#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 n GLU 2 N 0.00 2.25 -1.89 1.61 1.02 -1.26 -5.05 120.64 117.32 2kb2 n GLU 2 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2kb2 n GLU 2 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 2kb2 n GLU 2 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2kb2 s PHE 3 N 1.39 2.43 0.00 -0.32 -0.71 -1.26 -5.03 117.98 114.48 2kb2 s PHE 3 Ca 0.00 1.40 0.00 0.00 -1.04 0.00 0.00 56.93 57.29 2kb2 s PHE 3 Cb 0.00 -3.71 0.00 0.00 -1.21 0.00 0.00 43.02 38.10 2kb2 s PHE 3 CO 0.00 -2.58 0.00 -1.33 -1.34 0.00 0.00 175.22 169.97 2kb2 n MET 4 N -0.84 0.86 -0.49 1.99 2.81 -1.26 -5.02 117.12 115.17 2kb2 n MET 4 Ca 0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.68 2kb2 n MET 4 Cb 0.45 0.00 0.27 0.00 -0.71 0.00 0.00 33.22 33.24 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 0.00 -0.41 0.08 4.03 2.96 -0.34 -4.31 118.68 120.70 2kb2 s LEU 5 Ca 0.00 1.01 -0.23 0.00 -0.22 0.00 0.00 54.13 54.69 2kb2 s LEU 5 Cb 0.00 -2.60 0.06 0.00 0.50 0.00 0.00 46.19 44.15 2kb2 s LEU 5 CO 0.00 -4.93 0.56 -0.89 -1.32 0.00 0.00 176.35 169.77 2kb2 s THR 6 N -2.40 0.02 -0.37 3.68 2.01 0.66 -0.44 115.64 118.80 2kb2 s THR 6 Ca 0.69 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.57 2kb2 s THR 6 Cb -0.16 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.44 2kb2 s THR 6 CO 0.60 -0.08 0.10 -0.89 -0.69 0.00 0.00 174.62 173.65 2kb2 s THR 7 N -2.88 2.07 -0.16 -0.82 2.01 0.15 -0.20 115.64 115.81 2kb2 s THR 7 Ca -0.03 -2.36 -0.20 0.00 0.31 0.00 0.00 61.69 59.41 2kb2 s THR 7 Cb -0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2kb2 s THR 7 CO -0.05 -0.66 0.59 -0.22 -0.69 0.00 0.00 174.62 173.59 2kb2 s LEU 8 N 0.81 4.20 -0.04 4.42 1.98 -0.02 -2.43 118.68 127.60 2kb2 s LEU 8 Ca 0.12 0.86 0.03 0.00 -2.89 0.00 0.00 54.13 52.25 2kb2 s LEU 8 Cb -0.20 -2.85 0.01 0.00 0.66 0.00 0.00 46.19 43.81 2kb2 s LEU 8 CO -0.09 -0.17 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.46 2kb2 s ILE 9 N 1.40 0.93 0.21 6.68 1.01 -0.72 0.18 121.20 130.89 2kb2 s ILE 9 Ca 0.29 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 2kb2 s ILE 9 Cb -0.16 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2kb2 s ILE 9 CO 0.11 0.29 0.17 -0.72 0.00 0.00 0.00 174.94 174.79 2kb2 s TYR 10 N 0.33 1.08 -0.09 3.97 -0.85 -0.84 0.15 117.35 121.09 2kb2 s TYR 10 Ca -0.06 -1.31 -0.06 0.00 -0.52 0.00 0.00 57.07 55.11 2kb2 s TYR 10 Cb -0.11 -0.48 0.03 0.00 0.38 0.00 0.00 41.96 41.78 2kb2 s TYR 10 CO 0.01 -0.68 0.23 -0.98 -1.52 0.00 0.00 175.55 172.61 2kb2 s ARG 11 N -4.14 0.22 0.00 -3.49 1.70 -0.91 -1.04 118.95 111.28 2kb2 s ARG 11 Ca 0.37 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 56.05 2kb2 s ARG 11 Cb 0.06 -0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 2kb2 s ARG 11 CO 0.12 -0.11 0.00 -1.13 -1.08 0.00 0.00 175.30 173.10 2kb2 n SER 12 N 3.68 1.17 0.00 -2.89 3.41 0.09 -0.90 113.62 118.18 2kb2 n SER 12 Ca -0.20 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 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 1.85 -1.10 4.33 6.02 -1.26 -1.67 117.38 125.55 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 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -3.06 5.09 3.14 0.28 -3.78 118.33 120.00 2kb2 n VAL 14 Ca 0.00 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 2kb2 n VAL 14 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 2kb2 s HIS 15 N -4.23 3.22 -0.91 1.45 -3.43 -1.25 -4.75 115.29 105.39 2kb2 s HIS 15 Ca 0.00 -1.38 0.08 0.00 -0.80 0.00 0.00 55.06 52.95 2kb2 s HIS 15 Cb 0.00 -4.11 0.34 0.00 -1.43 0.00 0.00 32.58 27.38 2kb2 s HIS 15 CO 0.00 -1.33 1.24 -0.35 -2.00 0.00 0.00 174.74 172.29 2kb2 n PRO 16 N 5.94 0.02 -0.07 -0.38 -0.04 -1.26 -2.75 135.00 136.46 2kb2 n PRO 16 Ca 0.12 0.43 -0.11 0.00 -0.04 0.00 0.00 63.50 63.90 2kb2 n PRO 16 Cb 0.47 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 2kb2 n PRO 16 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kb2 n ASP 17 N -1.60 2.74 -4.78 3.54 2.03 -1.26 -5.03 116.55 112.18 2kb2 n ASP 17 Ca 0.01 -0.06 -0.29 0.00 0.52 0.00 0.00 54.79 54.97 2kb2 n ASP 17 Cb 0.07 -0.25 0.13 0.00 -0.72 0.00 0.00 41.12 40.35 2kb2 n ASP 17 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kb2 s ARG 18 N -2.29 1.35 1.18 -0.67 0.52 -1.11 -5.04 118.95 112.89 2kb2 s ARG 18 Ca -0.20 0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.27 2kb2 s ARG 18 Cb 0.05 -1.85 0.28 0.00 0.52 0.00 0.00 34.95 33.95 2kb2 s ARG 18 CO 0.33 -2.08 1.04 -1.25 0.02 0.00 0.00 175.30 173.36 2kb2 s PRO 19 N -5.21 -1.03 1.13 3.54 0.04 -1.26 -4.85 135.00 127.35 2kb2 s PRO 19 Ca 0.63 0.42 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 2kb2 s PRO 19 Cb -0.15 -1.58 0.22 0.00 0.04 0.00 0.00 34.50 33.04 2kb2 s PRO 19 CO 0.54 -3.69 0.75 -2.30 0.04 0.00 0.00 177.00 