#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 0.89 -0.01 1.61 2.56 -1.26 -5.11 118.70 117.39 2kb2 s GLU 2 Ca 0.00 -1.85 0.05 0.00 0.00 0.00 0.00 54.97 53.17 2kb2 s GLU 2 Cb 0.00 -1.59 -0.01 0.00 2.00 0.00 0.00 34.13 34.53 2kb2 s GLU 2 CO 0.00 -1.28 -0.16 0.12 -0.56 0.00 0.00 175.26 173.38 2kb2 s PHE 3 N 0.42 1.42 0.93 5.30 5.36 -1.26 -5.14 117.98 125.01 2kb2 s PHE 3 Ca 0.25 -0.28 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 2kb2 s PHE 3 Cb -0.11 -0.90 0.15 0.00 -0.34 0.00 0.00 43.02 41.82 2kb2 s PHE 3 CO -0.09 -0.01 1.11 0.00 -1.46 0.00 0.00 175.22 174.77 2kb2 s MET 4 N -0.47 0.92 0.66 10.12 0.23 -1.26 -4.99 119.30 124.51 2kb2 s MET 4 Ca 0.06 1.32 -0.02 0.00 -1.03 0.00 0.00 55.69 56.02 2kb2 s MET 4 Cb -0.06 -1.73 0.13 0.00 -1.53 0.00 0.00 34.83 31.64 2kb2 s MET 4 CO -0.00 -2.62 0.90 1.28 -2.03 0.00 0.00 175.02 172.54 2kb2 n LEU 5 N -4.21 0.00 -3.52 0.18 4.32 0.12 -4.59 117.00 109.31 2kb2 n LEU 5 Ca 0.10 -1.72 -0.14 0.00 -0.02 0.00 0.00 56.01 54.23 2kb2 n LEU 5 Cb 0.53 -0.60 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 2kb2 n LEU 5 CO 0.52 -0.98 0.34 -0.89 -1.22 0.00 0.00 177.39 175.16 2kb2 s THR 6 N -2.74 0.02 -0.33 -5.08 2.01 0.18 -0.53 115.64 109.17 2kb2 s THR 6 Ca 0.58 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.45 2kb2 s THR 6 Cb -0.03 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.58 2kb2 s THR 6 CO 0.39 -0.08 0.08 -0.89 -0.69 0.00 0.00 174.62 173.42 2kb2 s THR 7 N -2.77 1.69 -0.05 -0.82 2.01 0.10 0.96 115.64 116.76 2kb2 s THR 7 Ca -0.03 -1.98 -0.14 0.00 0.31 0.00 0.00 61.69 59.84 2kb2 s THR 7 Cb -0.00 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 2kb2 s THR 7 CO -0.04 -0.64 0.38 -0.22 -0.69 0.00 0.00 174.62 173.40 2kb2 s LEU 8 N 1.17 4.41 0.01 4.42 0.20 0.66 -1.97 118.68 127.58 2kb2 s LEU 8 Ca 0.11 0.84 0.01 0.00 0.69 0.00 0.00 54.13 55.78 2kb2 s LEU 8 Cb -0.18 -2.53 -0.01 0.00 -0.43 0.00 0.00 46.19 43.04 2kb2 s LEU 8 CO -0.15 0.26 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.50 2kb2 s ILE 9 N -0.65 0.33 0.24 6.68 1.01 -0.37 0.03 121.20 128.47 2kb2 s ILE 9 Ca 0.22 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2kb2 s ILE 9 Cb -0.16 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 2kb2 s ILE 9 CO 0.11 -0.15 0.40 -0.72 0.00 0.00 0.00 174.94 174.58 2kb2 s TYR 10 N -0.69 0.59 -0.07 3.97 -0.85 -0.84 0.13 117.35 119.59 2kb2 s TYR 10 Ca -0.05 -0.91 -0.03 0.00 -0.52 0.00 0.00 57.07 55.56 2kb2 s TYR 10 Cb -0.05 0.00 0.04 0.00 0.38 0.00 0.00 41.96 42.33 2kb2 s TYR 10 CO -0.00 -0.92 0.15 -0.98 -1.52 0.00 0.00 175.55 172.28 2kb2 s ARG 11 N -3.98 0.11 0.00 -3.49 1.70 -0.78 -0.90 118.95 111.60 2kb2 s ARG 11 Ca 0.27 0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.89 2kb2 s ARG 11 Cb 0.01 -0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 2kb2 s ARG 11 CO 0.10 -0.15 0.00 -1.13 -1.08 0.00 0.00 175.30 173.04 2kb2 n SER 12 N 4.08 1.55 0.00 -2.89 3.41 0.35 -1.15 113.62 118.98 2kb2 n SER 12 Ca -0.25 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 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 1.63 -3.53 4.33 6.02 0.94 -1.44 117.38 125.32 2kb2 n GLN 13 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2kb2 n GLN 13 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 2kb2 n GLN 13 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2kb2 n VAL 14 N 0.00 0.00 -3.19 5.09 3.14 0.75 -3.61 118.33 120.51 2kb2 n VAL 14 Ca 0.00 -0.56 -0.45 0.00 -2.96 0.00 0.00 64.34 60.37 2kb2 n VAL 14 Cb 0.00 0.71 -0.05 0.00 -1.06 0.00 0.00 33.84 33.44 2kb2 n VAL 14 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 2kb2 s HIS 15 N -2.69 3.10 0.55 1.45 2.46 -1.25 -4.72 115.29 114.19 2kb2 s HIS 15 Ca 0.19 -1.04 0.21 0.00 0.47 0.00 0.00 55.06 54.89 2kb2 s HIS 15 Cb -0.03 -3.87 1.17 0.00 -0.13 0.00 0.00 32.58 29.72 2kb2 s HIS 15 CO 0.06 -1.16 1.63 -1.00 -2.47 0.00 0.00 174.74 171.80 2kb2 h PRO 16 N 9.05 0.00 0.04 2.88 0.13 -1.94 0.16 132.00 142.32 2kb2 h PRO 16 Ca -0.29 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.56 2kb2 h PRO 16 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 2kb2 h PRO 16 CO 1.06 0.00 -1.47 0.22 -0.23 0.00 0.00 178.00 177.58 2kb2 h ASP 17 N 0.00 0.14 -3.38 1.44 1.82 -2.01 -3.48 116.42 110.95 2kb2 h ASP 17 Ca 0.00 -0.65 -0.49 0.00 -0.39 0.00 0.00 57.03 55.50 2kb2 h ASP 17 Cb 0.91 -0.04 0.22 0.00 0.68 0.00 0.00 39.33 41.09 2kb2 h ASP 17 CO 0.00 1.60 -0.35 0.54 -1.61 0.00 0.00 179.24 179.42 2kb2 n ARG 18 N -4.14 -1.04 -1.80 0.28 3.00 0.04 -5.02 116.66 107.97 2kb2 n ARG 18 Ca -0.32 -0.26 -0.30 0.00 -0.01 0.00 0.00 57.85 56.96 2kb2 n ARG 18 Cb 0.79 -2.03 0.18 0.00 0.00 0.00 0.00 32.46 31.41 2kb2 n ARG 18 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kb2 s PRO 19 N -4.02 0.57 0.89 5.56 0.04 -1.26 -4.91 135.00 131.86 2kb2 s PRO 19 Ca 0.62 -0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.25 