 -1.05 -1.26 -5.01 118.70 109.05 2kb2 s GLU 122 Ca 0.00 0.52 0.17 0.00 -0.15 0.00 0.00 54.97 55.50 2kb2 s GLU 122 Cb 0.00 0.08 0.78 0.00 -0.44 0.00 0.00 34.13 34.55 2kb2 s GLU 122 CO 0.00 -0.06 1.51 -2.30 0.95 0.00 0.00 175.26 175.36 2kb2 n PRO 123 N 3.33 0.10 0.00 -4.83 -0.02 -1.26 -3.56 135.00 128.77 2kb2 n PRO 123 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2kb2 n PRO 123 Cb 0.57 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.97 0.00 0.00 -1.45 0.31 -1.26 -2.78 118.33 111.19 2kb2 n VAL 124 Ca 0.01 0.75 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 2kb2 n VAL 124 Cb 0.11 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.31 0.00 -4.55 4.52 2.04 -1.25 -4.56 115.26 111.15 2kb2 n ASN 125 Ca 0.00 0.31 -0.26 0.00 -0.44 0.00 0.00 54.58 54.18 2kb2 n ASN 125 Cb 0.00 -0.31 -0.05 0.00 -2.53 0.00 0.00 39.78 36.90 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2kb2 s ASP 126 N -2.59 4.31 0.45 0.53 2.15 -1.12 -4.77 116.67 115.62 2kb2 s ASP 126 Ca 0.00 0.48 0.23 0.00 0.43 0.00 0.00 52.55 53.69 2kb2 s ASP 126 Cb 0.00 -2.53 1.23 0.00 -0.30 0.00 0.00 42.92 41.32 2kb2 s ASP 126 CO 0.00 -3.25 1.82 -0.09 -0.17 0.00 0.00 175.17 173.48 2kb2 h ARG 127 N 15.89 0.27 -0.45 4.34 9.65 -1.87 0.26 114.38 142.47 2kb2 h ARG 127 Ca -0.12 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.61 2kb2 h ARG 127 Cb 1.13 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 2kb2 h ARG 127 CO 1.10 0.18 -0.25 1.98 2.80 0.00 0.00 179.97 185.78 2kb2 h MET 128 N 0.27 0.96 0.00 0.20 1.85 -1.94 -2.89 114.93 113.39 2kb2 h MET 128 Ca 0.52 -0.43 -0.07 0.00 -0.61 0.00 0.00 59.70 59.11 2kb2 h MET 128 Cb 1.55 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.55 2kb2 h MET 128 CO -0.17 1.10 -0.34 0.35 -0.40 0.00 0.00 176.91 177.45 2kb2 h PHE 129 N 0.80 0.00 -0.64 1.39 3.57 -0.80 0.10 116.94 121.36 2kb2 h PHE 129 Ca 0.10 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2kb2 h PHE 129 Cb 0.83 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2kb2 h PHE 129 CO 0.06 0.34 0.37 0.00 -2.23 0.00 0.00 178.31 176.84 2kb2 h ARG 130 N 0.00 0.67 0.01 1.11 2.47 -1.00 0.06 114.38 117.69 2kb2 h ARG 130 Ca -0.00 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2kb2 h ARG 130 Cb 0.74 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2kb2 h ARG 130 CO 0.04 0.44 -0.19 -0.07 0.56 0.00 0.00 179.97 180.75 2kb2 h LEU 131 N 0.69 0.02 -0.62 3.04 3.38 -1.52 -3.07 115.31 117.23 2kb2 h LEU 131 Ca 0.28 -0.94 0.08 0.00 0.09 0.00 0.00 57.88 57.39 2kb2 h LEU 131 Cb 0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 2kb2 h LEU 131 CO -0.16 1.08 -0.51 0.25 0.09 0.00 0.00 178.44 179.19 2kb2 h LEU 132 N -0.97 -1.76 -1.45 1.67 5.85 -0.68 0.37 115.31 118.35 2kb2 h LEU 132 Ca -0.05 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 132 Cb 1.07 0.77 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 2kb2 h LEU 132 CO -0.02 -0.34 -0.02 0.77 -0.34 0.00 0.00 178.44 178.49 2kb2 h SER 133 N -0.24 0.00 0.60 1.25 4.64 -1.15 -1.66 113.55 116.99 2kb2 h SER 133 Ca 0.14 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 2kb2 h SER 133 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2kb2 h SER 133 CO -0.72 0.02 -0.74 0.00 -0.87 0.00 0.00 176.83 174.53 2kb2 h ALA 134 N 1.98 0.74 0.03 5.18 0.00 -0.29 0.22 