#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 2.54 -0.42 1.61 8.01 -1.26 -5.08 118.70 124.10 2kb2 s GLU 2 Ca 0.00 -1.14 -0.04 0.00 0.01 0.00 0.00 54.97 53.80 2kb2 s GLU 2 Cb 0.00 -2.61 0.11 0.00 -4.31 0.00 0.00 34.13 27.32 2kb2 s GLU 2 CO 0.00 -0.62 0.23 0.12 0.01 0.00 0.00 175.26 175.00 2kb2 s PHE 3 N -2.61 3.56 1.01 1.61 2.19 -1.26 -5.09 117.98 117.39 2kb2 s PHE 3 Ca 0.58 -2.33 -0.17 0.00 0.33 0.00 0.00 56.93 55.33 2kb2 s PHE 3 Cb -0.09 -3.27 0.24 0.00 -1.31 0.00 0.00 43.02 38.58 2kb2 s PHE 3 CO 0.37 -0.98 1.27 -1.33 1.83 0.00 0.00 175.22 176.38 2kb2 n MET 4 N 4.63 -1.61 -1.32 10.12 2.81 -1.26 -5.04 117.12 125.45 2kb2 n MET 4 Ca -0.03 -1.97 -0.30 0.00 -1.81 0.00 0.00 57.70 53.59 2kb2 n MET 4 Cb 0.41 -1.40 0.22 0.00 -0.71 0.00 0.00 33.22 31.74 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 1.32 0.08 4.03 2.96 -0.54 -4.50 118.68 122.03 2kb2 s LEU 5 Ca 0.74 0.61 -0.23 0.00 -0.22 0.00 0.00 54.13 55.02 2kb2 s LEU 5 Cb -0.03 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.24 2kb2 s LEU 5 CO 0.52 -3.62 0.55 -0.89 -1.32 0.00 0.00 176.35 171.60 2kb2 s THR 6 N -3.23 0.02 -0.34 3.68 2.01 0.14 -0.42 115.64 117.50 2kb2 s THR 6 Ca 0.71 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.54 2kb2 s THR 6 Cb -0.09 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.51 2kb2 s THR 6 CO 0.55 -0.10 0.11 -0.89 -0.69 0.00 0.00 174.62 173.60 2kb2 s THR 7 N -2.90 1.42 -0.15 -0.82 2.01 0.17 0.90 115.64 116.26 2kb2 s THR 7 Ca -0.03 -1.90 -0.16 0.00 0.31 0.00 0.00 61.69 59.91 2kb2 s THR 7 Cb -0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2kb2 s THR 7 CO -0.05 -0.69 0.39 -0.22 -0.69 0.00 0.00 174.62 173.36 2kb2 s LEU 8 N 1.17 4.23 -0.02 4.42 0.20 0.21 -2.25 118.68 126.66 2kb2 s LEU 8 Ca 0.11 0.63 0.04 0.00 0.69 0.00 0.00 54.13 55.61 2kb2 s LEU 8 Cb -0.19 -2.54 -0.01 0.00 -0.43 0.00 0.00 46.19 43.02 2kb2 s LEU 8 CO -0.16 0.02 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.14 2kb2 s ILE 9 N 0.74 1.20 0.18 6.68 1.01 -0.68 -0.10 121.20 130.23 2kb2 s ILE 9 Ca 0.21 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2kb2 s ILE 9 Cb -0.14 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2kb2 s ILE 9 CO 0.07 0.34 0.17 -0.72 0.00 0.00 0.00 174.94 174.80 2kb2 s TYR 10 N -0.26 0.85 -0.04 3.97 -0.85 -0.85 0.10 117.35 120.28 2kb2 s TYR 10 Ca 0.04 -1.16 0.01 0.00 -0.52 0.00 0.00 57.07 55.44 2kb2 s TYR 10 Cb -0.07 -0.37 0.02 0.00 0.38 0.00 0.00 41.96 41.92 2kb2 s TYR 10 CO -0.00 -0.65 -0.05 1.03 -1.52 0.00 0.00 175.55 174.36 2kb2 s ARG 11 N -4.08 0.77 0.00 -3.49 0.52 -0.45 -1.33 118.95 110.89 2kb2 s ARG 11 Ca 0.29 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2kb2 s ARG 11 Cb 0.06 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.75 2kb2 s ARG 11 CO 0.06 -0.05 0.00 -1.13 0.02 0.00 0.00 175.30 174.21 2kb2 n SER 12 N 3.88 1.33 0.00 0.23 3.41 -0.46 0.47 113.62 122.49 2kb2 n SER 12 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2kb2 n SER 12 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.79 -3.05 4.33 6.02 -1.26 -2.52 117.38 121.69 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 -3.09 5.09 3.14 0.50 -3.95 118.33 120.01 2kb2 n VAL 14 Ca 0.00 -0.26 -0.45 0.00 -2.96 0.00 0.00 64.34 60.67 2kb2 n VAL 14 Cb 0.00 0.44 -0.04 0.00 -1.06 0.00 0.00 33.84 33.18 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 -3.14 3.10 -1.21 1.45 3.76 -1.25 -4.78 115.29 113.22 2kb2 s HIS 15 Ca 0.16 -1.16 0.00 0.00 -0.15 0.00 0.00 55.06 53.91 2kb2 s HIS 15 Cb -0.01 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.62 2kb2 s HIS 15 CO 0.02 -1.31 0.40 -0.35 -0.85 0.00 0.00 174.74 172.65 2kb2 n PRO 16 N 6.13 0.00 -0.01 8.40 -0.04 -1.26 -0.64 135.00 147.58 2kb2 n PRO 16 Ca 0.00 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2kb2 n PRO 16 Cb 0.44 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.90 3.59 -4.85 3.54 -0.08 -1.26 -5.05 116.55 111.53 2kb2 n ASP 17 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 2kb2 n ASP 17 Cb 0.03 1.16 0.08 0.00 2.34 0.00 0.00 41.12 44.73 2kb2 n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb2 s ARG 18 N -2.37 1.99 1.02 -0.67 3.03 0.19 -5.08 118.95 117.06 2kb2 s ARG 18 Ca -0.02 -0.21 -0.15 0.00 2.03 0.00 0.00 55.73 57.38 2kb2 s ARG 18 Cb 0.04 -2.09 0.20 0.00 -1.03 0.00 0.00 34.95 32.06 2kb2 s ARG 18 CO 0.25 -1.43 1.16 -1.25 -1.13 0.00 0.00 175.30 172.90 2kb2 s PRO 19 N -5.38 0.22 0.87 3.89 0.04 -1.26 -4.95 135.00 128.43 2kb2 s PRO 19 Ca 0.62 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.58 2kb2 s PRO 19 Cb -0.10 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.74 2kb2 s PRO 19 CO 0.46 -2.77 0.77 -2.30 0.04 0.00 0.00 177.00 173.20 2kb2 n PRO 20 N -4.12 -0.11 -3.02 0.56 -0.02 -1.26 -4.98 135.00 122.04 2kb2 n PRO 20 Ca 0.10 