2kb2 s PRO 19 Cb -0.21 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.56 2kb2 s PRO 19 CO 0.64 -2.48 0.66 -2.30 0.04 0.00 0.00 177.00 173.56 2kb2 n PRO 20 N -3.85 -0.16 -3.37 0.56 -0.02 -1.26 -4.99 135.00 121.92 2kb2 n PRO 20 Ca 0.14 0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 2kb2 n PRO 20 Cb 0.60 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 2kb2 n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kb2 s VAL 21 N -2.32 4.97 -1.28 -1.45 1.01 -1.26 -4.97 120.40 115.09 2kb2 s VAL 21 Ca 0.62 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.85 2kb2 s VAL 21 Cb -0.25 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2kb2 s VAL 21 CO 0.62 -0.18 2.75 0.47 0.00 0.00 0.00 175.10 178.77 2kb2 n ASP 22 N -0.46 8.02 0.00 3.32 9.92 -1.26 -4.73 116.55 131.37 2kb2 n ASP 22 Ca -0.00 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 51.40 2kb2 n ASP 22 Cb 0.53 -1.44 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 2.48 0.00 -0.12 0.64 4.77 -1.26 0.16 117.00 123.67 2kb2 n LEU 23 Ca 0.67 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.45 2kb2 n LEU 23 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2kb2 n LEU 23 CO 0.69 0.00 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.80 2kb2 n ASP 24 N -0.65 2.02 0.07 -1.43 -0.08 -1.26 -4.25 116.55 110.96 2kb2 n ASP 24 Ca 0.00 0.05 -0.01 0.00 -1.51 0.00 0.00 54.79 53.32 2kb2 n ASP 24 Cb 0.00 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 42.90 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 -0.36 0.62 -0.42 -1.67 0.00 -0.40 -2.70 119.26 114.33 2kb2 h ALA 25 Ca -0.55 -0.79 -0.10 0.00 0.00 0.00 0.00 54.91 53.47 2kb2 h ALA 25 Cb 1.67 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2kb2 h ALA 25 CO -0.20 0.95 -0.13 1.25 0.00 0.00 0.00 179.25 181.12 2kb2 h LEU 26 N 0.00 0.84 0.01 0.00 6.46 0.13 -2.86 115.31 119.89 2kb2 h LEU 26 Ca -0.10 -0.37 -0.25 0.00 -0.12 0.00 0.00 57.88 57.03 2kb2 h LEU 26 Cb 1.60 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.26 2kb2 h LEU 26 CO 0.07 1.02 -1.36 1.62 -0.62 0.00 0.00 178.44 179.16 2kb2 h VAL 27 N 0.65 1.28 0.51 1.05 3.04 -1.74 -3.30 116.25 117.72 2kb2 h VAL 27 Ca 0.10 -3.05 -0.01 0.00 -1.01 0.00 0.00 66.70 62.73 2kb2 h VAL 27 Cb 0.67 2.64 -0.02 0.00 -2.01 0.00 0.00 31.29 32.57 2kb2 h VAL 27 CO 0.05 0.74 -0.44 -0.74 -1.01 0.00 0.00 177.57 176.17 2kb2 h HIS 28 N 0.00 -1.18 0.00 3.17 6.17 -1.42 0.56 115.15 122.45 2kb2 h HIS 28 Ca -0.15 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 60.93 2kb2 h HIS 28 Cb 1.90 0.45 -0.00 0.00 2.52 0.00 0.00 27.41 32.28 2kb2 h HIS 28 CO 0.00 -0.61 -0.02 0.00 0.71 0.00 0.00 177.93 178.02 2kb2 h ARG 29 N -0.93 0.00 0.16 5.26 -0.00 -1.67 -2.55 114.38 114.64 2kb2 h ARG 29 Ca -0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 2kb2 h ARG 29 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.77 2kb2 h ARG 29 CO -0.02 0.02 -0.08 0.00 0.00 0.00 0.00 179.97 179.89 2kb2 h ALA 30 N 1.98 -0.23 -0.81 0.04 0.00 -1.39 -3.16 119.26 115.69 2kb2 h ALA 30 Ca -0.00 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.10 2kb2 h ALA 30 Cb 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2kb2 h ALA 30 CO 0.00 -0.22 0.60 1.03 0.00 0.00 0.00 179.25 180.66 2kb2 h SER 31 N -0.95 0.00 0.17 0.00 0.87 -0.82 0.39 113.55 113.21 2kb2 h SER 31 Ca -0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2kb2 h SER 31 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kb2 h SER 31 CO 0.04 0.00 -0.40 -1.28 -0.53 0.00 0.00 176.83 174.66 2kb2 h SER 32 N 0.00 0.31 0.11 6.23 0.87 -1.54 -1.15 113.55 118.39 2kb2 h SER 32 Ca 0.38 -0.13 -0.26 0.00 -1.23 0.00 0.00 61.79 60.56 2kb2 h SER 32 Cb 1.58 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2kb2 h SER 32 CO -0.00 0.68 -1.31 0.50 -0.53 0.00 0.00 176.83 176.17 2kb2 h LYS 33 N 0.25 0.24 -0.28 2.24 3.64 -0.30 -3.37 116.57 118.99 2kb2 h LYS 33 Ca 0.02 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 58.92 2kb2 h LYS 33 Cb 0.82 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2kb2 h LYS 33 CO 0.06 1.19 -0.17 -0.91 -2.27 0.00 0.00 179.45 177.36 2kb2 h ASN 34 N -0.35 0.48 0.29 4.20 4.21 -1.02 -2.68 115.58 120.71 2kb2 h ASN 34 Ca -0.28 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.09 2kb2 h ASN 34 Cb 1.72 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 38.76 2kb2 h ASN 34 CO 0.06 0.67 -0.47 0.25 -1.29 0.00 0.00 177.43 176.65 2kb2 h LEU 35 N 0.45 -1.34 -1.53 1.61 5.85 -1.35 0.26 115.31 119.26 2kb2 h LEU 35 Ca 0.08 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2kb2 h LEU 35 Cb 0.55 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2kb2 h LEU 35 CO 0.04 -0.55 -0.22 1.55 -0.34 0.00 0.00 178.44 178.91 2kb2 h PRO 36 N -0.80 0.00 0.00 5.25 0.13 -1.73 -2.11 132.00 132.74 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 