#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn h GLU 2 N 0.00 0.46 -7.06 2.12 4.39 -2.09 -3.47 114.58 108.94 2kbn h GLU 2 Ca 0.00 -0.79 -0.55 0.00 0.34 0.00 0.00 59.36 58.36 2kbn h GLU 2 Cb 0.00 0.29 0.13 0.00 -0.10 0.00 0.00 28.75 29.08 2kbn h GLU 2 CO 0.00 1.37 0.58 -2.14 -1.16 0.00 0.00 179.01 177.66 2kbn s PRO 3 N -2.61 3.09 -1.26 2.33 0.02 -1.26 -4.91 135.00 130.41 2kbn s PRO 3 Ca -0.09 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 62.97 2kbn s PRO 3 Cb 0.05 -2.20 0.15 0.00 0.02 0.00 0.00 34.50 32.52 2kbn s PRO 3 CO 0.92 -1.20 1.68 1.04 -0.33 0.00 0.00 177.00 179.10 2kbn n GLN 4 N -1.13 3.42 -2.24 5.54 3.00 -1.26 -4.99 117.38 119.72 2kbn n GLN 4 Ca 0.11 -3.61 -0.38 0.00 -0.01 0.00 0.00 57.00 53.11 2kbn n GLN 4 Cb 0.46 -3.05 -0.02 0.00 0.00 0.00 0.00 30.24 27.63 2kbn n GLN 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kbn s LEU 5 N 1.19 4.19 -0.09 1.08 1.43 -1.26 -1.85 118.68 123.38 2kbn s LEU 5 Ca 0.43 2.41 0.03 0.00 -1.03 0.00 0.00 54.13 55.96 2kbn s LEU 5 Cb 0.03 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.26 2kbn s LEU 5 CO 0.00 -0.72 -0.17 -0.89 0.23 0.00 0.00 176.35 174.81 2kbn s THR 6 N -1.38 1.51 0.42 5.49 2.01 0.93 -4.88 115.64 119.74 2kbn s THR 6 Ca 0.57 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 2kbn s THR 6 Cb -0.32 -1.35 -0.11 0.00 0.01 0.00 0.00 72.50 70.73 2kbn s THR 6 CO 0.41 0.44 0.94 -0.54 -0.69 0.00 0.00 174.62 175.18 2kbn s LYS 7 N 0.65 4.24 0.16 4.92 3.01 -1.26 -4.62 119.74 126.83 2kbn s LYS 7 Ca -0.14 1.12 -0.14 0.00 -1.01 0.00 0.00 55.97 55.80 2kbn s LYS 7 Cb -0.16 -2.23 0.04 0.00 -1.01 0.00 0.00 37.83 34.47 2kbn s LYS 7 CO 0.04 -0.00 1.71 0.82 0.51 0.00 0.00 175.35 178.43 2kbn h ILE 8 N 1.95 1.21 0.00 2.17 5.03 -1.94 -2.17 117.51 123.77 2kbn h ILE 8 Ca -0.49 -0.65 0.00 0.00 -0.12 0.00 0.00 64.86 63.60 2kbn h ILE 8 Cb 1.18 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 35.66 2kbn h ILE 8 CO 0.61 0.25 0.00 1.62 -0.68 0.00 0.00 178.15 179.95 2kbn h VAL 9 N 0.68 0.00 -0.00 1.67 3.04 -1.94 -2.06 116.25 117.64 2kbn h VAL 9 Ca 0.17 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2kbn h VAL 9 Cb 0.19 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2kbn h VAL 9 CO -0.01 0.00 -0.04 -0.67 -1.01 0.00 0.00 177.57 175.84 2kbn n ASP 10 N -3.08 0.24 -4.67 3.17 2.03 -0.82 -4.78 116.55 108.65 2kbn n ASP 10 Ca 0.00 -0.60 -0.43 0.00 0.52 0.00 0.00 54.79 54.29 2kbn n ASP 10 Cb 0.29 -0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kbn s ILE 11 N -2.35 4.67 0.00 5.18 1.01 -0.78 -4.81 121.20 124.13 2kbn s ILE 11 Ca 0.35 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.99 2kbn s ILE 11 Cb 0.21 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2kbn s ILE 11 CO 0.43 -0.14 0.06 1.33 0.00 0.00 0.00 174.94 176.62 2kbn n VAL 12 N 5.18 0.00 -4.01 2.92 0.24 -1.26 -5.07 118.33 116.33 2kbn n VAL 12 Ca 0.12 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.34 62.18 2kbn n VAL 12 Cb 0.46 1.45 -0.14 0.00 -1.47 0.00 0.00 33.84 34.15 2kbn n VAL 12 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kbn s GLU 13 N -0.09 0.22 0.40 7.34 2.12 -1.26 -5.16 118.70 122.28 2kbn s GLU 13 Ca 0.00 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.19 2kbn s GLU 13 Cb 0.00 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 2kbn s GLU 13 CO 0.00 0.05 0.61 0.54 -0.54 0.00 0.00 175.26 175.92 2kbn s ASN 14 N -0.18 6.07 0.00 -1.70 2.20 -1.26 -4.20 114.94 115.86 2kbn s ASN 14 Ca -0.00 0.38 0.00 0.00 -0.94 0.00 0.00 52.86 52.30 2kbn s ASN 14 Cb -0.02 -1.79 0.00 0.00 -2.00 0.00 0.00 41.25 37.45 2kbn s ASN 14 CO -0.00 -0.50 0.00 0.61 -2.94 0.00 0.00 177.10 174.27 2kbn n GLY 15 