0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 2kb2 n PRO 20 Cb 0.59 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.30 4.68 -1.26 -1.45 1.01 -1.26 -4.95 120.40 114.87 2kb2 s VAL 21 Ca 0.64 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 2kb2 s VAL 21 Cb -0.26 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2kb2 s VAL 21 CO 0.60 -0.30 2.81 0.47 0.00 0.00 0.00 175.10 178.68 2kb2 n ASP 22 N -0.67 7.99 0.00 3.32 9.92 -1.26 -4.71 116.55 131.14 2kb2 n ASP 22 Ca 0.04 -2.82 0.00 0.00 -0.53 0.00 0.00 54.79 51.48 2kb2 n ASP 22 Cb 0.53 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 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 2.59 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.77 2kb2 n LEU 23 Ca 0.67 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.44 2kb2 n LEU 23 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2kb2 n LEU 23 CO 0.68 0.00 -1.32 0.47 -1.33 0.00 0.00 177.39 175.89 2kb2 n ASP 24 N -0.67 1.99 0.09 -1.43 8.00 -1.26 -4.23 116.55 119.03 2kb2 n ASP 24 Ca 0.00 0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.59 2kb2 n ASP 24 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kb2 h ALA 25 N -0.42 0.65 -0.40 2.24 0.00 -0.42 -2.79 119.26 118.12 2kb2 h ALA 25 Ca -0.58 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 2kb2 h ALA 25 Cb 1.71 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2kb2 h ALA 25 CO -0.22 0.71 -0.20 1.25 0.00 0.00 0.00 179.25 180.78 2kb2 h LEU 26 N 0.00 0.87 0.05 0.00 6.46 0.12 -2.84 115.31 119.97 2kb2 h LEU 26 Ca -0.08 -0.41 -0.28 0.00 -0.12 0.00 0.00 57.88 57.00 2kb2 h LEU 26 Cb 1.45 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 2kb2 h LEU 26 CO 0.05 1.09 -1.46 1.62 -0.62 0.00 0.00 178.44 179.12 2kb2 h VAL 27 N 0.65 1.19 0.43 1.05 3.04 -1.74 -3.31 116.25 117.58 2kb2 h VAL 27 Ca 0.09 -2.92 -0.01 0.00 -1.01 0.00 0.00 66.70 62.85 2kb2 h VAL 27 Cb 0.76 2.67 -0.02 0.00 -2.01 0.00 0.00 31.29 32.69 2kb2 h VAL 27 CO 0.06 0.76 -0.44 -0.74 -1.01 0.00 0.00 177.57 176.20 2kb2 h HIS 28 N 0.03 -1.21 -0.04 3.17 6.17 -1.48 0.14 115.15 121.93 2kb2 h HIS 28 Ca -0.20 0.01 0.01 0.00 0.71 0.00 0.00 60.37 60.90 2kb2 h HIS 28 Cb 1.95 0.47 -0.00 0.00 2.52 0.00 0.00 27.41 32.35 2kb2 h HIS 28 CO 0.03 -0.60 0.09 0.00 0.71 0.00 0.00 177.93 178.16 2kb2 h ARG 29 N -0.89 0.00 0.11 5.26 -0.00 -1.67 -2.38 114.38 114.81 2kb2 h ARG 29 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2kb2 h ARG 29 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.76 2kb2 h ARG 29 CO -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 179.97 179.85 2kb2 h ALA 30 N 1.85 -0.16 -0.46 0.04 0.00 -1.28 -3.09 119.26 116.16 2kb2 h ALA 30 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2kb2 h ALA 30 Cb 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kb2 h ALA 30 CO -0.00 -0.15 0.63 1.03 0.00 0.00 0.00 179.25 180.76 2kb2 h SER 31 N -0.91 0.00 0.61 0.00 0.87 -0.53 0.45 113.55 114.04 2kb2 h SER 31 Ca -0.02 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.29 2kb2 h SER 31 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2kb2 h SER 31 CO 0.02 0.00 -1.15 -1.28 -0.53 0.00 0.00 176.83 173.90 2kb2 h SER 32 N 0.00 0.40 0.12 6.23 0.87 -1.50 -2.63 113.55 117.02 2kb2 h SER 32 Ca 0.22 -0.40 -0.27 0.00 -1.23 0.00 0.00 61.79 60.11 2kb2 h SER 32 Cb 1.48 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2kb2 h SER 32 CO -0.00 1.28 -1.38 0.50 -0.53 0.00 0.00 176.83 176.70 2kb2 h LYS 33 N 0.09 0.25 -0.39 2.24 3.64 -0.18 -3.38 116.57 118.85 2kb2 h LYS 33 Ca -0.11 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 58.76 2kb2 h LYS 33 Cb 1.86 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.82 2kb2 h LYS 33 CO 0.19 1.20 -0.13 -0.91 -2.27 0.00 0.00 179.45 177.53 2kb2 h ASN 34 N -0.31 0.69 0.22 4.20 4.21 -0.85 -2.84 115.58 120.91 2kb2 h ASN 34 Ca -0.29 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.01 2kb2 h ASN 34 Cb 1.76 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.75 2kb2 h ASN 34 CO 0.07 0.84 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.70 2kb2 h LEU 35 N 0.64 -0.76 -2.22 1.61 3.38 -1.60 0.33 115.31 116.69 2kb2 h LEU 35 Ca 0.11 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kb2 h LEU 35 Cb 0.58 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2kb2 h LEU 35 CO 0.04 -0.34 -0.06 1.55 0.09 0.00 0.00 178.44 179.72 2kb2 h PRO 36 N -0.51 0.00 0.00 1.13 0.13 -1.73 -1.53 132.00 129.49 2kb2 h PRO 36 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2kb2 h PRO 36 Cb 0.45 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 2kb2 h PRO 36 CO -0.06 0.06 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.63 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.15 -3.46 115.31 116.33 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 