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kb2 h PRO 36 CO -0.15 0.22 -0.05 -0.07 -0.23 0.00 0.00 178.00 177.73 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 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2kb2 h LEU 37 CO 0.03 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 2kb2 n GLY 38 N 0.11 0.75 3.81 0.83 0.00 0.02 -4.91 105.19 105.80 2kb2 n GLY 38 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.01 4.70 0.07 -0.61 1.01 0.69 -4.56 121.20 120.49 2kb2 s ILE 39 Ca 0.00 1.21 0.06 0.00 0.00 0.00 0.00 60.65 61.92 2kb2 s ILE 39 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2kb2 s ILE 39 CO 0.00 0.45 -0.15 0.42 0.00 0.00 0.00 174.94 175.66 2kb2 s THR 40 N -1.23 1.21 -3.08 2.92 -4.23 -1.11 -4.10 115.64 106.02 2kb2 s THR 40 Ca 0.33 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2kb2 s THR 40 Cb -0.19 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.51 2kb2 s THR 40 CO 0.20 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2kb2 n GLY 41 N 1.32 -0.95 3.30 3.99 0.00 -0.92 0.97 105.19 112.90 2kb2 n GLY 41 Ca -0.21 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 2kb2 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kb2 s ILE 42 N -3.00 0.07 0.32 -0.61 2.07 -0.51 -3.54 121.20 116.00 2kb2 s ILE 42 Ca 0.00 -0.56 0.10 0.00 -1.41 0.00 0.00 60.65 58.78 2kb2 s ILE 42 Cb 0.00 -1.01 -0.06 0.00 0.13 0.00 0.00 42.46 41.52 2kb2 s ILE 42 CO 0.00 -0.31 -0.09 -0.76 -1.91 0.00 0.00 174.94 171.87 2kb2 s LEU 43 N -2.22 2.80 0.02 8.50 1.43 -0.53 -0.43 118.68 128.24 2kb2 s LEU 43 Ca -0.03 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 51.98 2kb2 s LEU 43 Cb -0.00 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2kb2 s LEU 43 CO -0.05 -0.12 0.06 -0.76 0.23 0.00 0.00 176.35 175.70 2kb2 s LEU 44 N -3.61 1.92 -0.15 1.79 1.02 0.21 0.40 118.68 120.26 2kb2 s LEU 44 Ca 0.32 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.92 2kb2 s LEU 44 Cb -0.01 0.43 0.05 0.00 0.02 0.00 0.00 46.19 46.68 2kb2 s LEU 44 CO 0.17 -0.41 0.36 0.12 0.02 0.00 0.00 176.35 176.62 2kb2 s PHE 45 N -1.97 -0.49 -0.00 0.29 5.36 -0.75 -1.95 117.98 118.47 2kb2 s PHE 45 Ca -0.11 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 2kb2 s PHE 45 Cb -0.05 0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 2kb2 s PHE 45 CO -0.02 -0.28 0.94 0.27 -1.46 0.00 0.00 175.22 174.67 2kb2 n ASN 46 N 3.89 1.75 0.00 6.13 0.23 -1.14 0.70 115.26 126.81 2kb2 n ASN 46 Ca -0.21 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 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 -0.44 0.57 0.00 4.83 0.00 -1.26 -4.73 105.19 104.15 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 -4.41 0.99 -0.00 -1.26 -4.96 117.00 107.36 2kb2 n LEU 48 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 2kb2 n LEU 48 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2kb2 n LEU 48 CO 0.00 0.00 -0.53 -1.10 -0.00 0.00 0.00 177.39 175.76 2kb2 s GLN 49 N -1.00 1.94 -0.34 1.96 -0.21 -1.26 -0.18 119.66 120.57 2kb2 s GLN 49 Ca 0.00 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.28 2kb2 s GLN 49 Cb 0.00 -2.09 0.05 0.00 1.00 0.00 0.00 33.01 31.97 2kb2 s GLN 49 CO 0.00 0.53 0.10 -0.06 -2.12 0.00 0.00 175.29 173.74 2kb2 s PHE 50 N -0.87 3.28 -0.14 0.91 0.08 -0.52 -2.89 117.98 117.82 2kb2 s PHE 50 Ca 0.13 -1.55 -0.08 0.00 0.12 0.00 0.00 56.93 55.56 2kb2 s PHE 50 Cb -0.10 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 2kb2 s PHE 50 CO 0.04 -0.76 0.13 0.12 -0.10 0.00 0.00 175.22 174.64 2kb2 s PHE 51 N 1.37 3.51 -0.05 0.36 5.36 -0.82 -0.49 117.98 127.20 2kb2 s PHE 51 Ca -0.02 0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 56.38 2kb2 s PHE 51 Cb -0.20 -2.00 0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2kb2 s PHE 51 CO 0.02 0.58 0.00 -1.14 -1.46 0.00 0.00 175.22 173.22 2kb2 s GLN 52 N -0.58 0.48 -0.55 10.12 0.74 -0.08 0.64 119.66 130.43 2kb2 s GLN 52 Ca 0.12 0.11 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 2kb2 s GLN 52 Cb -0.12 -0.79 0.08 0.00 1.10 0.00 0.00 33.01 33.28 2kb2 s GLN 52 CO 0.02 -0.24 0.69 0.08 -0.55 0.00 0.00 175.29 175.28 2kb2 s VAL 53 N 1.66 4.81 -0.10 1.34 1.01 0.42 -1.98 120.40 127.56 2kb2 s VAL 53 Ca -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2kb2 s VAL 53 Cb -0.13 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2kb2 s VAL 53 CO -0.03 -0.98 0.06 -0.22 0.00 0.00 0.00 175.10 173.92 2kb2 s LEU 54 N 2.77 3.90 0.25 3.92 2.96 0.10 -1.42 118.68 131.16 2kb2 s LEU 54 Ca 0.14 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.38 2kb2 s LEU 54 Cb -0.21 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2kb2 s LEU 54 CO 0.10 0.39 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.85 2kb2 s GLU 55 N -0.96 1.43 0.00 1.98 0.41 0.27 -0.25 118.70 121.58 2kb2 s GLU 55 Ca 0.14 -1.