119.26 127.12 2kb2 h ALA 134 Ca -0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2kb2 h ALA 134 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2kb2 h ALA 134 CO 0.00 0.86 -1.36 0.35 0.00 0.00 0.00 179.25 179.10 2kb2 h PHE 135 N 0.07 0.12 -0.14 0.00 3.57 -0.53 0.23 116.94 120.26 2kb2 h PHE 135 Ca -0.02 -0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.25 2kb2 h PHE 135 Cb 1.30 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2kb2 h PHE 135 CO 0.01 1.10 -0.52 0.82 -2.23 0.00 0.00 178.31 177.50 2kb2 h ILE 136 N 0.02 1.34 0.00 1.41 5.03 -1.25 0.13 117.51 124.19 2kb2 h ILE 136 Ca -0.16 -1.77 -0.03 0.00 -0.12 0.00 0.00 64.86 62.78 2kb2 h ILE 136 Cb 1.91 1.80 -0.00 0.00 -3.03 0.00 0.00 36.82 37.50 2kb2 h ILE 136 CO 0.12 0.54 -0.47 0.00 -0.68 0.00 0.00 178.15 177.66 2kb2 h ALA 137 N 1.14 0.03 0.00 1.87 0.00 -0.61 -3.25 119.26 118.44 2kb2 h ALA 137 Ca 0.01 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2kb2 h ALA 137 Cb 1.01 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2kb2 h ALA 137 CO 0.09 0.40 -2.09 -0.25 0.00 0.00 0.00 179.25 177.40 2kb2 n ASP 138 N -4.63 0.07 0.34 0.00 9.92 0.73 -3.67 116.55 119.31 2kb2 n ASP 138 Ca -0.09 0.03 0.21 0.00 -0.53 0.00 0.00 54.79 54.41 2kb2 n ASP 138 Cb 0.26 1.48 1.13 0.00 -0.64 0.00 0.00 41.12 43.36 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 3.98 0.00 0.00 0.44 0.00 0.09 -1.97 103.07 105.61 2kb2 h GLY 139 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2kb2 h GLY 139 CO 0.01 0.00 -0.67 0.61 0.00 0.00 0.00 176.54 176.49 2kb2 n GLY 140 N -1.11 0.19 3.53 4.60 0.00 -1.13 -4.77 105.19 106.50 2kb2 n GLY 140 Ca -0.03 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.36 -1.72 -2.08 1.61 5.12 -0.74 -4.88 116.66 112.60 2kb2 n ARG 141 Ca 0.00 1.19 -0.39 0.00 -1.93 0.00 0.00 57.85 56.72 2kb2 n ARG 141 Cb 0.11 -2.90 -0.01 0.00 -1.16 0.00 0.00 32.46 28.50 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 -2.45 2.84 -0.13 -1.55 1.13 -1.26 -4.95 117.35 111.00 2kb2 s TYR 142 Ca 0.15 1.43 0.18 0.00 -1.41 0.00 0.00 57.07 57.43 2kb2 s TYR 142 Cb -0.02 -3.63 0.28 0.00 -1.10 0.00 0.00 41.96 37.49 2kb2 s TYR 142 CO 0.86 -1.99 1.14 0.00 -2.51 0.00 0.00 175.55 173.06 2kb2 h LEU 144 N 0.00 -1.13-10.25 0.00 7.12 -2.02 -3.43 115.31 105.59 2kb2 h LEU 144 Ca 0.00 0.11 -0.50 0.00 0.13 0.00 0.00 57.88 57.62 2kb2 h LEU 144 Cb 0.99 0.40 0.19 0.00 -0.53 0.00 0.00 40.66 41.71 2kb2 h LEU 144 CO 0.00 -0.52 0.19 -2.16 -0.13 0.00 0.00 178.44 175.82 2kb2 s PRO 145 N -5.95 0.76 -0.24 5.25 0.04 -1.26 -5.02 135.00 128.57 2kb2 s PRO 145 Ca -0.17 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 2kb2 s PRO 145 Cb 0.06 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.90 2kb2 s PRO 145 CO 0.63 -2.74 -0.02 -2.00 0.04 0.00 0.00 177.00 172.90 2kb2 s GLU 146 N -4.65 3.15 0.00 4.56 2.12 -1.26 -5.11 118.70 117.50 2kb2 s GLU 146 Ca 0.66 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2kb2 s GLU 146 Cb -0.22 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2kb2 s GLU 146 CO 0.59 -0.31 0.00 -0.35 -0.54 0.00 0.00 175.26 174.65 2kb2 n PRO 147 N 4.77 0.45 0.00 4.30 -0.04 -1.26 -5.28 135.00 137.93 2kb2 n PRO 147 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2kb2 n PRO 147 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35