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2kb2 h LEU 37 CO 0.01 0.07 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 2kb2 n GLY 38 N 0.51 0.70 3.85 0.83 0.00 -0.22 -4.90 105.19 105.97 2kb2 n GLY 38 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.19 4.64 0.06 -0.61 1.01 0.10 -4.45 121.20 119.77 2kb2 s ILE 39 Ca 0.00 0.98 -0.11 0.00 0.00 0.00 0.00 60.65 61.52 2kb2 s ILE 39 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2kb2 s ILE 39 CO 0.00 -0.32 0.25 0.42 0.00 0.00 0.00 174.94 175.30 2kb2 s THR 40 N -2.15 0.10 -4.98 2.92 -4.23 -1.06 -4.00 115.64 102.24 2kb2 s THR 40 Ca 0.55 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2kb2 s THR 40 Cb -0.10 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.67 2kb2 s THR 40 CO 0.21 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2kb2 n GLY 41 N 0.34 -0.49 3.31 3.99 0.00 -0.63 0.36 105.19 112.07 2kb2 n GLY 41 Ca -0.17 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.25 0.06 0.31 -0.61 2.07 -0.70 -3.29 121.20 115.79 2kb2 s ILE 42 Ca 0.00 -0.49 0.10 0.00 -1.41 0.00 0.00 60.65 58.85 2kb2 s ILE 42 Cb 0.00 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.58 2kb2 s ILE 42 CO 0.00 -0.27 -0.11 -0.76 -1.91 0.00 0.00 174.94 171.88 2kb2 s LEU 43 N -2.03 2.76 0.02 8.50 1.43 -0.31 -0.40 118.68 128.65 2kb2 s LEU 43 Ca -0.05 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2kb2 s LEU 43 Cb -0.01 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 2kb2 s LEU 43 CO -0.03 -0.08 0.04 -0.76 0.23 0.00 0.00 176.35 175.75 2kb2 s LEU 44 N -3.59 1.98 -0.13 1.79 1.02 0.15 0.73 118.68 120.63 2kb2 s LEU 44 Ca 0.32 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.90 2kb2 s LEU 44 Cb -0.02 0.38 0.05 0.00 0.02 0.00 0.00 46.19 46.62 2kb2 s LEU 44 CO 0.17 -0.40 0.33 0.12 0.02 0.00 0.00 176.35 176.58 2kb2 s PHE 45 N -1.98 -0.44 -0.02 0.29 5.36 -0.77 -1.94 117.98 118.48 2kb2 s PHE 45 Ca -0.11 0.99 0.03 0.00 -0.96 0.00 0.00 56.93 56.88 2kb2 s PHE 45 Cb -0.05 0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 2kb2 s PHE 45 CO -0.02 -0.25 1.00 0.27 -1.46 0.00 0.00 175.22 174.75 2kb2 n ASN 46 N 3.85 1.94 0.00 6.13 0.23 -1.16 0.57 115.26 126.82 2kb2 n ASN 46 Ca -0.21 -2.11 0.00 0.00 -0.53 0.00 0.00 54.58 51.73 2kb2 n ASN 46 Cb 0.55 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.60 0.46 0.00 4.83 0.00 -1.26 -4.75 105.19 103.87 2kb2 n GLY 47 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.95 117.00 107.20 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 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2kb2 n LEU 48 CO 0.00 0.00 -0.35 -1.10 -0.00 0.00 0.00 177.39 175.94 2kb2 s GLN 49 N -1.00 1.90 -0.20 1.96 -0.21 -1.26 -0.37 119.66 120.47 2kb2 s GLN 49 Ca 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 55.36 53.43 2kb2 s GLN 49 Cb 0.00 -1.73 0.05 0.00 1.00 0.00 0.00 33.01 32.33 2kb2 s GLN 49 CO 0.00 0.09 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.18 2kb2 s PHE 50 N -2.62 1.82 -0.24 0.91 0.08 -1.05 -2.99 117.98 113.90 2kb2 s PHE 50 Ca 0.34 -1.32 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 2kb2 s PHE 50 Cb 0.04 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 2kb2 s PHE 50 CO 0.17 -0.69 0.14 0.12 -0.10 0.00 0.00 175.22 174.87 2kb2 s PHE 51 N 1.59 3.28 -0.13 0.36 5.36 -0.82 -1.35 117.98 126.27 2kb2 s PHE 51 Ca -0.03 0.13 0.01 0.00 -0.96 0.00 0.00 56.93 56.08 2kb2 s PHE 51 Cb -0.17 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.27 2kb2 s PHE 51 CO -0.07 0.01 -0.13 -1.14 -1.46 0.00 0.00 175.22 172.44 2kb2 s GLN 52 N 1.09 2.04 -0.61 10.12 0.74 -0.44 0.34 119.66 132.94 2kb2 s GLN 52 Ca 0.07 -0.47 -0.20 0.00 0.05 0.00 0.00 55.36 54.81 2kb2 s GLN 52 Cb -0.14 -1.88 0.09 0.00 1.10 0.00 0.00 33.01 32.18 2kb2 s GLN 52 CO 0.05 -0.19 0.79 0.08 -0.55 0.00 0.00 175.29 175.47 2kb2 s VAL 53 N 1.39 4.64 -0.12 1.34 1.01 0.46 -2.00 120.40 127.12 2kb2 s VAL 53 Ca 0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2kb2 s VAL 53 Cb -0.13 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 2kb2 s VAL 53 CO -0.07 -1.21 0.04 -0.22 0.00 0.00 0.00 175.10 173.64 2kb2 s LEU 54 N 3.18 3.79 0.30 3.92 2.96 0.86 -1.73 118.68 131.97 2kb2 s LEU 54 Ca 0.16 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2kb2 s LEU 54 Cb -0.21 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 2kb2 s LEU 54 CO 0.08 0.33 0.02 -1.61 -1.32 0.00 0.00 176.35 173.85 2kb2 s GLU 55 N -0.56 1.59 0.00 1.98 2.02 0.16 0.67 118.70 124.56 2kb2 s GLU 55 Ca 0.10 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.24 2kb2 s GLU 55 Cb -0.12 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.19 2kb2 s GLU 55 CO 0.02 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.59 2kb2 n GLY 56 N -0.63 0.86 3.72 -1.39 0.00 0.26 -2.58 105.19 105.43 2kb2 n GLY 56 Ca -0.03 