172.33 2kb2 n PRO 20 N -4.83 -2.00 -3.40 0.56 -0.02 -1.26 -4.88 135.00 119.17 2kb2 n PRO 20 Ca 0.07 -0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 60.69 2kb2 n PRO 20 Cb 0.57 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.38 4.99 -1.43 -1.45 1.01 -1.26 -4.98 120.40 114.89 2kb2 s VAL 21 Ca 0.65 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 2kb2 s VAL 21 Cb -0.22 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.55 2kb2 s VAL 21 CO 0.65 -0.17 2.56 -0.90 0.00 0.00 0.00 175.10 177.24 2kb2 n ASP 22 N -0.44 8.08 0.00 3.32 5.68 -1.26 -4.74 116.55 127.18 2kb2 n ASP 22 Ca -0.01 -2.94 0.00 0.00 -0.50 0.00 0.00 54.79 51.35 2kb2 n ASP 22 Cb 0.53 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2kb2 n LEU 23 N 2.55 0.00 -0.12 -2.12 4.77 -1.26 0.17 117.00 120.99 2kb2 n LEU 23 Ca 0.67 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.46 2kb2 n LEU 23 Cb 0.25 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2kb2 n LEU 23 CO 0.76 0.00 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.88 2kb2 n ASP 24 N -0.71 2.08 0.08 -1.43 2.03 -1.26 -4.22 116.55 113.11 2kb2 n ASP 24 Ca 0.00 0.01 -0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kb2 n ASP 24 Cb 0.00 -0.47 -0.04 0.00 -0.72 0.00 0.00 41.12 39.89 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb2 h ALA 25 N -0.27 0.63 -0.40 -1.67 0.00 -0.28 -2.81 119.26 114.46 2kb2 h ALA 25 Ca -0.54 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 53.54 2kb2 h ALA 25 Cb 1.70 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2kb2 h ALA 25 CO -0.17 0.86 -0.21 1.25 0.00 0.00 0.00 179.25 180.98 2kb2 h LEU 26 N 0.00 0.87 0.00 0.00 6.46 0.14 -2.88 115.31 119.91 2kb2 h LEU 26 Ca -0.09 -0.41 -0.15 0.00 -0.12 0.00 0.00 57.88 57.12 2kb2 h LEU 26 Cb 1.54 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.20 2kb2 h LEU 26 CO 0.06 1.09 -1.03 1.62 -0.62 0.00 0.00 178.44 179.56 2kb2 h VAL 27 N 0.66 0.72 0.63 1.05 3.04 -1.73 -3.34 116.25 117.27 2kb2 h VAL 27 Ca 0.09 -2.18 -0.03 0.00 -1.01 0.00 0.00 66.70 63.57 2kb2 h VAL 27 Cb 0.77 2.24 0.01 0.00 -2.01 0.00 0.00 31.29 32.29 2kb2 h VAL 27 CO 0.06 0.41 -0.30 -0.74 -1.01 0.00 0.00 177.57 175.99 2kb2 h HIS 28 N 0.00 -0.78 -0.05 3.17 6.17 -1.41 -0.11 115.15 122.14 2kb2 h HIS 28 Ca -0.09 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 60.99 2kb2 h HIS 28 Cb 1.52 0.26 -0.00 0.00 2.52 0.00 0.00 27.41 31.71 2kb2 h HIS 28 CO 0.00 -0.48 0.06 0.00 0.71 0.00 0.00 177.93 178.22 2kb2 h ARG 29 N -0.87 0.00 0.01 5.26 -0.00 -1.67 -2.75 114.38 114.36 2kb2 h ARG 29 Ca -0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 2kb2 h ARG 29 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.63 2kb2 h ARG 29 CO 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 179.97 180.11 2kb2 h ALA 30 N 1.94 -0.01 -0.86 0.04 0.00 -1.59 -3.28 119.26 115.50 2kb2 h ALA 30 Ca 0.03 -0.38 0.18 0.00 0.00 0.00 0.00 54.91 54.74 2kb2 h ALA 30 Cb 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 2kb2 h ALA 30 CO -0.00 -0.04 0.39 1.03 0.00 0.00 0.00 179.25 180.64 2kb2 h SER 31 N -0.96 0.38 0.23 0.00 0.87 -0.77 0.18 113.55 113.48 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 0.77 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2kb2 h SER 31 CO 0.00 0.08 -0.19 0.77 -0.53 0.00 0.00 176.83 176.97 2kb2 h SER 32 N 0.48 0.00 0.08 6.23 4.64 -1.62 -1.04 113.55 122.32 2kb2 h SER 32 Ca 0.51 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.59 2kb2 h SER 32 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2kb2 h SER 32 CO -0.46 0.19 -1.22 0.50 -0.87 0.00 0.00 176.83 174.97 2kb2 h LYS 33 N 0.00 0.17 -0.42 4.77 3.11 -0.80 -3.38 116.57 120.02 2kb2 h LYS 33 Ca -0.00 -0.30 -0.12 0.00 -2.81 0.00 0.00 60.65 57.42 2kb2 h LYS 33 Cb 0.35 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2kb2 h LYS 33 CO 0.02 1.14 -0.22 -0.91 -2.81 0.00 0.00 179.45 176.68 2kb2 h ASN 34 N -0.51 0.87 -0.03 4.20 2.35 -0.92 -2.85 115.58 118.69 2kb2 h ASN 34 Ca -0.27 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.18 2kb2 h ASN 34 Cb 1.59 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.67 2kb2 h ASN 34 CO 0.01 1.05 -0.53 0.25 -1.65 0.00 0.00 177.43 176.56 2kb2 h LEU 35 N 0.74 -1.64 -1.45 1.61 5.85 -1.30 0.26 115.31 119.39 2kb2 h LEU 35 Ca 0.10 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 2kb2 h LEU 35 Cb 0.75 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2kb2 h LEU 35 CO 0.06 -0.50 -0.25 1.55 -0.34 0.00 0.00 178.44 178.96 2kb2 h PRO 36 N -0.64 0.00 0.00 5.25 0.13 -1.74 -2.34 132.00 132.67 2kb2 h PRO 36 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2kb2 h PRO 36 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 2kb2 h PRO 36 CO -0.37 0.25 -0.10 -0.07 -0.23 0.00 0.00 178.00 177.47 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.05 -3.46 115.31 116.43 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 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2kb2 h LEU 37 CO 0.03 0.10 0.00 0.61 -1.08 0.00 0.00 178.44 178.11 2kb2 n GLY 38 N 0.44 0.75 3.85 0.83 0.00 0.63 -4.99 105.19 106.70 2kb2 n GLY 38 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.23 4.76 0.03 -0.61 1.01 0.47 -4.74 121.20 119.90 2kb2 s ILE 39 Ca 0.00 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.41 2kb2 s ILE 39 Cb 0.00 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2kb2 s ILE 39 CO 0.00 -0.05 0.13 0.42 0.00 0.00 0.00 174.94 175.45 2kb2 s THR 40 N -1.81 0.12 -2.27 2.92 -4.23 -0.23 -3.89 115.64 106.25 2kb2 s THR 40 Ca 0.49 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2kb2 s THR 40 Cb -0.12 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2kb2 s THR 40 CO 0.19 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 2kb2 n GLY 41 N 0.85 -0.59 3.30 3.99 0.00 -0.78 0.58 105.19 112.55 2kb2 n GLY 41 Ca -0.20 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 0.34 -0.61 2.07 -0.72 -3.65 121.20 115.69 2kb2 s ILE 42 Ca 0.00 -0.54 0.09 0.00 -1.41 0.00 0.00 60.65 58.79 2kb2 s ILE 42 Cb 0.00 -0.98 -0.06 0.00 0.13 0.00 0.00 42.46 41.55 2kb2 s ILE 42 CO 0.00 -0.30 -0.07 -0.76 -1.91 0.00 0.00 174.94 171.90 2kb2 s LEU 43 N -2.12 2.79 0.02 8.50 1.43 -0.09 -0.61 118.68 128.61 2kb2 s LEU 43 Ca -0.04 -1.15 -0.04 0.00 -1.03 0.00 0.00 54.13 51.87 2kb2 s LEU 43 Cb -0.00 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 2kb2 s LEU 43 CO -0.04 -0.21 0.05 -0.76 0.23 0.00 0.00 176.35 175.62 2kb2 s LEU 44 N -3.64 1.95 -0.14 1.79 1.02 0.15 0.87 118.68 120.68 2kb2 s LEU 44 Ca 0.33 -0.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.95 2kb2 s LEU 44 Cb 0.02 0.40 0.05 0.00 0.02 0.00 0.00 46.19 46.68 2kb2 s LEU 44 CO 0.17 -0.39 0.35 0.12 0.02 0.00 0.00 176.35 176.62 2kb2 s PHE 45 N -1.86 -0.48 0.00 0.29 5.36 -0.69 -2.20 117.98 118.39 2kb2 s PHE 45 Ca -0.12 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 2kb2 s PHE 45 Cb -0.06 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2kb2 s PHE 45 CO -0.02 -0.29 0.89 0.27 -1.46 0.00 0.00 175.22 174.62 2kb2 n ASN 46 N 4.08 1.75 0.00 6.13 0.23 -1.20 0.67 115.26 126.92 2kb2 n ASN 46 Ca -0.23 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 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 -0.40 0.54 0.00 4.83 0.00 -1.26 -4.73 105.19 104.17 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 -4.58 0.99 -0.00 -1.26 -4.92 117.00 107.23 2kb2 n LEU 48 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 2kb2 n LEU 48 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2kb2 n LEU 48 CO 0.00 0.00 -0.29 -1.10 -0.00 0.00 0.00 177.39 176.00 2kb2 s GLN 49 N -1.00 1.88 -0.16 1.96 -0.21 -1.26 -0.56 119.66 120.32 2kb2 s GLN 49 Ca 0.00 -2.06 -0.02 0.00 0.02 0.00 0.00 55.36 53.30 2kb2 s GLN 49 Cb 0.00 -1.47 0.05 0.00 1.00 0.00 0.00 33.01 32.59 2kb2 s GLN 49 CO 0.00 -0.07 0.02 -0.06 -2.12 0.00 0.00 175.29 173.06 2kb2 s PHE 50 N -2.84 1.02 -0.19 0.91 0.08 -0.67 -3.21 117.98 113.09 2kb2 s PHE 50 Ca 0.35 -0.71 -0.06 0.00 0.12 0.00 0.00 56.93 56.63 2kb2 s PHE 50 Cb 0.09 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2kb2 s PHE 50 CO 0.17 -0.54 0.04 0.12 -0.10 0.00 0.00 175.22 174.91 2kb2 s PHE 51 N 1.86 3.16 -0.06 0.36 2.19 -0.94 -0.73 117.98 123.83 2kb2 s PHE 51 Ca 0.01 -0.10 0.02 0.00 0.33 0.00 0.00 56.93 57.19 2kb2 s PHE 51 Cb -0.16 -2.07 0.01 0.00 -1.31 0.00 0.00 43.02 39.49 2kb2 s PHE 51 CO -0.07 0.02 -0.12 -1.14 1.83 0.00 0.00 175.22 175.74 2kb2 s GLN 52 N 0.57 1.58 -0.43 10.12 0.74 -0.21 0.32 119.66 132.36 2kb2 s GLN 52 Ca 0.02 -0.41 -0.14 0.00 0.05 0.00 0.00 55.36 54.88 2kb2 s GLN 52 Cb -0.13 -1.34 0.05 0.00 1.10 0.00 0.00 33.01 32.69 2kb2 s GLN 52 CO 0.02 0.06 0.32 0.08 -0.55 0.00 0.00 175.29 175.21 2kb2 s VAL 53 N 0.55 5.04 -0.12 1.34 1.01 0.22 -1.99 120.40 126.45 2kb2 s VAL 53 Ca -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 2kb2 s VAL 53 Cb -0.14 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2kb2 s VAL 53 CO 0.03 -0.42 0.04 -0.76 0.00 0.00 0.00 175.10 173.99 2kb2 s LEU 54 N 1.62 3.79 -0.08 3.92 1.02 0.13 -1.76 118.68 127.32 2kb2 s LEU 54 Ca 0.04 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.39 2kb2 s LEU 54 Cb -0.21 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.10 2kb2 s LEU 54 CO 0.07 0.32 -0.14 -1.61 0.02 0.00 0.00 176.35 175.02 2kb2 s GLU 55 N -0.53 1.92 0.00 1.70 0.41 0.20 -0.84 118.70 121.55 2kb2 s GLU 55 Ca 0.10 -0.48 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 2kb2 s GLU 55 Cb -0.12 -1.60 0.00 0.00 -1.78 0.00 0.00 34.13 30.64 2kb2 s GLU 55 CO 0.02 0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 2kb2 n GLY 56 N 3.93 0.55 3.69 -1.39 0.00 