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 2kb2 s GLU 55 Cb -0.12 -0.95 0.00 0.00 -1.78 0.00 0.00 34.13 31.28 2kb2 s GLU 55 CO 0.03 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 2kb2 n GLY 56 N -0.48 0.83 3.78 -1.39 0.00 0.27 -2.76 105.19 105.44 2kb2 n GLY 56 Ca -0.06 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 2kb2 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb2 s THR 57 N -0.92 2.02 0.27 2.61 -4.23 -1.26 0.51 115.64 114.63 2kb2 s THR 57 Ca 0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2kb2 s THR 57 Cb 0.00 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 71.09 2kb2 s THR 57 CO 0.00 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 175.70 2kb2 h GLU 58 N 3.26 0.35 -0.78 3.99 4.81 -1.87 0.38 114.58 124.72 2kb2 h GLU 58 Ca -0.50 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 58.84 2kb2 h GLU 58 Cb 1.24 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2kb2 h GLU 58 CO 0.66 0.23 0.51 1.05 -0.73 0.00 0.00 179.01 180.74 2kb2 h GLU 59 N 0.36 0.51 0.19 1.92 4.11 -1.98 0.12 114.58 119.80 2kb2 h GLU 59 Ca 0.48 -0.03 -0.32 0.00 0.07 0.00 0.00 59.36 59.56 2kb2 h GLU 59 Cb 0.85 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2kb2 h GLU 59 CO -0.51 0.33 -1.48 0.00 0.07 0.00 0.00 179.01 177.42 2kb2 h ALA 60 N 1.63 0.03 -0.35 1.06 0.00 -0.71 -3.24 119.26 117.69 2kb2 h ALA 60 Ca 0.38 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2kb2 h ALA 60 Cb 0.74 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2kb2 h ALA 60 CO -0.14 0.90 0.05 -0.07 0.00 0.00 0.00 179.25 179.99 2kb2 h LEU 61 N 0.11 0.57 0.69 0.00 3.38 0.08 -1.35 115.31 118.79 2kb2 h LEU 61 Ca -0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2kb2 h LEU 61 Cb 2.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 2kb2 h LEU 61 CO 0.22 0.69 -0.46 -0.08 0.09 0.00 0.00 178.44 178.90 2kb2 h GLU 62 N 0.42 -1.06 -0.33 1.13 4.81 -0.94 0.17 114.58 118.78 2kb2 h GLU 62 Ca 0.11 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2kb2 h GLU 62 Cb 0.37 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2kb2 h GLU 62 CO 0.01 -0.70 0.09 0.77 -0.73 0.00 0.00 179.01 178.45 2kb2 h SER 63 N -1.10 0.07 0.67 1.04 0.02 -1.60 0.20 113.55 112.86 2kb2 h SER 63 Ca -0.09 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2kb2 h SER 63 Cb 0.89 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2kb2 h SER 63 CO 0.07 0.08 -0.38 0.25 -1.14 0.00 0.00 176.83 175.70 2kb2 h LEU 64 N 0.22 -0.95 -1.99 5.07 7.12 -1.16 0.79 115.31 124.41 2kb2 h LEU 64 Ca 0.15 0.05 0.28 0.00 0.13 0.00 0.00 57.88 58.49 2kb2 h LEU 64 Cb 0.15 0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 2kb2 h LEU 64 CO -0.18 -0.61 0.71 0.15 -0.13 0.00 0.00 178.44 178.39 2kb2 h PHE 65 N -0.98 0.00 0.00 1.25 3.57 -0.56 0.90 116.94 121.12 2kb2 h PHE 65 Ca -0.09 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.27 2kb2 h PHE 65 Cb 0.77 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2kb2 h PHE 65 CO -0.02 0.00 -0.68 1.03 -2.23 0.00 0.00 178.31 176.41 2kb2 h SER 66 N 0.00 0.00 0.68 0.41 0.87 0.37 -2.79 113.55 113.09 2kb2 h SER 66 Ca 0.47 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.89 2kb2 h SER 66 Cb 1.89 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 2kb2 h SER 66 CO -0.00 0.68 -0.65 -0.33 -0.53 0.00 0.00 176.83 175.99 2kb2 h GLU 67 N 0.00 0.00 0.37 2.24 4.39 0.31 -3.02 114.58 118.88 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 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2kb2 h GLU 67 CO 0.09 0.65 -0.18 0.82 -1.16 0.00 0.00 179.01 179.23 2kb2 h ILE 68 N 0.00 0.64 0.00 3.13 5.03 -0.90 -2.42 117.51 122.99 2kb2 h ILE 68 Ca -0.01 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 2kb2 h ILE 68 Cb 1.17 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 35.73 2kb2 h ILE 68 CO 0.08 0.05 0.00 0.00 -0.68 0.00 0.00 178.15 177.61 2kb2 n GLN 69 N -5.24 0.01 -0.20 2.37 6.02 -1.07 -0.85 117.38 118.41 2kb2 n GLN 69 Ca -0.10 0.35 0.11 0.00 -0.01 0.00 0.00 57.00 57.34 2kb2 n GLN 69 Cb 0.25 -1.53 0.26 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.56 3.00 -4.87 1.08 2.88 -0.93 -4.94 113.62 108.28 2kb2 n SER 70 Ca 0.02 -1.94 -0.31 0.00 -1.33 0.00 0.00 58.87 55.31 2kb2 n SER 70 Cb 0.12 -0.27 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.35 6.63 0.09 -3.46 1.11 -0.03 -5.02 116.67 114.65 2kb2 s ASP 71 Ca 0.38 1.04 0.16 0.00 0.18 0.00 0.00 52.55 54.31 2kb2 s ASP 71 Cb 0.21 -2.28 -0.11 0.00 1.07 0.00 0.00 42.92 41.81 2kb2 s ASP 71 CO 0.29 -0.18 0.92 1.55 1.18 0.00 0.00 175.17 178.93 2kb2 h PRO 72 N 2.14 0.00 0.00 8.23 0.13 -1.92 -3.43 132.00 137.15 2kb2 h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kb2 h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kb2 h PRO 72 CO 0.67 0.34 0.00 -2.13 -0.23 0.00 0.00 178.00 176.64 2kb2 n ARG 73 N -2.95 0.00 -0.13 0.86 0.63 -1.26 -4.85 116.66 108.96 2kb2 n ARG 73 Ca -0.08 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.79 