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 2kb2 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kb2 n THR 57 N -0.95 1.30 -0.30 2.61 -2.24 -1.26 0.28 114.28 113.73 2kb2 n THR 57 Ca 0.00 -0.33 0.21 0.00 -2.27 0.00 0.00 64.05 61.66 2kb2 n THR 57 Cb 0.00 -1.76 0.49 0.00 -2.10 0.00 0.00 70.33 66.96 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 3.99 0.42 -0.41 -0.78 4.81 -1.85 0.36 114.58 121.12 2kb2 h GLU 58 Ca -0.47 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2kb2 h GLU 58 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2kb2 h GLU 58 CO 0.73 0.28 0.05 1.05 -0.73 0.00 0.00 179.01 180.39 2kb2 h GLU 59 N 0.43 0.64 0.09 1.92 4.11 -1.95 -1.36 114.58 118.45 2kb2 h GLU 59 Ca 0.55 -0.13 -0.29 0.00 0.07 0.00 0.00 59.36 59.56 2kb2 h GLU 59 Cb 1.34 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.52 2kb2 h GLU 59 CO -0.25 0.62 -1.19 0.00 0.07 0.00 0.00 179.01 178.25 2kb2 h ALA 60 N 1.45 0.04 -0.70 1.06 0.00 -0.71 -3.15 119.26 117.24 2kb2 h ALA 60 Ca 0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2kb2 h ALA 60 Cb 0.31 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2kb2 h ALA 60 CO 0.01 0.70 0.36 -0.07 0.00 0.00 0.00 179.25 180.24 2kb2 h LEU 61 N 0.30 0.90 0.90 0.00 3.38 -0.81 -0.28 115.31 119.69 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 1.86 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.39 2kb2 h LEU 61 CO 0.23 0.76 -0.45 -0.08 0.09 0.00 0.00 178.44 178.99 2kb2 h GLU 62 N 0.97 -1.18 -0.30 1.13 4.81 -1.33 0.15 114.58 118.83 2kb2 h GLU 62 Ca 0.24 0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2kb2 h GLU 62 Cb 0.08 0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2kb2 h GLU 62 CO -0.03 -0.79 0.10 0.77 -0.73 0.00 0.00 179.01 178.33 2kb2 h SER 63 N -1.22 0.10 0.54 1.04 0.02 -1.52 0.16 113.55 112.68 2kb2 h SER 63 Ca -0.12 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2kb2 h SER 63 Cb 0.94 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2kb2 h SER 63 CO 0.19 0.09 -0.31 0.25 -1.14 0.00 0.00 176.83 175.91 2kb2 h LEU 64 N 0.23 -0.78 -1.96 5.07 7.12 -1.01 0.11 115.31 124.09 2kb2 h LEU 64 Ca 0.13 0.04 0.31 0.00 0.13 0.00 0.00 57.88 58.49 2kb2 h LEU 64 Cb 0.11 0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 40.41 2kb2 h LEU 64 CO -0.14 -0.49 0.77 0.15 -0.13 0.00 0.00 178.44 178.60 2kb2 h PHE 65 N -0.79 0.05 -0.01 1.25 3.57 -0.63 1.00 116.94 121.37 2kb2 h PHE 65 Ca -0.07 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.26 2kb2 h PHE 65 Cb 0.63 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2kb2 h PHE 65 CO 0.00 0.00 -0.76 1.03 -2.23 0.00 0.00 178.31 176.36 2kb2 h SER 66 N 0.03 0.10 0.50 0.41 0.87 0.16 -2.74 113.55 112.88 2kb2 h SER 66 Ca 0.52 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.89 2kb2 h SER 66 Cb 2.02 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.94 2kb2 h SER 66 CO -0.03 0.82 -0.52 -0.33 -0.53 0.00 0.00 176.83 176.24 2kb2 h GLU 67 N 0.05 0.03 0.32 2.24 4.39 0.35 -3.12 114.58 118.83 2kb2 h GLU 67 Ca -0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2kb2 h GLU 67 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2kb2 h GLU 67 CO 0.11 0.55 -0.15 0.82 -1.16 0.00 0.00 179.01 179.17 2kb2 h ILE 68 N 0.02 0.71 0.00 3.13 5.03 -0.87 -2.58 117.51 122.95 2kb2 h ILE 68 Ca -0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 2kb2 h ILE 68 Cb 0.94 0.91 0.00 0.00 -3.03 0.00 0.00 36.82 35.64 2kb2 h ILE 68 CO 0.07 0.08 0.00 0.00 -0.68 0.00 0.00 178.15 177.62 2kb2 n GLN 69 N -5.19 0.02 -0.44 2.37 6.02 -1.06 -0.46 117.38 118.65 2kb2 n GLN 69 Ca -0.10 0.43 0.09 0.00 -0.01 0.00 0.00 57.00 57.42 2kb2 n GLN 69 Cb 0.24 -1.57 0.30 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.62 3.86 -4.87 1.08 7.64 -0.98 -4.94 113.62 113.80 2kb2 n SER 70 Ca 0.01 -2.19 -0.32 0.00 1.01 0.00 0.00 58.87 57.38 2kb2 n SER 70 Cb 0.07 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.92 6.62 0.00 6.43 1.11 0.39 -5.00 116.67 125.30 2kb2 s ASP 71 Ca 0.44 0.89 0.28 0.00 0.18 0.00 0.00 52.55 54.34 2kb2 s ASP 71 Cb 0.26 -2.21 0.97 0.00 1.07 0.00 0.00 42.92 43.00 2kb2 s ASP 71 CO 0.26 -0.05 1.70 -0.81 1.18 0.00 0.00 175.17 177.45 2kb2 n PRO 72 N -0.05 1.44 0.00 8.23 -0.04 -1.26 -4.58 135.00 138.75 2kb2 n PRO 72 Ca -0.00 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 2kb2 n PRO 72 Cb 0.52 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2kb2 n PRO 72 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kb2 n ARG 73 N -0.04 0.00 0.00 0.54 0.63 -1.26 -4.96 116.66 111.56 2kb2 n ARG 73 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2kb2 n ARG 73 Cb 0.35 -0.34 0.00 0.00 0.45 0.00 0.00 32.46 32.93 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 -0.38 -0.46 0.21 -0.14 1.44 -1.26 -3.93 115.22 110.68 