0.72 -1.07 105.19 111.63 2kb2 n GLY 56 Ca -0.21 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.11 2.04 -0.16 2.61 -2.24 -1.26 -0.24 114.28 113.91 2kb2 n THR 57 Ca 0.00 -0.50 0.28 0.00 -2.27 0.00 0.00 64.05 61.56 2kb2 n THR 57 Cb 0.00 -1.52 0.72 0.00 -2.10 0.00 0.00 70.33 67.43 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 2.47 0.00 -0.29 -0.78 4.81 -1.84 0.30 114.58 119.24 2kb2 h GLU 58 Ca -0.46 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 2kb2 h GLU 58 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2kb2 h GLU 58 CO 0.62 0.00 -0.36 1.05 -0.73 0.00 0.00 179.01 179.59 2kb2 h GLU 59 N 0.00 0.66 0.07 1.92 4.11 -1.94 -1.77 114.58 117.63 2kb2 h GLU 59 Ca 0.42 -0.32 -0.29 0.00 0.07 0.00 0.00 59.36 59.23 2kb2 h GLU 59 Cb 1.74 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.02 2kb2 h GLU 59 CO -0.00 0.92 -1.17 0.00 0.07 0.00 0.00 179.01 178.83 2kb2 h ALA 60 N 1.04 0.05 -0.47 1.06 0.00 -0.81 -3.16 119.26 116.98 2kb2 h ALA 60 Ca 0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2kb2 h ALA 60 Cb 0.88 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2kb2 h ALA 60 CO 0.08 0.69 0.19 -0.07 0.00 0.00 0.00 179.25 180.13 2kb2 h LEU 61 N 0.33 0.65 0.54 0.00 3.38 -1.16 0.49 115.31 119.54 2kb2 h LEU 61 Ca -0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2kb2 h LEU 61 Cb 1.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2kb2 h LEU 61 CO 0.23 0.64 -0.43 -0.08 0.09 0.00 0.00 178.44 178.89 2kb2 h GLU 62 N 0.62 -0.92 -0.26 1.13 4.57 -1.41 0.19 114.58 118.50 2kb2 h GLU 62 Ca 0.16 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2kb2 h GLU 62 Cb 0.20 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2kb2 h GLU 62 CO -0.01 -0.61 0.17 0.77 -1.18 0.00 0.00 179.01 178.15 2kb2 h SER 63 N -0.95 0.29 0.89 1.04 0.02 -1.53 -0.18 113.55 113.14 2kb2 h SER 63 Ca -0.06 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2kb2 h SER 63 Cb 0.81 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2kb2 h SER 63 CO -0.00 0.21 -0.47 0.25 -1.14 0.00 0.00 176.83 175.68 2kb2 h LEU 64 N 0.35 -1.14 -1.70 5.07 7.12 -0.80 0.69 115.31 124.89 2kb2 h LEU 64 Ca 0.09 0.05 0.19 0.00 0.13 0.00 0.00 57.88 58.35 2kb2 h LEU 64 Cb -0.04 0.31 -0.05 0.00 -0.53 0.00 0.00 40.66 40.35 2kb2 h LEU 64 CO -0.02 -0.77 0.55 0.15 -0.13 0.00 0.00 178.44 178.22 2kb2 h PHE 65 N -1.25 0.34 0.00 1.25 3.57 -0.61 0.68 116.94 120.92 2kb2 h PHE 65 Ca -0.12 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 2kb2 h PHE 65 Cb 0.98 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2kb2 h PHE 65 CO -0.04 0.10 -0.30 1.03 -2.23 0.00 0.00 178.31 176.87 2kb2 h SER 66 N 0.27 0.00 0.87 0.41 0.87 -0.29 -2.67 113.55 113.00 2kb2 h SER 66 Ca 0.40 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.80 2kb2 h SER 66 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2kb2 h SER 66 CO -0.10 0.30 -0.78 -0.33 -0.53 0.00 0.00 176.83 175.39 2kb2 h GLU 67 N 0.00 0.00 0.31 2.24 4.39 0.27 -3.22 114.58 118.57 2kb2 h GLU 67 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kb2 h GLU 67 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2kb2 h GLU 67 CO 0.04 0.78 -0.15 0.82 -1.16 0.00 0.00 179.01 179.34 2kb2 h ILE 68 N 0.00 0.70 0.00 3.13 5.03 -0.86 -2.74 117.51 122.76 2kb2 h ILE 68 Ca -0.01 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 2kb2 h ILE 68 Cb 1.43 0.95 0.00 0.00 -3.03 0.00 0.00 36.82 36.17 2kb2 h ILE 68 CO 0.10 0.10 0.00 0.00 -0.68 0.00 0.00 178.15 177.67 2kb2 n GLN 69 N -5.16 0.02 -0.40 2.37 6.02 -1.07 -0.50 117.38 118.66 2kb2 n GLN 69 Ca -0.10 0.44 0.07 0.00 -0.01 0.00 0.00 57.00 57.40 2kb2 n GLN 69 Cb 0.25 -1.54 0.25 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.58 3.35 -4.87 1.08 2.88 -1.04 -4.91 113.62 108.53 2kb2 n SER 70 Ca 0.01 -2.23 -0.35 0.00 -1.33 0.00 0.00 58.87 54.97 2kb2 n SER 70 Cb 0.06 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.01 2kb2 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kb2 s ASP 71 N -0.84 6.56 0.31 -3.46 -1.08 0.35 -5.01 116.67 113.49 2kb2 s ASP 71 Ca 0.36 0.65 0.23 0.00 -0.52 0.00 0.00 52.55 53.27 2kb2 s ASP 71 Cb 0.22 -2.13 0.17 0.00 -1.46 0.00 0.00 42.92 39.73 2kb2 s ASP 71 CO 0.20 0.25 1.32 1.55 0.52 0.00 0.00 175.17 179.01 2kb2 h PRO 72 N 4.08 0.00 0.00 4.34 0.13 -1.91 -3.41 132.00 135.23 2kb2 h PRO 72 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kb2 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb2 h PRO 72 CO 0.65 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.29 2kb2 n ARG 73 N -2.85 0.00 0.00 0.86 0.63 -1.26 -4.81 116.66 109.22 2kb2 n ARG 73 Ca 0.02 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2kb2 n ARG 73 Cb 0.54 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.54 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 -0.42 -0.41 