2kb2 n ARG 73 Cb 0.83 -0.70 0.05 0.00 0.45 0.00 0.00 32.46 33.09 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 -0.23 -2.83 -3.79 -0.14 1.44 -1.26 -3.94 115.22 104.47 2kb2 n HIS 74 Ca 0.00 -0.17 -0.06 0.00 -2.01 0.00 0.00 57.72 55.48 2kb2 n HIS 74 Cb 0.00 -0.22 0.02 0.00 0.12 0.00 0.00 29.99 29.91 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 -2.37 0.87 -3.02 -1.40 1.85 -1.24 -4.76 116.66 106.59 2kb2 n ARG 75 Ca 0.03 -1.78 -0.15 0.00 -1.00 0.00 0.00 57.85 54.95 2kb2 n ARG 75 Cb 0.11 2.28 -0.03 0.00 -1.05 0.00 0.00 32.46 33.78 2kb2 n ARG 75 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb2 n ASP 76 N -1.39 -1.17 -4.76 2.89 9.92 -1.26 -0.04 116.55 120.73 2kb2 n ASP 76 Ca -0.06 -0.15 -0.40 0.00 -0.53 0.00 0.00 54.79 53.65 2kb2 n ASP 76 Cb 0.55 -1.09 0.01 0.00 -0.64 0.00 0.00 41.12 39.95 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2kb2 n VAL 77 N -2.77 2.49 -3.88 2.53 3.14 -1.26 -4.58 118.33 114.00 2kb2 n VAL 77 Ca 0.04 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.77 2kb2 n VAL 77 Cb 0.43 -1.87 -0.15 0.00 -1.06 0.00 0.00 33.84 31.19 2kb2 n VAL 77 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2kb2 s VAL 78 N -1.16 0.07 -0.31 1.55 1.01 -0.30 -4.94 120.40 116.32 2kb2 s VAL 78 Ca 0.58 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 2kb2 s VAL 78 Cb -0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2kb2 s VAL 78 CO 0.60 0.08 1.88 -0.70 0.00 0.00 0.00 175.10 176.96 2kb2 s GLU 79 N 0.61 3.30 -0.04 2.72 2.12 -1.26 -1.86 118.70 124.29 2kb2 s GLU 79 Ca -0.05 1.55 -0.03 0.00 0.36 0.00 0.00 54.97 56.80 2kb2 s GLU 79 Cb -0.08 -4.23 -0.27 0.00 0.26 0.00 0.00 34.13 29.81 2kb2 s GLU 79 CO -0.01 -1.90 0.70 -0.07 -0.54 0.00 0.00 175.26 173.43 2kb2 h LEU 80 N 13.94 0.38 -8.33 2.70 4.07 0.75 -3.48 115.31 125.34 2kb2 h LEU 80 Ca -0.35 -0.62 -0.12 0.00 0.08 0.00 0.00 57.88 56.87 2kb2 h LEU 80 Cb 1.18 -0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.69 2kb2 h LEU 80 CO 1.02 1.53 -0.30 -0.32 -1.08 0.00 0.00 178.44 179.29 2kb2 s MET 81 N -2.60 1.40 0.00 1.13 1.75 0.90 -4.90 119.30 116.98 2kb2 s MET 81 Ca -0.12 -1.36 0.00 0.00 -1.25 0.00 0.00 55.69 52.95 2kb2 s MET 81 Cb 0.07 0.40 0.00 0.00 2.84 0.00 0.00 34.83 38.13 2kb2 s MET 81 CO 0.83 -0.54 0.00 -2.13 -0.65 0.00 0.00 175.02 172.53 2kb2 n ARG 82 N -0.33 0.00 -4.44 4.11 0.63 -1.07 -1.24 116.66 114.32 2kb2 n ARG 82 Ca -0.01 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.66 2kb2 n ARG 82 Cb 0.63 0.00 -0.11 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 3.51 0.45 6.15 2.15 -0.83 -4.91 116.67 123.19 2kb2 s ASP 83 Ca 0.00 -0.94 -0.23 0.00 0.43 0.00 0.00 52.55 51.81 2kb2 s ASP 83 Cb 0.00 -0.28 -0.07 0.00 -0.30 0.00 0.00 42.92 42.27 2kb2 s ASP 83 CO 0.00 0.08 1.18 -0.31 -0.17 0.00 0.00 175.17 175.96 2kb2 s TYR 84 N -2.05 2.87 0.28 -5.34 2.02 -1.26 0.01 117.35 113.89 2kb2 s TYR 84 Ca 0.25 1.52 -0.07 0.00 -0.37 0.00 0.00 57.07 58.40 2kb2 s TYR 84 Cb -0.07 -3.42 -0.01 0.00 -0.40 0.00 0.00 41.96 38.07 2kb2 s TYR 84 CO 0.12 -1.58 0.44 -1.12 -1.57 0.00 0.00 175.55 171.84 2kb2 s SER 85 N -1.27 0.34 0.00 2.29 0.01 0.32 -4.74 113.70 110.65 2kb2 s SER 85 Ca 0.63 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2kb2 s SER 85 Cb -0.30 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2kb2 s SER 85 CO 0.37 -1.17 0.32 0.00 0.41 0.00 0.00 173.24 173.16 2kb2 n ALA 86 N -0.44 0.98 -3.27 1.44 0.00 -1.26 0.13 120.51 118.09 2kb2 n ALA 86 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 2kb2 n ALA 86 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 2kb2 n ALA 86 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kb2 s TYR 87 N 0.00 -0.39 -0.48 0.00 1.13 -1.26 -4.78 117.35 111.57 2kb2 s TYR 87 Ca 0.00 0.92 -0.24 0.00 -1.41 0.00 0.00 57.07 56.34 2kb2 s TYR 87 Cb 0.00 0.14 0.03 0.00 -1.10 0.00 0.00 41.96 41.03 2kb2 s TYR 87 CO 0.00 -0.23 0.85 1.03 -2.51 0.00 0.00 175.55 174.69 2kb2 s ARG 88 N -0.01 3.40 0.18 -3.49 0.52 -1.26 -4.91 118.95 113.38 2kb2 s ARG 88 Ca -0.02 -0.12 0.05 0.00 -0.52 0.00 0.00 55.73 55.12 2kb2 s ARG 88 Cb -0.03 -3.97 0.04 0.00 0.52 0.00 0.00 34.95 31.51 2kb2 s ARG 88 CO 0.01 -1.24 1.42 0.00 0.02 0.00 0.00 175.30 175.51 2kb2 h ARG 89 N 9.09 0.14 -1.79 3.54 3.08 -1.95 -3.26 114.38 123.22 2kb2 h ARG 89 Ca -0.25 -0.14 -0.73 0.00 0.07 0.00 0.00 59.98 58.92 2kb2 h ARG 89 Cb 1.08 0.04 -0.27 0.00 0.08 0.00 0.00 29.97 30.90 2kb2 h ARG 89 CO 1.01 0.89 0.99 1.19 -1.07 0.00 0.00 179.97 182.97 2kb2 n PHE 90 N -3.65 2.95 -1.70 3.04 3.01 -1.26 -2.74 117.46 117.11 2kb2 n PHE 90 Ca -0.03 -2.44 -0.43 0.00 1.01 0.00 0.00 57.45 55.56 2kb2 n PHE 90 Cb 0.78 -1.25 -0.01 0.00 -0.01 0.00 0.00 39.48 38.98 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 -0.54 2.34 0.00 1.38 -0.00 -1.23 -1.23 115.22 115.95 2kb2 n HIS 91 Ca 0.55 0.46 0.00 0.00 0.46 0.00 0.00 57.72 59.20 2kb2 n