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 -0.46 -1.40 1.85 -1.26 -4.69 116.66 110.70 2kb2 n ARG 75 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2kb2 n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 5.14 -4.64 2.89 2.03 -1.26 -4.81 116.55 112.54 2kb2 n ASP 76 Ca 0.00 -2.39 -0.42 0.00 0.52 0.00 0.00 54.79 52.50 2kb2 n ASP 76 Cb 0.00 -1.06 -0.03 0.00 -0.72 0.00 0.00 41.12 39.31 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 -0.06 3.22 -0.05 5.18 0.11 -1.23 -3.78 120.40 123.79 2kb2 s VAL 77 Ca 0.01 0.25 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2kb2 s VAL 77 Cb 0.01 -3.19 0.01 0.00 -1.53 0.00 0.00 36.38 31.67 2kb2 s VAL 77 CO 0.00 -0.06 -0.12 0.54 -3.33 0.00 0.00 175.10 172.14 2kb2 s VAL 78 N 5.28 1.05 -0.19 2.04 0.11 0.18 -4.89 120.40 123.97 2kb2 s VAL 78 Ca 0.86 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 2kb2 s VAL 78 Cb -0.36 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 2kb2 s VAL 78 CO 0.36 0.33 2.02 -0.70 -3.33 0.00 0.00 175.10 173.78 2kb2 s GLU 79 N 0.47 3.44 -0.15 1.54 2.12 -1.26 -1.34 118.70 123.53 2kb2 s GLU 79 Ca -0.10 1.99 -0.04 0.00 0.36 0.00 0.00 54.97 57.18 2kb2 s GLU 79 Cb -0.13 -4.26 -0.24 0.00 0.26 0.00 0.00 34.13 29.76 2kb2 s GLU 79 CO 0.02 -1.74 0.25 1.28 -0.54 0.00 0.00 175.26 174.53 2kb2 n LEU 80 N 10.24 2.65 -4.14 2.70 4.32 0.28 -4.95 117.00 128.11 2kb2 n LEU 80 Ca 0.25 0.14 -0.11 0.00 -0.02 0.00 0.00 56.01 56.27 2kb2 n LEU 80 Cb 0.45 -1.03 -0.08 0.00 -1.62 0.00 0.00 43.42 41.13 2kb2 n LEU 80 CO 0.67 0.86 -0.10 -0.32 -1.22 0.00 0.00 177.39 177.27 2kb2 s MET 81 N -2.55 1.32 0.00 3.23 1.75 0.13 -4.91 119.30 118.26 2kb2 s MET 81 Ca -0.24 -1.51 0.00 0.00 -1.25 0.00 0.00 55.69 52.69 2kb2 s MET 81 Cb 0.07 0.34 0.00 0.00 2.84 0.00 0.00 34.83 38.08 2kb2 s MET 81 CO 0.74 -0.47 0.00 -2.13 -0.65 0.00 0.00 175.02 172.50 2kb2 n ARG 82 N -0.31 0.00 -4.25 4.11 0.63 -1.03 -1.69 116.66 114.13 2kb2 n ARG 82 Ca 0.01 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.74 2kb2 n ARG 82 Cb 0.65 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.43 2kb2 n ARG 82 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kb2 s ASP 83 N 0.00 1.91 0.94 6.15 2.15 -0.95 -4.89 116.67 121.98 2kb2 s ASP 83 Ca 0.00 -0.60 -0.11 0.00 0.43 0.00 0.00 52.55 52.27 2kb2 s ASP 83 Cb 0.00 -0.09 0.16 0.00 -0.30 0.00 0.00 42.92 42.70 2kb2 s ASP 83 CO 0.00 -0.02 1.12 -0.31 -0.17 0.00 0.00 175.17 175.79 2kb2 s TYR 84 N -1.16 1.68 0.18 -5.34 2.02 -1.26 0.42 117.35 113.89 2kb2 s TYR 84 Ca 0.01 1.65 -0.17 0.00 -0.37 0.00 0.00 57.07 58.19 2kb2 s TYR 84 Cb -0.10 -3.27 0.03 0.00 -0.40 0.00 0.00 41.96 38.22 2kb2 s TYR 84 CO 0.03 -2.89 0.48 -1.12 -1.57 0.00 0.00 175.55 170.47 2kb2 s SER 85 N -2.74 -0.24 0.00 2.29 0.01 0.44 -4.66 113.70 108.80 2kb2 s SER 85 Ca 0.66 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2kb2 s SER 85 Cb -0.22 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2kb2 s SER 85 CO 0.59 -0.99 0.47 0.00 0.41 0.00 0.00 173.24 173.72 2kb2 n ALA 86 N -0.30 1.92 -3.70 1.44 0.00 -1.26 -1.46 120.51 117.14 2kb2 n ALA 86 Ca -0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 2kb2 n ALA 86 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.26 -0.17 0.00 1.13 -1.26 -4.94 117.35 111.73 2kb2 s TYR 87 Ca 0.00 -0.12 -0.08 0.00 -1.41 0.00 0.00 57.07 55.46 2kb2 s TYR 87 Cb 0.00 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 2kb2 s TYR 87 CO 0.00 -1.11 0.10 1.03 -2.51 0.00 0.00 175.55 173.06 2kb2 s ARG 88 N -3.88 3.92 -0.04 -3.49 0.52 -1.26 -4.95 118.95 109.78 2kb2 s ARG 88 Ca 0.09 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 2kb2 s ARG 88 Cb -0.04 -3.27 -0.24 0.00 0.52 0.00 0.00 34.95 31.92 2kb2 s ARG 88 CO 0.01 0.39 0.67 0.00 0.02 0.00 0.00 175.30 176.40 2kb2 h ARG 89 N 6.31 0.06 -1.08 3.54 -0.00 -1.97 -3.37 114.38 117.87 2kb2 h ARG 89 Ca -0.42 -0.11 -0.64 0.00 -0.50 0.00 0.00 59.98 58.31 2kb2 h ARG 89 Cb 1.17 0.04 -0.35 0.00 0.00 0.00 0.00 29.97 30.83 2kb2 h ARG 89 CO 0.70 0.69 0.18 1.19 0.00 0.00 0.00 179.97 182.73 2kb2 n PHE 90 N -3.17 3.06 -1.68 3.04 3.01 -1.26 -4.03 117.46 116.44 2kb2 n PHE 90 Ca -0.18 -2.68 -0.45 0.00 1.01 0.00 0.00 57.45 55.15 2kb2 n PHE 90 Cb 1.04 -0.92 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 2kb2 n PHE 90 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 2kb2 n HIS 91 N -0.76 2.23 0.00 1.38 1.44 -1.26 -1.27 115.22 116.97 2kb2 n HIS 91 Ca 0.53 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.65 2kb2 n HIS 91 Cb 0.71 -2.48 0.00 0.00 0.12 0.00 0.00 29.99 28.35 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kb2 n GLY 92 N 2.20 1.77 2.64 -1.39 0.00 -1.26 -4.97 105.19 104.18 2kb2 n GLY 92 Ca 0.12 0.00 -0.29 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 -2.33 0.89 0.41 2.61 2.01 -0.40 -4.98 115.64 113.85 2kb2 s THR 