0.19 -0.14 1.44 -1.26 -3.92 115.22 110.69 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 -0.94 -1.40 1.85 -1.26 -4.69 116.66 110.22 2kb2 n ARG 75 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2kb2 n ARG 75 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 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 -3.36 5.85 -4.65 2.89 2.03 -1.26 -4.82 116.55 113.22 2kb2 n ASP 76 Ca 0.00 -2.76 -0.43 0.00 0.52 0.00 0.00 54.79 52.12 2kb2 n ASP 76 Cb 0.00 -1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 39.17 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 -0.81 3.87 -0.02 5.18 0.11 -1.24 -3.84 120.40 123.66 2kb2 s VAL 77 Ca 0.38 1.04 0.03 0.00 -2.93 0.00 0.00 61.98 60.50 2kb2 s VAL 77 Cb 0.23 -3.72 -0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2kb2 s VAL 77 CO -0.05 -0.15 -0.12 0.54 -3.33 0.00 0.00 175.10 171.99 2kb2 s VAL 78 N 4.09 0.97 -0.22 2.04 0.11 -0.08 -4.91 120.40 122.40 2kb2 s VAL 78 Ca 0.66 -0.49 -0.28 0.00 -2.93 0.00 0.00 61.98 58.94 2kb2 s VAL 78 Cb -0.27 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2kb2 s VAL 78 CO 0.24 0.29 2.10 -0.70 -3.33 0.00 0.00 175.10 173.70 2kb2 s GLU 79 N -0.03 3.26 -0.01 1.54 2.12 -1.26 -2.15 118.70 122.17 2kb2 s GLU 79 Ca 0.00 1.94 -0.12 0.00 0.36 0.00 0.00 54.97 57.16 2kb2 s GLU 79 Cb -0.07 -4.31 -0.32 0.00 0.26 0.00 0.00 34.13 29.68 2kb2 s GLU 79 CO 0.00 -1.95 0.83 -0.07 -0.54 0.00 0.00 175.26 173.53 2kb2 h LEU 80 N 14.40 0.68 -8.28 2.70 3.38 0.99 -3.48 115.31 125.70 2kb2 h LEU 80 Ca -0.40 -0.87 -0.10 0.00 0.09 0.00 0.00 57.88 56.60 2kb2 h LEU 80 Cb 1.22 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2kb2 h LEU 80 CO 0.97 1.71 -0.10 -0.32 0.09 0.00 0.00 178.44 180.80 2kb2 s MET 81 N -2.59 1.69 0.00 1.13 1.75 0.84 -4.94 119.30 117.18 2kb2 s MET 81 Ca -0.12 -1.38 0.00 0.00 -1.25 0.00 0.00 55.69 52.94 2kb2 s MET 81 Cb 0.05 0.48 0.00 0.00 2.84 0.00 0.00 34.83 38.20 2kb2 s MET 81 CO 0.89 -0.71 0.00 -2.13 -0.65 0.00 0.00 175.02 172.42 2kb2 n ARG 82 N -0.44 0.00 -4.65 4.11 0.63 -1.13 -1.75 116.66 113.43 2kb2 n ARG 82 Ca -0.02 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.63 2kb2 n ARG 82 Cb 0.62 0.00 -0.14 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 2.98 0.29 6.15 2.15 -1.02 -4.89 116.67 122.33 2kb2 s ASP 83 Ca 0.00 -0.63 -0.29 0.00 0.43 0.00 0.00 52.55 52.06 2kb2 s ASP 83 Cb 0.00 -0.24 -0.10 0.00 -0.30 0.00 0.00 42.92 42.29 2kb2 s ASP 83 CO 0.00 0.19 1.29 -0.31 -0.17 0.00 0.00 175.17 176.17 2kb2 s TYR 84 N -0.91 3.17 0.24 -5.34 2.02 -1.26 0.32 117.35 115.58 2kb2 s TYR 84 Ca 0.11 1.38 0.03 0.00 -0.37 0.00 0.00 57.07 58.21 2kb2 s TYR 84 Cb -0.10 -3.62 -0.05 0.00 -0.40 0.00 0.00 41.96 37.79 2kb2 s TYR 84 CO 0.03 -1.75 0.03 -1.12 -1.57 0.00 0.00 175.55 171.18 2kb2 s SER 85 N -0.29 1.62 0.00 2.29 0.01 0.41 -4.84 113.70 112.89 2kb2 s SER 85 Ca 0.51 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2kb2 s SER 85 Cb -0.38 0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2kb2 s SER 85 CO 0.47 -0.59 0.48 0.00 0.41 0.00 0.00 173.24 174.01 2kb2 n ALA 86 N -0.44 1.56 -3.34 1.44 0.00 -1.26 -1.20 120.51 117.28 2kb2 n ALA 86 Ca -0.03 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.78 2kb2 n ALA 86 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.21 -0.43 -0.27 0.00 1.13 -1.26 -4.93 117.35 111.38 2kb2 s TYR 87 Ca 0.00 0.60 -0.17 0.00 -1.41 0.00 0.00 57.07 56.09 2kb2 s TYR 87 Cb 0.00 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 2kb2 s TYR 87 CO 0.00 -0.58 0.46 1.03 -2.51 0.00 0.00 175.55 173.95 2kb2 s ARG 88 N -1.88 4.02 0.17 -3.49 0.52 -1.26 -4.95 118.95 112.07 2kb2 s ARG 88 Ca -0.08 0.18 -0.07 0.00 -0.52 0.00 0.00 55.73 55.23 2kb2 s ARG 88 Cb -0.01 -3.66 0.03 0.00 0.52 0.00 0.00 34.95 31.83 2kb2 s ARG 88 CO 0.03 -0.34 1.47 0.00 0.02 0.00 0.00 175.30 176.48 2kb2 h ARG 89 N 8.11 0.72 -4.97 3.54 2.47 -1.97 -3.41 114.38 118.86 2kb2 h ARG 89 Ca -0.30 -0.44 -0.64 0.00 -1.26 0.00 0.00 59.98 57.35 2kb2 h ARG 89 Cb 1.15 0.04 -0.18 0.00 -1.65 0.00 0.00 29.97 29.33 2kb2 h ARG 89 CO 0.69 1.06 -0.55 -0.06 0.56 0.00 0.00 179.97 181.66 2kb2 s PHE 90 N -4.11 3.20 0.00 3.04 0.40 -1.26 -3.59 117.98 115.66 2kb2 s PHE 90 Ca -0.09 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2kb2 s PHE 90 Cb 0.11 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2kb2 s PHE 90 CO 0.86 -0.16 0.00 1.58 0.70 0.00 0.00 175.22 178.21 2kb2 n HIS 91 N 4.78 0.00 -0.54 0.36 -0.00 -1.26 -4.69 115.22 113.86 2kb2 n HIS 91 Ca -0.15 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.02 2kb2 n HIS 91 Cb 0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.37 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 2.47 2.51 3.04 1.57 0.00 -1.26 -4.42 105.19 109.10 2kb2 n GLY 92 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 0.17 -0.90 