HIS 91 Cb 0.34 -2.46 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 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 1.45 2.94 2.95 1.57 0.00 -1.26 -4.87 105.19 107.97 2kb2 n GLY 92 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.20 2.61 0.41 2.61 2.01 -0.36 -4.95 115.64 116.77 2kb2 s THR 93 Ca 0.00 -3.34 0.09 0.00 0.31 0.00 0.00 61.69 58.75 2kb2 s THR 93 Cb 0.00 -2.81 0.29 0.00 0.01 0.00 0.00 72.50 69.99 2kb2 s THR 93 CO 0.00 -0.80 2.02 1.23 -0.69 0.00 0.00 174.62 176.38 2kb2 h GLY 94 N 6.48 0.63 -5.14 4.40 0.00 -1.78 -3.26 103.07 104.40 2kb2 h GLY 94 Ca -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2kb2 h GLY 94 CO 0.69 0.18 0.24 -0.29 0.00 0.00 0.00 176.54 177.36 2kb2 s MET 95 N -5.49 0.72 -0.28 4.80 1.75 -1.25 -2.16 119.30 117.39 2kb2 s MET 95 Ca -0.08 0.87 0.01 0.00 -1.25 0.00 0.00 55.69 55.23 2kb2 s MET 95 Cb 0.18 0.35 0.16 0.00 2.84 0.00 0.00 34.83 38.36 2kb2 s MET 95 CO 0.74 -0.09 0.45 0.50 -0.65 0.00 0.00 175.02 175.97 2kb2 s ARG 96 N 0.36 0.43 0.90 4.11 3.00 -1.23 -4.50 118.95 122.03 2kb2 s ARG 96 Ca 0.01 0.41 -0.11 0.00 -1.00 0.00 0.00 55.73 55.04 2kb2 s ARG 96 Cb -0.05 -0.18 0.14 0.00 0.00 0.00 0.00 34.95 34.86 2kb2 s ARG 96 CO -0.02 -0.87 1.12 -1.50 0.00 0.00 0.00 175.30 174.02 2kb2 s ILE 97 N 2.62 2.42 -0.35 4.11 -1.16 -1.26 -1.46 121.20 126.13 2kb2 s ILE 97 Ca 0.12 0.14 -0.00 0.00 -0.51 0.00 0.00 60.65 60.39 2kb2 s ILE 97 Cb -0.13 -2.32 0.13 0.00 0.61 0.00 0.00 42.46 40.75 2kb2 s ILE 97 CO -0.24 -0.18 0.19 -0.22 -2.81 0.00 0.00 174.94 171.68 2kb2 s LEU 98 N -6.47 1.38 -0.91 8.50 2.96 0.16 -4.74 118.68 119.56 2kb2 s LEU 98 Ca 0.65 -2.06 -0.25 0.00 -0.22 0.00 0.00 54.13 52.25 2kb2 s LEU 98 Cb -0.21 -0.57 -0.12 0.00 0.50 0.00 0.00 46.19 45.79 2kb2 s LEU 98 CO 0.58 -0.34 2.17 -0.62 -1.32 0.00 0.00 176.35 176.82 2kb2 s ASP 99 N 1.17 4.33 0.64 3.68 2.15 -1.26 -1.81 116.67 125.57 2kb2 s ASP 99 Ca 0.15 -0.52 0.36 0.00 0.43 0.00 0.00 52.55 52.97 2kb2 s ASP 99 Cb -0.21 -2.56 1.99 0.00 -0.30 0.00 0.00 42.92 41.83 2kb2 s ASP 99 CO -0.09 -3.58 2.18 -0.07 -0.17 0.00 0.00 175.17 173.45 2kb2 h LEU 100 N 20.56 0.00 -1.41 -1.34 3.38 -0.07 0.18 115.31 136.61 2kb2 h LEU 100 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kb2 h LEU 100 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kb2 h LEU 100 CO 1.09 0.00 0.07 0.03 0.09 0.00 0.00 178.44 179.73 2kb2 h ARG 101 N 0.00 0.00 0.03 1.13 3.08 -1.84 -1.71 114.38 115.07 2kb2 h ARG 101 Ca 0.02 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.71 2kb2 h ARG 101 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 2kb2 h ARG 101 CO -0.00 0.00 -2.07 1.28 -1.07 0.00 0.00 179.97 178.11 2kb2 n LEU 102 N -2.27 2.32 0.00 3.04 4.77 0.64 -5.02 117.00 120.48 2kb2 n LEU 102 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2kb2 n LEU 102 Cb 0.10 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2kb2 n LEU 102 CO 0.09 0.64 0.00 0.49 -1.33 0.00 0.00 177.39 177.29 2kb2 n PHE 103 N -3.90 0.00 -2.83 -1.77 3.72 -0.64 -5.07 117.46 106.96 2kb2 n PHE 103 Ca -0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2kb2 n PHE 103 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 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 0.49 -1.08 0.28 -1.26 -4.85 120.64 114.23 2kb2 n GLU 104 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 2kb2 n GLU 104 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kb2 h THR 105 N 0.00 0.07 0.00 3.84 2.02 -1.95 0.10 112.91 116.99 2kb2 h THR 105 Ca 0.00 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 2kb2 h THR 105 Cb 0.00 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 2kb2 h THR 105 CO 0.00 0.00 -0.68 -0.78 0.37 0.00 0.00 175.52 174.43 2kb2 h ASP 106 N -1.27 0.00 -0.22 4.18 3.58 -1.98 -2.79 116.42 117.92 2kb2 h ASP 106 Ca -0.13 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2kb2 h ASP 106 Cb 0.96 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2kb2 h ASP 106 CO 0.21 0.63 -0.07 1.23 -2.88 0.00 0.00 179.24 178.36 2kb2 h GLY 107 N 3.39 0.48 1.04 -0.78 0.00 -1.93 -0.99 103.07 104.28 2kb2 h GLY 107 Ca -0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 2kb2 h GLY 107 CO 0.08 0.37 -0.25 0.00 0.00 0.00 0.00 176.54 176.73 2kb2 h ALA 108 N 0.74 0.55 -0.89 3.60 0.00 -0.87 -2.42 119.26 119.97 2kb2 h ALA 108 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kb2 h ALA 108 Cb 0.53 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2kb2 h ALA 108 CO 0.02 0.55 0.52 -0.07 0.00 0.00 0.00 179.25 180.28 2kb2 h LEU 109 N 0.65 1.08 -1.22 0.00 3.38 -1.48 -1.18 115.31 116.54 2kb2 h LEU 109 Ca 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2kb2 h LEU 109 Cb 0.83 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2kb2 h LEU 109 CO 0.07 0.83 0.12 1.05 0.09 0.00 0.00 178.44 180.60 2kb2 h GLU 110 N 1.23 0.65 0.21 1.13 4.11 -1.02 -2.76 114.58 118.14 2kb2 h GLU 