93 Ca 0.00 -2.02 0.13 0.00 0.31 0.00 0.00 61.69 60.11 2kb2 s THR 93 Cb 0.00 -1.64 0.33 0.00 0.01 0.00 0.00 72.50 71.20 2kb2 s THR 93 CO 0.00 -0.87 1.94 1.23 -0.69 0.00 0.00 174.62 176.22 2kb2 h GLY 94 N 7.15 0.77 -5.29 4.40 0.00 -1.79 -3.01 103.07 105.30 2kb2 h GLY 94 Ca -0.02 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.14 2kb2 h GLY 94 CO 0.42 0.10 0.42 -0.29 0.00 0.00 0.00 176.54 177.19 2kb2 s MET 95 N -5.48 0.55 -0.28 4.80 1.75 -1.25 -1.61 119.30 117.79 2kb2 s MET 95 Ca -0.08 0.61 0.01 0.00 -1.25 0.00 0.00 55.69 54.97 2kb2 s MET 95 Cb 0.20 0.27 0.16 0.00 2.84 0.00 0.00 34.83 38.30 2kb2 s MET 95 CO 0.77 -0.07 0.44 0.50 -0.65 0.00 0.00 175.02 176.00 2kb2 s ARG 96 N 0.15 0.43 0.89 4.11 3.00 -1.21 -4.52 118.95 121.81 2kb2 s ARG 96 Ca 0.02 0.41 -0.10 0.00 -1.00 0.00 0.00 55.73 55.06 2kb2 s ARG 96 Cb -0.05 -0.20 0.13 0.00 0.00 0.00 0.00 34.95 34.84 2kb2 s ARG 96 CO -0.05 -0.86 1.12 -1.50 0.00 0.00 0.00 175.30 174.01 2kb2 s ILE 97 N 2.61 2.45 -0.35 4.11 -1.16 -1.26 -1.16 121.20 126.44 2kb2 s ILE 97 Ca 0.12 0.15 -0.00 0.00 -0.51 0.00 0.00 60.65 60.40 2kb2 s ILE 97 Cb -0.13 -2.33 0.13 0.00 0.61 0.00 0.00 42.46 40.73 2kb2 s ILE 97 CO -0.24 -0.19 0.19 -0.22 -2.81 0.00 0.00 174.94 171.67 2kb2 s LEU 98 N -6.44 1.45 -0.90 8.50 2.96 0.22 -4.72 118.68 119.74 2kb2 s LEU 98 Ca 0.65 -2.05 -0.25 0.00 -0.22 0.00 0.00 54.13 52.26 2kb2 s LEU 98 Cb -0.21 -0.59 -0.12 0.00 0.50 0.00 0.00 46.19 45.76 2kb2 s LEU 98 CO 0.58 -0.34 2.19 -0.62 -1.32 0.00 0.00 176.35 176.84 2kb2 s ASP 99 N 1.17 4.26 0.66 3.68 2.15 -1.26 -1.85 116.67 125.48 2kb2 s ASP 99 Ca 0.15 -0.46 0.40 0.00 0.43 0.00 0.00 52.55 53.07 2kb2 s ASP 99 Cb -0.21 -2.56 2.19 0.00 -0.30 0.00 0.00 42.92 42.03 2kb2 s ASP 99 CO -0.09 -3.64 2.25 -0.07 -0.17 0.00 0.00 175.17 173.45 2kb2 h LEU 100 N 20.82 0.00 -1.73 -1.34 3.38 -0.22 0.17 115.31 136.39 2kb2 h LEU 100 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 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 1.08 0.00 0.04 0.03 0.09 0.00 0.00 178.44 179.68 2kb2 h ARG 101 N 0.00 0.00 0.03 1.13 3.08 -1.84 -1.96 114.38 114.82 2kb2 h ARG 101 Ca 0.01 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 2kb2 h ARG 101 Cb 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 2kb2 h ARG 101 CO -0.00 0.00 -2.04 1.28 -1.07 0.00 0.00 179.97 178.14 2kb2 n LEU 102 N -2.43 2.33 0.00 3.04 4.77 0.58 -5.01 117.00 120.28 2kb2 n LEU 102 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2kb2 n LEU 102 Cb 0.08 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2kb2 n LEU 102 CO 0.12 0.65 0.00 0.49 -1.33 0.00 0.00 177.39 177.31 2kb2 n PHE 103 N -3.89 0.00 -2.76 -1.77 3.72 -0.74 -5.07 117.46 106.96 2kb2 n PHE 103 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2kb2 n PHE 103 Cb 0.90 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 0.39 -0.05 0.00 0.00 176.76 177.10 2kb2 n GLU 104 N 0.00 0.00 0.42 -1.08 1.02 -1.26 -4.84 120.64 114.90 2kb2 n GLU 104 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2kb2 n GLU 104 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2kb2 h THR 105 N 0.00 0.15 0.00 2.62 2.02 -1.93 0.22 112.91 115.99 2kb2 h THR 105 Ca 0.00 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2kb2 h THR 105 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2kb2 h THR 105 CO 0.00 0.01 -0.39 -0.78 0.37 0.00 0.00 175.52 174.73 2kb2 h ASP 106 N -1.17 0.00 -0.06 4.18 1.82 -1.98 -2.77 116.42 116.45 2kb2 h ASP 106 Ca -0.11 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.46 2kb2 h ASP 106 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2kb2 h ASP 106 CO 0.18 0.39 -0.24 1.23 -1.61 0.00 0.00 179.24 179.19 2kb2 h GLY 107 N 3.33 0.29 0.76 -0.78 0.00 -1.92 -2.52 103.07 102.23 2kb2 h GLY 107 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2kb2 h GLY 107 CO 0.05 0.36 -0.03 0.00 0.00 0.00 0.00 176.54 176.91 2kb2 h ALA 108 N 0.42 0.20 -0.82 3.60 0.00 -0.63 -2.29 119.26 119.74 2kb2 h ALA 108 Ca -0.01 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.79 2kb2 h ALA 108 Cb 0.88 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2kb2 h ALA 108 CO 0.05 -0.05 0.43 1.25 0.00 0.00 0.00 179.25 180.93 2kb2 h LEU 109 N -0.03 0.56 -1.11 0.00 5.85 -1.59 0.78 115.31 119.79 2kb2 h LEU 109 Ca 0.04 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2kb2 h LEU 109 Cb 0.46 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2kb2 h LEU 109 CO 0.01 0.28 0.39 -0.33 -0.34 0.00 0.00 178.44 178.46 2kb2 h GLU 110 N 0.68 1.01 -0.16 1.25 5.08 -1.30 -2.60 114.58 118.54 2kb2 h GLU 110 Ca 0.42 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 2kb2 h GLU 110 Cb 0.50 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2kb2 h GLU 110 CO -0.31 0.75 -0.36 0.93 -1.00 0.00 0.00 179.01 179.03 2kb2 h GLU 111 N 1.02 -0.40 -0.52 2.33 