0.15 2.61 2.01 -1.26 -5.02 115.64 113.40 2kb2 s THR 93 Ca 0.07 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 2kb2 s THR 93 Cb 0.04 -0.10 0.03 0.00 0.01 0.00 0.00 72.50 72.47 2kb2 s THR 93 CO 0.00 -0.09 1.70 1.23 -0.69 0.00 0.00 174.62 176.76 2kb2 h GLY 94 N 6.50 0.77 -5.51 4.40 0.00 -1.83 -3.14 103.07 104.26 2kb2 h GLY 94 Ca 0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2kb2 h GLY 94 CO 0.10 0.40 -0.26 -0.29 0.00 0.00 0.00 176.54 176.49 2kb2 s MET 95 N -5.54 0.44 -0.28 4.80 1.75 -1.26 -1.86 119.30 117.36 2kb2 s MET 95 Ca -0.13 0.79 0.01 0.00 -1.25 0.00 0.00 55.69 55.10 2kb2 s MET 95 Cb 0.11 0.04 0.16 0.00 2.84 0.00 0.00 34.83 37.98 2kb2 s MET 95 CO 0.77 -0.14 0.45 0.50 -0.65 0.00 0.00 175.02 175.96 2kb2 s ARG 96 N 1.19 0.44 0.80 4.11 3.00 -1.24 -4.70 118.95 122.55 2kb2 s ARG 96 Ca -0.08 0.45 -0.11 0.00 -1.00 0.00 0.00 55.73 55.00 2kb2 s ARG 96 Cb -0.07 -0.15 0.08 0.00 0.00 0.00 0.00 34.95 34.81 2kb2 s ARG 96 CO -0.11 -0.85 1.12 -1.50 0.00 0.00 0.00 175.30 173.96 2kb2 s ILE 97 N 2.63 2.88 -0.49 4.11 -1.16 -1.26 -0.91 121.20 127.01 2kb2 s ILE 97 Ca 0.12 0.30 0.03 0.00 -0.51 0.00 0.00 60.65 60.60 2kb2 s ILE 97 Cb -0.13 -2.65 0.14 0.00 0.61 0.00 0.00 42.46 40.42 2kb2 s ILE 97 CO -0.24 -0.36 0.29 -0.22 -2.81 0.00 0.00 174.94 171.61 2kb2 s LEU 98 N -6.00 3.10 -1.00 8.50 2.96 0.25 -4.73 118.68 121.77 2kb2 s LEU 98 Ca 0.64 -2.90 -0.26 0.00 -0.22 0.00 0.00 54.13 51.39 2kb2 s LEU 98 Cb -0.20 -1.15 -0.19 0.00 0.50 0.00 0.00 46.19 45.15 2kb2 s LEU 98 CO 0.55 -0.23 2.20 -1.81 -1.32 0.00 0.00 176.35 175.74 2kb2 s ASP 99 N -0.02 3.62 0.62 3.68 1.11 -1.26 -1.70 116.67 122.71 2kb2 s ASP 99 Ca 0.20 -0.68 0.33 0.00 0.18 0.00 0.00 52.55 52.58 2kb2 s ASP 99 Cb -0.19 -2.58 1.88 0.00 1.07 0.00 0.00 42.92 43.10 2kb2 s ASP 99 CO -0.04 -4.45 2.18 -0.07 1.18 0.00 0.00 175.17 173.97 2kb2 h LEU 100 N 22.28 0.00 -1.24 1.23 3.38 -0.11 0.49 115.31 141.33 2kb2 h LEU 100 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 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 0.18 0.03 0.09 0.00 0.00 178.44 179.76 2kb2 h ARG 101 N 0.00 0.00 0.02 1.13 2.47 -1.83 -0.95 114.38 115.21 2kb2 h ARG 101 Ca 0.04 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.36 2kb2 h ARG 101 Cb 0.30 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.56 2kb2 h ARG 101 CO -0.00 0.00 -2.34 1.28 0.56 0.00 0.00 179.97 179.47 2kb2 n LEU 102 N -2.23 2.49 0.00 3.04 4.77 0.16 -5.02 117.00 120.21 2kb2 n LEU 102 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2kb2 n LEU 102 Cb 0.21 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2kb2 n LEU 102 CO 0.08 0.75 0.00 0.49 -1.33 0.00 0.00 177.39 177.38 2kb2 n PHE 103 N -3.73 0.00 -2.63 -1.77 3.72 -0.36 -5.06 117.46 107.63 2kb2 n PHE 103 Ca -0.46 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 2kb2 n PHE 103 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 -4.82 120.64 114.19 2kb2 n GLU 104 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 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 0.16 0.00 3.84 2.02 -1.94 0.24 112.91 117.23 2kb2 h THR 105 Ca 0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 2kb2 h THR 105 Cb 0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2kb2 h THR 105 CO 0.00 0.00 -0.43 -0.78 0.37 0.00 0.00 175.52 174.69 2kb2 h ASP 106 N -1.15 0.00 -0.03 4.18 1.82 -1.98 -2.83 116.42 116.44 2kb2 h ASP 106 Ca -0.11 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 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 -0.10 1.23 -1.61 0.00 0.00 179.24 179.37 2kb2 h GLY 107 N 3.56 0.14 0.69 -0.78 0.00 -1.91 -2.41 103.07 102.35 2kb2 h GLY 107 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2kb2 h GLY 107 CO 0.06 0.16 -0.06 0.00 0.00 0.00 0.00 176.54 176.70 2kb2 h ALA 108 N 0.41 -0.17 -0.82 3.60 0.00 -0.62 -2.09 119.26 119.58 2kb2 h ALA 108 Ca -0.00 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.90 2kb2 h ALA 108 Cb 0.72 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 2kb2 h ALA 108 CO 0.02 -0.44 0.37 1.25 0.00 0.00 0.00 179.25 180.45 2kb2 h LEU 109 N -0.48 0.38 -1.08 0.00 5.85 -1.62 0.37 115.31 118.74 2kb2 h LEU 109 Ca -0.02 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2kb2 h LEU 109 Cb 0.39 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2kb2 h LEU 109 CO 0.03 0.13 0.62 -0.33 -0.34 0.00 0.00 178.44 178.55 2kb2 h GLU 110 N 0.50 1.13 0.10 1.25 4.39 -1.27 -2.64 114.58 118.04 2kb2 h GLU 110 Ca 0.46 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 60.11 2kb2 h GLU 110 Cb 0.71 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 2kb2 h GLU 110 CO -0.41 0.75 -0.46 0.93 -1.16 0.00 0.00 179.01 178.66 2kb2 h GLU 111 N 1.16 -0.65 -0.46 2.33 4.39 0.45 0.45 114.58 122.25 2kb2 h GLU 111 Ca 0.39 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.21 