110 Ca 0.32 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 59.65 2kb2 h GLU 110 Cb -0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2kb2 h GLU 110 CO -0.06 0.59 -0.40 0.93 0.07 0.00 0.00 179.01 180.15 2kb2 h GLU 111 N 0.64 -0.67 -0.38 1.06 4.39 -0.71 0.71 114.58 119.62 2kb2 h GLU 111 Ca 0.15 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.95 2kb2 h GLU 111 Cb 0.23 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 28.95 2kb2 h GLU 111 CO -0.00 -0.44 -0.52 0.82 -1.16 0.00 0.00 179.01 177.70 2kb2 h ILE 112 N -0.69 0.03 -1.00 3.13 5.03 -1.22 0.90 117.51 123.69 2kb2 h ILE 112 Ca 0.00 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.95 2kb2 h ILE 112 Cb 0.68 0.03 -0.11 0.00 -3.03 0.00 0.00 36.82 34.39 2kb2 h ILE 112 CO -0.17 0.00 0.61 -0.07 -0.68 0.00 0.00 178.15 177.84 2kb2 h LEU 113 N -0.40 0.75 -1.43 1.44 4.07 -1.24 0.96 115.31 119.47 2kb2 h LEU 113 Ca 0.09 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.18 2kb2 h LEU 113 Cb 0.60 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 2kb2 h LEU 113 CO -0.58 0.23 0.40 0.03 -1.08 0.00 0.00 178.44 177.44 2kb2 h ARG 114 N 0.71 0.75 0.00 1.13 2.47 0.16 -2.98 114.38 116.61 2kb2 h ARG 114 Ca 0.60 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 2kb2 h ARG 114 Cb 0.99 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2kb2 h ARG 114 CO -0.41 0.49 -0.06 1.97 0.56 0.00 0.00 179.97 182.53 2kb2 n PHE 115 N -4.46 0.00 -4.39 3.04 1.16 0.04 -4.99 117.46 107.87 2kb2 n PHE 115 Ca 0.07 -0.85 -0.25 0.00 -1.87 0.00 0.00 57.45 54.55 2kb2 n PHE 115 Cb 0.09 -0.13 -0.17 0.00 -1.61 0.00 0.00 39.48 37.66 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 s SER 116 N -2.53 1.86 -1.14 5.98 0.15 0.31 -4.88 113.70 113.45 2kb2 s SER 116 Ca 0.26 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.55 2kb2 s SER 116 Cb 0.23 -0.82 0.26 0.00 -1.71 0.00 0.00 66.02 63.98 2kb2 s SER 116 CO 0.02 -0.01 1.52 0.35 1.20 0.00 0.00 173.24 176.32 2kb2 n THR 117 N 4.11 4.92 -0.88 6.45 -2.24 -1.11 -4.56 114.28 120.99 2kb2 n THR 117 Ca -0.20 -5.42 -0.10 0.00 -2.27 0.00 0.00 64.05 56.06 2kb2 n THR 117 Cb 0.51 -2.25 -0.14 0.00 -2.10 0.00 0.00 70.33 66.35 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 2.41 0.00 0.61 4.78 -1.74 -1.26 -4.59 117.46 117.67 2kb2 n PHE 118 Ca 0.30 -1.34 0.00 0.00 -0.56 0.00 0.00 57.45 55.85 2kb2 n PHE 118 Cb 0.35 -1.40 0.00 0.00 1.52 0.00 0.00 39.48 39.96 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 2.43 0.69 1.83 4.97 0.00 -1.26 -4.76 105.19 109.08 2kb2 n GLY 119 Ca 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 0.15 0.00 0.46 1.61 0.24 -1.26 -4.95 118.33 114.58 2kb2 n VAL 120 Ca 0.00 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.34 62.08 2kb2 n VAL 120 Cb 0.12 -0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.84 0.00 -1.93 3.34 2.02 -2.03 -3.44 112.91 108.04 2kb2 h THR 121 Ca -0.23 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.75 2kb2 h THR 121 Cb 0.75 0.00 -0.30 0.00 -1.74 0.00 0.00 68.15 66.86 2kb2 h THR 121 CO 0.14 0.00 -0.49 -1.61 0.37 0.00 0.00 175.52 173.93 2kb2 s GLU 122 N -5.51 0.34 0.00 6.66 2.02 -1.26 -5.00 118.70 115.95 2kb2 s GLU 122 Ca -0.17 0.51 0.09 0.00 0.02 0.00 0.00 54.97 55.41 2kb2 s GLU 122 Cb 0.02 -0.52 0.38 0.00 0.10 0.00 0.00 34.13 34.10 2kb2 s GLU 122 CO 0.52 -0.65 1.27 -0.35 0.02 0.00 0.00 175.26 176.07 2kb2 n PRO 123 N 5.36 0.01 0.00 0.39 -0.04 -1.26 -3.49 135.00 135.97 2kb2 n PRO 123 Ca -0.04 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2kb2 n PRO 123 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.49 0.00 1.02 0.52 0.31 -1.26 -2.90 118.33 114.53 2kb2 n VAL 124 Ca 0.02 1.29 0.06 0.00 -0.01 0.00 0.00 64.34 65.71 2kb2 n VAL 124 Cb 0.10 -2.28 0.38 0.00 -0.91 0.00 0.00 33.84 31.13 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 -1.39 0.00 -4.59 4.52 2.04 -1.24 -4.71 115.26 109.89 2kb2 n ASN 125 Ca 0.00 -0.62 -0.42 0.00 -0.44 0.00 0.00 54.58 53.10 2kb2 n ASN 125 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2kb2 n ASP 126 N -0.89 3.11 -0.20 0.53 -0.08 -1.14 -4.82 116.55 113.05 2kb2 n ASP 126 Ca 0.10 0.12 0.13 0.00 -1.51 0.00 0.00 54.79 53.63 2kb2 n ASP 126 Cb 0.04 -1.55 0.44 0.00 2.34 0.00 0.00 41.12 42.39 2kb2 n ASP 126 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2kb2 h ARG 127 N 15.57 0.54 -0.25 -0.67 2.43 -1.89 0.89 114.38 130.99 2kb2 h ARG 127 Ca -0.39 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.67 2kb2 h ARG 127 Cb 1.