4.39 -0.26 0.16 114.58 121.30 2kb2 h GLU 111 Ca 0.26 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.08 2kb2 h GLU 111 Cb 0.04 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.68 2kb2 h GLU 111 CO -0.04 -0.27 -0.30 0.82 -1.16 0.00 0.00 179.01 178.06 2kb2 h ILE 112 N -0.42 0.23 -0.46 3.13 5.03 -1.15 0.35 117.51 124.23 2kb2 h ILE 112 Ca 0.10 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.92 2kb2 h ILE 112 Cb 0.57 0.23 -0.03 0.00 -3.03 0.00 0.00 36.82 34.57 2kb2 h ILE 112 CO -0.39 0.00 0.31 -0.07 -0.68 0.00 0.00 178.15 177.33 2kb2 h LEU 113 N -0.17 0.24 -1.26 1.44 -0.00 -1.01 0.88 115.31 115.43 2kb2 h LEU 113 Ca 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 2kb2 h LEU 113 Cb 0.53 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2kb2 h LEU 113 CO -0.61 0.15 -0.14 0.03 -0.00 0.00 0.00 178.44 177.87 2kb2 h ARG 114 N 0.28 0.33 0.00 1.13 2.47 0.25 -3.15 114.38 115.68 2kb2 h ARG 114 Ca 0.21 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2kb2 h ARG 114 Cb 0.47 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2kb2 h ARG 114 CO -0.04 0.48 -0.01 1.97 0.56 0.00 0.00 179.97 182.92 2kb2 n PHE 115 N -4.23 0.00 -4.28 3.04 1.16 -0.61 -5.04 117.46 107.50 2kb2 n PHE 115 Ca -0.00 -0.52 -0.15 0.00 -1.87 0.00 0.00 57.45 54.90 2kb2 n PHE 115 Cb 0.30 -0.06 -0.10 0.00 -1.61 0.00 0.00 39.48 38.01 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 -1.22 0.90 -0.09 5.98 0.01 0.30 -4.94 113.70 114.63 2kb2 s SER 116 Ca 0.05 -1.42 -0.03 0.00 1.31 0.00 0.00 55.95 55.87 2kb2 s SER 116 Cb 0.05 0.28 0.04 0.00 0.21 0.00 0.00 66.02 66.59 2kb2 s SER 116 CO 0.00 -0.80 0.06 0.42 0.41 0.00 0.00 173.24 173.33 2kb2 s THR 117 N -3.86 0.03 -1.10 1.44 -4.23 -1.26 -4.51 115.64 102.15 2kb2 s THR 117 Ca 0.38 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 2kb2 s THR 117 Cb 0.07 -0.40 -0.08 0.00 1.34 0.00 0.00 72.50 73.43 2kb2 s THR 117 CO 0.14 0.04 3.00 0.49 -0.54 0.00 0.00 174.62 177.75 2kb2 n PHE 118 N 5.25 1.82 1.62 3.99 3.01 -1.26 -4.59 117.46 127.30 2kb2 n PHE 118 Ca -0.05 -2.58 0.00 0.00 1.01 0.00 0.00 57.45 55.83 2kb2 n PHE 118 Cb 0.50 -2.07 0.00 0.00 -0.01 0.00 0.00 39.48 37.89 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 2.75 -0.30 3.50 1.37 0.00 -1.26 -4.85 105.19 106.39 2kb2 n GLY 119 Ca 0.65 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.73 1.67 0.08 1.61 -7.23 -1.26 -4.95 120.40 108.58 2kb2 s VAL 120 Ca 0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 59.81 2kb2 s VAL 120 Cb 0.00 -2.28 -0.18 0.00 0.56 0.00 0.00 36.38 34.49 2kb2 s VAL 120 CO 0.00 0.00 1.57 0.74 -0.31 0.00 0.00 175.10 177.10 2kb2 h THR 121 N -2.71 0.03 -2.17 5.32 2.02 -2.03 -3.43 112.91 109.94 2kb2 h THR 121 Ca -0.51 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.55 2kb2 h THR 121 Cb 1.33 0.03 -0.28 0.00 -1.74 0.00 0.00 68.15 67.48 2kb2 h THR 121 CO 0.41 0.00 -0.42 -1.61 0.37 0.00 0.00 175.52 174.27 2kb2 s GLU 122 N -5.91 0.34 0.15 6.66 2.02 -1.26 -5.00 118.70 115.69 2kb2 s GLU 122 Ca -0.18 0.78 0.12 0.00 0.02 0.00 0.00 54.97 55.71 2kb2 s GLU 122 Cb 0.04 -0.07 0.61 0.00 0.10 0.00 0.00 34.13 34.81 2kb2 s GLU 122 CO 0.61 -0.46 1.37 -2.30 0.02 0.00 0.00 175.26 174.50 2kb2 n PRO 123 N 5.38 0.07 0.00 0.39 -0.02 -1.26 -2.64 135.00 136.92 2kb2 n PRO 123 Ca -0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2kb2 n PRO 123 Cb 0.50 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.86 0.00 1.44 -1.45 0.31 -1.26 -3.17 118.33 112.33 2kb2 n VAL 124 Ca 0.00 1.19 0.08 0.00 -0.01 0.00 0.00 64.34 65.60 2kb2 n VAL 124 Cb 0.05 -2.15 0.45 0.00 -0.91 0.00 0.00 33.84 31.29 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 -1.40 0.00 -4.55 4.52 0.23 -1.21 -4.75 115.26 108.10 2kb2 n ASN 125 Ca 0.00 -0.97 -0.36 0.00 -0.53 0.00 0.00 54.58 52.72 2kb2 n ASN 125 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 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 -0.83 2.16 -0.34 0.53 2.03 -1.08 -4.80 116.55 114.21 2kb2 n ASP 126 Ca 0.11 -0.48 0.21 0.00 0.52 0.00 0.00 54.79 55.15 2kb2 n ASP 126 Cb 0.05 -1.54 0.45 0.00 -0.72 0.00 0.00 41.12 39.36 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 19.03 0.43 -0.13 -0.67 2.47 -1.90 0.11 114.38 133.72 2kb2 h ARG 127 Ca -0.22 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 2kb2 h ARG 127 Cb 1.27 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 2kb2 h ARG 127 CO 1.17 0.29 0.02 1.98 0.56 0.00 0.00 179.97 183.99 2kb2 h MET 128 N 0.45 0.22 -0.28 0.04 1.85 -1.96 -2.91 114.93 112.34 2kb2 h MET 128 Ca 0.67 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.67 2kb2 h MET 128 Cb 1.48 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.47 2kb2 h MET 128 CO -0.48 0.42 0.05 0.35 -0.40 0.00 0.00 176.91 176.85 2kb2 h PHE 129 N -0.01 0.40 -0.94 1.39 3.57 -1.19 0.38 116.94 