2kb2 h GLU 111 Cb 0.08 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 28.78 2kb2 h GLU 111 CO -0.13 -0.44 -0.46 0.82 -1.16 0.00 0.00 179.01 177.64 2kb2 h ILE 112 N -0.68 0.08 -1.00 3.13 5.03 -1.14 0.11 117.51 123.03 2kb2 h ILE 112 Ca 0.02 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.95 2kb2 h ILE 112 Cb 0.71 0.08 -0.10 0.00 -3.03 0.00 0.00 36.82 34.47 2kb2 h ILE 112 CO -0.27 0.00 0.61 -0.07 -0.68 0.00 0.00 178.15 177.74 2kb2 h LEU 113 N -0.32 0.78 -1.48 1.44 4.07 -1.17 0.24 115.31 118.88 2kb2 h LEU 113 Ca 0.13 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 2kb2 h LEU 113 Cb 0.58 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2kb2 h LEU 113 CO -0.61 0.28 0.08 0.03 -1.08 0.00 0.00 178.44 177.14 2kb2 h ARG 114 N 0.76 0.42 0.00 1.13 3.08 0.14 -3.03 114.38 116.89 2kb2 h ARG 114 Ca 0.57 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.54 2kb2 h ARG 114 Cb 0.89 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 2kb2 h ARG 114 CO -0.37 0.39 -0.49 1.97 -1.07 0.00 0.00 179.97 180.40 2kb2 n PHE 115 N -4.38 0.00 -4.42 3.04 1.16 -0.17 -5.04 117.46 107.66 2kb2 n PHE 115 Ca 0.01 -1.27 -0.21 0.00 -1.87 0.00 0.00 57.45 54.12 2kb2 n PHE 115 Cb 0.16 -0.22 -0.10 0.00 -1.61 0.00 0.00 39.48 37.72 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 -2.98 2.05 -0.42 5.98 0.01 0.66 -4.92 113.70 114.08 2kb2 s SER 116 Ca 0.36 -1.47 0.10 0.00 1.31 0.00 0.00 55.95 56.25 2kb2 s SER 116 Cb 0.35 0.17 0.33 0.00 0.21 0.00 0.00 66.02 67.09 2kb2 s SER 116 CO -0.07 -0.75 0.75 0.35 0.41 0.00 0.00 173.24 173.94 2kb2 n THR 117 N -0.67 0.47 -0.74 1.44 -2.24 -1.24 -4.86 114.28 106.45 2kb2 n THR 117 Ca -0.02 -4.74 -0.08 0.00 -2.27 0.00 0.00 64.05 56.94 2kb2 n THR 117 Cb 0.66 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.32 0.00 0.51 4.78 -1.74 -1.26 -4.59 117.46 115.47 2kb2 n PHE 118 Ca 0.26 -1.17 0.00 0.00 -0.56 0.00 0.00 57.45 55.98 2kb2 n PHE 118 Cb 0.59 -1.19 0.00 0.00 1.52 0.00 0.00 39.48 40.40 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2kb2 n GLY 119 N 2.34 0.72 3.24 4.97 0.00 -1.26 -4.82 105.19 110.37 2kb2 n GLY 119 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 0.23 0.00 0.31 1.61 0.24 -1.26 -4.93 118.33 114.53 2kb2 n VAL 120 Ca 0.00 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.05 2kb2 n VAL 120 Cb 0.12 -0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 31.45 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2kb2 h THR 121 N -3.46 0.43 -1.86 3.34 2.02 -2.03 -3.45 112.91 107.91 2kb2 h THR 121 Ca -0.43 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 66.75 2kb2 h THR 121 Cb 1.30 0.47 -0.21 0.00 -1.74 0.00 0.00 68.15 67.97 2kb2 h THR 121 CO 0.28 0.01 -0.05 -1.83 0.37 0.00 0.00 175.52 174.30 2kb2 s GLU 122 N -5.85 0.56 0.00 6.66 -1.05 -1.26 -5.01 118.70 112.75 2kb2 s GLU 122 Ca -0.17 1.31 0.03 0.00 -0.15 0.00 0.00 54.97 56.00 2kb2 s GLU 122 Cb 0.03 0.69 0.18 0.00 -0.44 0.00 0.00 34.13 34.60 2kb2 s GLU 122 CO 0.61 -0.18 0.90 -0.35 0.95 0.00 0.00 175.26 177.19 2kb2 n PRO 123 N 5.18 0.06 0.00 -4.83 -0.04 -1.26 -3.66 135.00 130.44 2kb2 n PRO 123 Ca -0.13 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kb2 n PRO 123 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.25 0.00 1.15 0.52 0.31 -1.26 -2.59 118.33 115.21 2kb2 n VAL 124 Ca 0.02 1.24 0.10 0.00 -0.01 0.00 0.00 64.34 65.69 2kb2 n VAL 124 Cb 0.03 -2.09 0.57 0.00 -0.91 0.00 0.00 33.84 31.43 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 -1.45 0.00 -4.57 4.52 0.23 -1.24 -4.66 115.26 108.09 2kb2 n ASN 125 Ca 0.00 -0.41 -0.39 0.00 -0.53 0.00 0.00 54.58 53.26 2kb2 n ASN 125 Cb 0.00 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.57 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 -2.21 4.84 0.46 0.53 2.15 -1.07 -4.81 116.67 116.57 2kb2 s ASP 126 Ca 0.26 1.33 0.28 0.00 0.43 0.00 0.00 52.55 54.85 2kb2 s ASP 126 Cb 0.14 -2.51 1.34 0.00 -0.30 0.00 0.00 42.92 41.59 2kb2 s ASP 126 CO 0.26 -2.53 1.76 0.03 -0.17 0.00 0.00 175.17 174.52 2kb2 h ARG 127 N 17.75 0.18 -0.10 4.34 2.47 -1.87 0.87 114.38 138.02 2kb2 h ARG 127 Ca -0.30 -0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.32 2kb2 h ARG 127 Cb 1.25 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2kb2 h ARG 127 CO 1.09 0.12 -0.29 1.98 0.56 0.00 0.00 179.97 183.43 2kb2 h MET 128 N 0.19 0.38 0.00 0.04 1.85 -1.93 -3.18 114.93 112.28 2kb2 h MET 128 Ca 0.62 -0.27 -0.06 0.00 -0.61 0.00 0.00 59.70 59.38 2kb2 h MET 128 Cb 2.00 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 34.07 2kb2 h MET 128 CO -0.19 0.89 -0.29 0.35 -0.40 0.00 0.00 176.91 177.27 2kb2 h PHE 129 N -0.07 0.00 -0.79 1.39 3.57 -1.15 0.86 116.94 120.76 2kb2 h PHE 129 Ca -0.01 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2kb2 h PHE 129 Cb 0.91 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 2kb2 h PHE 129 CO 0.11 0.29 0.47 0.00 -2.23 0.00 0.00 178.31 176.95 2kb2 h ARG 130 N 0.00 0.81 0.00 1.11 2.47 -1.13 -0.13 114.38 117.52 2kb2 h ARG 130 Ca -0.00 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2kb2 h ARG 130 Cb 0.54 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2kb2 h ARG 130 CO 0.04 0.54 -0.13 -0.07 0.56 0.00 0.00 179.97 180.91 2kb2 h LEU 131 N 0.84 0.00 -0.64 3.04 3.38 -1.50 -2.97 115.31 117.47 2kb2 h LEU 131 Ca 0.35 -0.86 0.09 0.00 0.09 0.00 0.00 57.88 57.55 2kb2 h LEU 131 Cb 0.