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2kb2 h ARG 127 CO 0.98 0.35 -0.19 1.98 -1.51 0.00 0.00 179.97 181.59 2kb2 h MET 128 N 0.55 0.45 0.00 0.20 1.85 -1.95 -2.59 114.93 113.44 2kb2 h MET 128 Ca 0.39 -0.14 -0.12 0.00 -0.61 0.00 0.00 59.70 59.22 2kb2 h MET 128 Cb 0.74 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.71 2kb2 h MET 128 CO -0.15 0.62 -0.55 0.35 -0.40 0.00 0.00 176.91 176.78 2kb2 h PHE 129 N 0.41 0.00 -0.35 1.39 3.57 -1.19 -2.77 116.94 118.00 2kb2 h PHE 129 Ca 0.07 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2kb2 h PHE 129 Cb 0.57 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2kb2 h PHE 129 CO 0.02 0.55 0.07 0.00 -2.23 0.00 0.00 178.31 176.73 2kb2 h ARG 130 N 0.00 0.19 -0.06 1.11 2.47 -0.68 0.13 114.38 117.54 2kb2 h ARG 130 Ca -0.01 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 2kb2 h ARG 130 Cb 1.42 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2kb2 h ARG 130 CO 0.07 0.13 -0.08 -0.07 0.56 0.00 0.00 179.97 180.57 2kb2 h LEU 131 N 0.20 0.18 -0.70 3.04 3.38 -1.60 -1.22 115.31 118.58 2kb2 h LEU 131 Ca 0.17 -0.52 0.15 0.00 0.09 0.00 0.00 57.88 57.77 2kb2 h LEU 131 Cb 0.18 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.76 2kb2 h LEU 131 CO -0.21 0.67 -0.00 0.25 0.09 0.00 0.00 178.44 179.23 2kb2 h LEU 132 N -0.29 -0.34 0.00 1.67 5.85 -1.17 0.30 115.31 121.33 2kb2 h LEU 132 Ca 0.01 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2kb2 h LEU 132 Cb 0.62 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2kb2 h LEU 132 CO 0.02 -0.16 -0.27 0.77 -0.34 0.00 0.00 178.44 178.46 2kb2 h SER 133 N 0.10 0.00 0.88 1.25 4.64 -0.78 -2.16 113.55 117.48 2kb2 h SER 133 Ca 0.38 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.59 2kb2 h SER 133 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2kb2 h SER 133 CO -0.62 0.25 -0.49 0.00 -0.87 0.00 0.00 176.83 175.09 2kb2 h ALA 134 N 1.75 0.90 0.20 5.18 0.00 0.57 0.17 119.26 128.04 2kb2 h ALA 134 Ca -0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 2kb2 h ALA 134 Cb 1.19 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2kb2 h ALA 134 CO 0.03 0.62 -1.63 0.35 0.00 0.00 0.00 179.25 178.62 2kb2 h PHE 135 N 0.00 0.77 -0.21 0.00 3.57 -0.53 0.13 116.94 120.67 2kb2 h PHE 135 Ca -0.00 -0.56 -0.05 0.00 3.53 0.00 0.00 57.97 60.89 2kb2 h PHE 135 Cb 1.07 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2kb2 h PHE 135 CO 0.00 1.63 -0.08 0.82 -2.23 0.00 0.00 178.31 178.46 2kb2 h ILE 136 N 0.07 1.17 0.00 1.41 5.03 -1.31 0.21 117.51 124.09 2kb2 h ILE 136 Ca -0.31 -0.74 -0.02 0.00 -0.12 0.00 0.00 64.86 63.66 2kb2 h ILE 136 Cb 2.08 1.11 -0.00 0.00 -3.03 0.00 0.00 36.82 36.97 2kb2 h ILE 136 CO 0.19 0.24 -0.43 0.00 -0.68 0.00 0.00 178.15 177.47 2kb2 h ALA 137 N 1.62 0.03 0.01 1.87 0.00 -0.73 -3.35 119.26 118.71 2kb2 h ALA 137 Ca 0.07 -0.45 -0.38 0.00 0.00 0.00 0.00 54.91 54.15 2kb2 h ALA 137 Cb 0.34 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2kb2 h ALA 137 CO 0.02 0.37 -2.37 -3.47 0.00 0.00 0.00 179.25 173.80 2kb2 n ASP 138 N -4.64 1.12 0.00 0.00 2.03 0.40 -4.99 116.55 110.47 2kb2 n ASP 138 Ca -0.08 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2kb2 n ASP 138 Cb 0.25 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kb2 n GLY 139 N 2.00 2.66 0.00 0.27 0.00 0.74 -3.85 105.19 107.00 2kb2 n GLY 139 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 2.34 3.32 -0.02 0.00 -1.26 -4.86 105.19 104.48 2kb2 n GLY 140 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2kb2 n GLY 140 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb2 s ARG 141 N -0.22 3.41 1.21 1.61 6.06 -1.25 -5.05 118.95 124.71 2kb2 s ARG 141 Ca 0.00 -2.24 -0.18 0.00 -2.50 0.00 0.00 55.73 50.81 2kb2 s ARG 141 Cb 0.00 -4.38 0.24 0.00 0.06 0.00 0.00 34.95 30.87 2kb2 s ARG 141 CO 0.00 -1.30 0.53 2.48 -2.50 0.00 0.00 175.30 174.51 2kb2 n TYR 142 N 4.34 -2.31 -0.99 5.12 4.11 -1.26 -4.98 117.16 121.18 2kb2 n TYR 142 Ca 0.06 -0.23 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 2kb2 n TYR 142 Cb 0.45 -1.48 0.00 0.00 -0.00 0.00 0.00 39.34 38.31 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kb2 h LEU 144 N 0.00 -0.04-10.20 0.00 4.07 -2.05 -3.45 115.31 103.64 2kb2 h LEU 144 Ca 0.00 -0.26 -0.53 0.00 0.08 0.00 0.00 57.88 57.17 2kb2 h LEU 144 Cb 0.41 0.01 0.17 0.00 1.08 0.00 0.00 40.66 42.33 2kb2 h LEU 144 CO 0.00 0.23 0.36 -2.84 -1.08 0.00 0.00 178.44 175.12 2kb2 s PRO 145 N -5.09 1.85 -0.28 1.13 0.02 -1.26 -5.03 135.00 126.33 2kb2 s PRO 145 Ca -0.15 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 62.60 2kb2 s PRO 145 Cb 0.03 -1.80 0.09 0.00 0.02 0.00 0.00 34.50 32.85 2kb2 s PRO 145 CO 0.66 -2.05 0.10 -2.00 -0.33 0.00 0.00 177.00 173.37 2kb2 s GLU 146 N -4.06 0.55 0.07 5.54 2.56 -1.26 -5.12 118.70 116.97 2kb2 s GLU 146 Ca 0.73 -0.80 -0.36 0.00 0.00 0.00 0.00 54.97 54.54 2kb2 s GLU 146 Cb -0.29 -1.77 -0.16 0.00 2.00 0.00 0.00 34.13 33.91 2kb2 s GLU 146 CO 0.49 -0.94 1.44 -2.30 -0.56 0.00 0.00 175.26 173.39 2kb2 n PRO 147 N 5.00 1.38 0.00 4.30 -0.02 -1.26 -5.30 135.00 139.10 2kb2 n PRO 147 Ca -0.04 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 2kb2 n PRO 147 Cb 0.43 -2.18 0.55 0.00 -0.02 0.00 0.00 33.50 32.28 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37