120.55 2kb2 h PHE 129 Ca 0.04 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.64 2kb2 h PHE 129 Cb 0.31 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.84 2kb2 h PHE 129 CO 0.02 0.37 0.57 0.00 -2.23 0.00 0.00 178.31 177.04 2kb2 h ARG 130 N 0.40 0.88 0.01 1.11 2.47 -0.81 -0.07 114.38 118.36 2kb2 h ARG 130 Ca 0.09 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 2kb2 h ARG 130 Cb 0.19 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2kb2 h ARG 130 CO -0.00 0.58 -0.11 -0.07 0.56 0.00 0.00 179.97 180.93 2kb2 h LEU 131 N 0.90 0.04 -0.49 3.04 3.38 -1.34 -3.07 115.31 117.77 2kb2 h LEU 131 Ca 0.47 -0.98 0.06 0.00 0.09 0.00 0.00 57.88 57.52 2kb2 h LEU 131 Cb 0.48 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 2kb2 h LEU 131 CO -0.27 1.05 -0.53 0.25 0.09 0.00 0.00 178.44 179.02 2kb2 h LEU 132 N -0.95 -1.80 -1.24 1.67 5.85 -0.57 0.16 115.31 118.42 2kb2 h LEU 132 Ca -0.02 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2kb2 h LEU 132 Cb 1.07 0.76 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 2kb2 h LEU 132 CO 0.01 -0.38 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.42 2kb2 h SER 133 N -0.33 0.00 0.57 1.25 0.87 -1.19 -1.35 113.55 113.37 2kb2 h SER 133 Ca 0.10 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 2kb2 h SER 133 Cb 0.58 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2kb2 h SER 133 CO -0.64 0.03 -0.75 0.00 -0.53 0.00 0.00 176.83 174.95 2kb2 h ALA 134 N 1.97 0.71 0.18 6.23 0.00 -0.82 0.18 119.26 127.72 2kb2 h ALA 134 Ca -0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 54.91 53.95 2kb2 h ALA 134 Cb 0.60 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.32 2kb2 h ALA 134 CO 0.00 0.86 -1.45 0.35 0.00 0.00 0.00 179.25 179.01 2kb2 h PHE 135 N 0.09 0.69 -0.24 0.00 3.57 -0.51 0.18 116.94 120.72 2kb2 h PHE 135 Ca -0.02 -0.51 -0.08 0.00 3.53 0.00 0.00 57.97 60.90 2kb2 h PHE 135 Cb 1.31 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2kb2 h PHE 135 CO 0.02 1.45 -0.18 0.82 -2.23 0.00 0.00 178.31 178.19 2kb2 h ILE 136 N 0.10 1.24 0.00 1.41 5.03 -1.21 0.17 117.51 124.25 2kb2 h ILE 136 Ca -0.23 -1.09 -0.03 0.00 -0.12 0.00 0.00 64.86 63.40 2kb2 h ILE 136 Cb 2.07 1.26 -0.00 0.00 -3.03 0.00 0.00 36.82 37.11 2kb2 h ILE 136 CO 0.22 0.35 -0.46 0.00 -0.68 0.00 0.00 178.15 177.58 2kb2 h ALA 137 N 1.42 0.04 0.07 1.87 0.00 -0.67 -3.31 119.26 118.68 2kb2 h ALA 137 Ca 0.07 -0.48 -0.37 0.00 0.00 0.00 0.00 54.91 54.13 2kb2 h ALA 137 Cb 0.55 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2kb2 h ALA 137 CO 0.04 0.38 -2.14 -0.25 0.00 0.00 0.00 179.25 177.28 2kb2 n ASP 138 N -4.63 1.81 0.00 0.00 9.92 0.60 -4.95 116.55 119.30 2kb2 n ASP 138 Ca -0.09 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2kb2 n ASP 138 Cb 0.27 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 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 2.01 2.30 2.38 0.44 0.00 0.58 -4.43 105.19 108.48 2kb2 n GLY 139 Ca -0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -0.04 2.98 -0.02 0.00 -1.26 -4.88 105.19 101.97 2kb2 n GLY 140 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb2 s ARG 141 N 0.07 2.41 1.03 1.61 1.81 -1.26 -5.09 118.95 119.52 2kb2 s ARG 141 Ca 0.06 -2.92 -0.12 0.00 -1.72 0.00 0.00 55.73 51.03 2kb2 s ARG 141 Cb 0.16 -3.51 0.17 0.00 -0.45 0.00 0.00 34.95 31.32 2kb2 s ARG 141 CO -0.04 -1.20 0.86 2.48 -0.68 0.00 0.00 175.30 176.72 2kb2 n TYR 142 N 2.72 -0.45 -2.69 -0.53 4.11 -1.26 -4.93 117.16 114.12 2kb2 n TYR 142 Ca 0.12 0.17 -0.43 0.00 -0.00 0.00 0.00 57.90 57.76 2kb2 n TYR 142 Cb 0.35 -1.82 -0.02 0.00 -0.00 0.00 0.00 39.34 37.84 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kb2 n LEU 144 N 5.71 3.22 -4.75 0.00 7.99 -1.26 -4.98 117.00 122.93 2kb2 n LEU 144 Ca 0.10 0.57 -0.30 0.00 -0.01 0.00 0.00 56.01 56.36 2kb2 n LEU 144 Cb 0.47 -1.42 0.11 0.00 -0.11 0.00 0.00 43.42 42.48 2kb2 n LEU 144 CO 0.52 -2.18 0.69 -2.16 -1.51 0.00 0.00 177.39 172.74 2kb2 s PRO 145 N -3.75 1.81 -0.27 3.23 0.04 -1.26 -5.05 135.00 129.75 2kb2 s PRO 145 Ca 0.70 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.76 2kb2 s PRO 145 Cb -0.30 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.44 2kb2 s PRO 145 CO 0.54 -1.91 -0.09 -2.00 0.04 0.00 0.00 177.00 173.57 2kb2 s GLU 146 N -4.92 2.27 -0.14 4.56 2.56 -1.26 -4.99 118.70 116.77 2kb2 s GLU 146 Ca 0.62 -1.33 0.02 0.00 0.00 0.00 0.00 54.97 54.27 2kb2 s GLU 146 Cb -0.17 -2.93 0.23 0.00 2.00 0.00 0.00 34.13 33.26 2kb2 s GLU 146 CO 0.56 -0.58 1.26 -0.35 -0.56 0.00 0.00 175.26 175.60 2kb2 n PRO 147 N 4.46 1.53 0.00 4.30 -0.05 -1.26 -5.36 135.00 138.62 2kb2 n PRO 147 Ca -0.14 -1.02 0.14 0.00 -0.05 0.00 0.00 63.50 62.43 2kb2 n PRO 147 Cb 0.42 -1.44 0.54 0.00 -0.05 0.00 0.00 33.50 32.97 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34