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 2kb2 h LEU 131 CO -0.19 1.01 -0.47 0.25 0.09 0.00 0.00 178.44 179.13 2kb2 h LEU 132 N -1.00 -1.64 -1.37 1.67 5.85 -0.70 0.40 115.31 118.53 2kb2 h LEU 132 Ca -0.03 0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2kb2 h LEU 132 Cb 0.95 0.74 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 2kb2 h LEU 132 CO -0.02 -0.33 -0.02 0.77 -0.34 0.00 0.00 178.44 178.50 2kb2 h SER 133 N -0.21 0.00 0.72 1.25 4.64 -1.18 -2.29 113.55 116.48 2kb2 h SER 133 Ca 0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 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 -0.73 0.02 -0.62 0.00 -0.87 0.00 0.00 176.83 174.63 2kb2 h ALA 134 N 1.98 0.90 0.04 5.18 0.00 -0.12 0.24 119.26 127.47 2kb2 h ALA 134 Ca -0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 54.91 54.08 2kb2 h ALA 134 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2kb2 h ALA 134 CO 0.00 0.78 -1.39 0.35 0.00 0.00 0.00 179.25 179.00 2kb2 h PHE 135 N 0.00 0.14 -0.11 0.00 3.57 -0.67 0.25 116.94 120.12 2kb2 h PHE 135 Ca -0.01 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.23 2kb2 h PHE 135 Cb 1.15 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2kb2 h PHE 135 CO 0.00 1.12 -0.62 0.82 -2.23 0.00 0.00 178.31 177.40 2kb2 h ILE 136 N 0.02 1.36 0.00 1.41 5.03 -1.32 0.71 117.51 124.72 2kb2 h ILE 136 Ca -0.17 -1.96 -0.04 0.00 -0.12 0.00 0.00 64.86 62.57 2kb2 h ILE 136 Cb 1.92 1.96 -0.01 0.00 -3.03 0.00 0.00 36.82 37.66 2kb2 h ILE 136 CO 0.12 0.59 -0.51 0.00 -0.68 0.00 0.00 178.15 177.67 2kb2 h ALA 137 N 1.05 0.05 0.00 1.87 0.00 -0.59 -3.31 119.26 118.33 2kb2 h ALA 137 Ca -0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2kb2 h ALA 137 Cb 1.16 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2kb2 h ALA 137 CO 0.11 0.42 -2.04 -0.25 0.00 0.00 0.00 179.25 177.48 2kb2 n ASP 138 N -4.62 0.02 0.00 0.00 9.92 0.80 -4.28 116.55 118.39 2kb2 n ASP 138 Ca -0.10 0.01 0.03 0.00 -0.53 0.00 0.00 54.79 54.20 2kb2 n ASP 138 Cb 0.30 1.80 0.19 0.00 -0.64 0.00 0.00 41.12 42.76 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kb2 n GLY 139 N 1.34 -0.25 0.24 0.44 0.00 0.24 -2.73 105.19 104.47 2kb2 n GLY 139 Ca -0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2kb2 n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kb2 h GLY 140 N 1.32 0.88 -5.25 -0.02 0.00 -1.74 -3.44 103.07 94.80 2kb2 h GLY 140 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 47.33 46.28 2kb2 h GLY 140 CO 0.00 0.94 -0.99 0.54 0.00 0.00 0.00 176.54 177.04 2kb2 n ARG 141 N -3.98 -3.48 -2.62 4.80 3.00 -1.11 -4.99 116.66 108.28 2kb2 n ARG 141 Ca -0.05 2.67 -0.22 0.00 -0.01 0.00 0.00 57.85 60.25 2kb2 n ARG 141 Cb 0.64 -3.55 0.06 0.00 0.00 0.00 0.00 32.46 29.61 2kb2 n ARG 141 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2kb2 s TYR 142 N -0.43 2.51 0.00 -1.55 1.51 -1.26 -5.01 117.35 113.12 2kb2 s TYR 142 Ca -0.16 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2kb2 s TYR 142 Cb 0.01 -2.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.05 2kb2 s TYR 142 CO 0.43 -1.10 0.00 0.00 -1.11 0.00 0.00 175.55 173.77 2kb2 n LEU 144 N 0.00 -0.50 -4.73 0.00 -0.00 -1.26 -5.10 117.00 105.41 2kb2 n LEU 144 Ca 0.00 0.51 -0.41 0.00 -0.00 0.00 0.00 56.01 56.11 2kb2 n LEU 144 Cb 0.11 0.68 -0.03 0.00 -0.00 0.00 0.00 43.42 44.18 2kb2 n LEU 144 CO 0.00 -0.70 0.88 -2.84 -0.00 0.00 0.00 177.39 174.73 2kb2 s PRO 145 N -2.00 4.49 -0.21 1.96 0.02 -1.26 -5.03 135.00 132.97 2kb2 s PRO 145 Ca 0.00 1.85 -0.09 0.00 0.02 0.00 0.00 61.00 62.78 2kb2 s PRO 145 Cb 0.00 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 2kb2 s PRO 145 CO 0.00 -0.10 0.11 -2.00 -0.33 0.00 0.00 177.00 174.68 2kb2 s GLU 146 N -0.04 4.02 0.11 5.54 2.12 -1.26 -4.98 118.70 124.21 2kb2 s GLU 146 Ca 0.53 -0.31 0.26 0.00 0.36 0.00 0.00 54.97 55.82 2kb2 s GLU 146 Cb -0.32 -3.37 0.98 0.00 0.26 0.00 0.00 34.13 31.68 2kb2 s GLU 146 CO 0.35 0.17 1.80 -0.35 -0.54 0.00 0.00 175.26 176.69 2kb2 n PRO 147 N 3.89 0.13 0.00 4.30 -0.04 -1.26 -5.25 135.00 136.77 2kb2 n PRO 147 Ca -0.16 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2kb2 n PRO 147 Cb 0.52 -1.66 0.40 0.00 -0.04 0.00 0.00 33.50 32.72 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35