N -1.94 0.70 3.74 0.45 0.00 0.11 -4.98 105.19 103.26 2kbn n GLY 15 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2kbn n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kbn s GLN 16 N -0.00 4.68 -0.15 1.61 0.74 -1.26 -4.75 119.66 120.52 2kbn s GLN 16 Ca 0.00 1.38 -0.08 0.00 0.05 0.00 0.00 55.36 56.71 2kbn s GLN 16 Cb 0.00 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 2kbn s GLN 16 CO 0.00 0.28 0.14 -1.58 -0.55 0.00 0.00 175.29 173.57 2kbn s TRP 17 N -0.20 3.54 -0.02 1.67 0.52 -1.26 -2.47 118.94 120.73 2kbn s TRP 17 Ca 0.44 0.47 -0.09 0.00 0.02 0.00 0.00 56.10 56.94 2kbn s TRP 17 Cb -0.23 -2.02 0.03 0.00 -1.15 0.00 0.00 33.47 30.10 2kbn s TRP 17 CO 0.29 0.58 0.39 0.00 0.02 0.00 0.00 176.95 178.24 2kbn n ALA 18 N 2.51 -1.12 -2.67 0.98 0.00 -1.06 -4.99 120.51 114.16 2kbn n ALA 18 Ca -0.19 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 2kbn n ALA 18 Cb 0.54 0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 2kbn n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kbn s ASN 19 N -1.87 4.94 -0.02 0.00 0.02 -0.77 -2.70 114.94 114.54 2kbn s ASN 19 Ca 0.09 -0.18 0.01 0.00 -1.02 0.00 0.00 52.86 51.76 2kbn s ASN 19 Cb -0.00 -1.17 0.02 0.00 0.02 0.00 0.00 41.25 40.12 2kbn s ASN 19 CO -0.00 0.19 -0.02 -0.22 0.02 0.00 0.00 177.10 177.07 2kbn s LEU 20 N -2.16 1.49 -0.09 0.60 0.20 -0.73 -0.05 118.68 117.94 2kbn s LEU 20 Ca 0.24 -0.06 0.02 0.00 0.69 0.00 0.00 54.13 55.02 2kbn s LEU 20 Cb -0.12 -0.25 -0.02 0.00 -0.43 0.00 0.00 46.19 45.37 2kbn s LEU 20 CO 0.16 -0.04 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.29 2kbn s LYS 21 N 0.61 2.94 0.19 1.98 2.20 -1.26 -0.81 119.74 125.59 2kbn s LYS 21 Ca -0.06 -0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 54.60 2kbn s LYS 21 Cb -0.10 -2.48 0.05 0.00 -1.51 0.00 0.00 37.83 33.79 2kbn s LYS 21 CO -0.01 0.40 0.91 0.00 -0.36 0.00 0.00 175.35 176.29 2kbn s ALA 22 N -0.16 -1.51 -0.05 3.13 0.00 -1.12 -4.83 121.76 117.22 2kbn s ALA 22 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2kbn s ALA 22 Cb -0.13 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2kbn s ALA 22 CO 0.03 -1.04 0.02 0.21 0.00 0.00 0.00 175.76 174.98 2kbn s LYS 23 N -3.29 2.97 -0.18 0.00 2.20 -0.58 -2.28 119.74 118.58 2kbn s LYS 23 Ca 0.13 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.99 2kbn s LYS 23 Cb -0.03 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 2kbn s LYS 23 CO 0.04 0.68 1.04 0.08 -0.36 0.00 0.00 175.35 176.82 2kbn s VAL 24 N -1.00 4.70 -0.19 4.02 1.01 -1.08 -1.85 120.40 126.00 2kbn s VAL 24 Ca 0.17 2.02 -0.16 0.00 0.00 0.00 0.00 61.98 64.00 2kbn s VAL 24 Cb -0.12 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 2kbn s VAL 24 CO 0.07 -0.11 -0.34 -0.38 0.00 0.00 0.00 175.10 174.33 2kbn n ILE 25 N 5.04 1.49 -3.77 2.22 5.41 -1.25 -1.74 119.36 126.76 2kbn n ILE 25 Ca 0.11 0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.75 2kbn n ILE 25 Cb 0.47 -2.21 -0.11 0.00 -0.71 0.00 0.00 39.64 37.08 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2kbn s GLN 26 N -2.78 0.32 -0.04 0.38 2.00 -1.26 -4.72 119.66 113.56 2kbn s GLN 26 Ca -0.30 0.40 -0.03 0.00 -2.00 0.00 0.00 55.36 53.42 2kbn s GLN 26 Cb 0.06 0.15 0.02 0.00 0.80 0.00 0.00 33.01 34.04 2kbn s GLN 26 CO 0.43 -0.05 0.11 -0.48 -0.50 0.00 0.00 175.29 174.80 2kbn s LEU 27 N 0.21 1.45 -0.02 3.68 2.34 -1.26 -2.72 118.68 122.36 2kbn s LEU 27 Ca -0.01 0.22 0.04 0.00 0.06 0.00 0.00 54.13 54.45 2kbn s LEU 27 Cb -0.02 0.35 -0.03 0.00 -0.56 0.00 0.00 46.19 45.93 2kbn s LEU 27 CO -0.00 -0.06 -0.12 0.26 -1.06 0.00 0.00 176.35 175.38 2kbn s TRP 28 N 0.25 2.76 0.24 3.48 0.51 -0.96 -4.99 118.94 120.24 2kbn s TRP 28 Ca -0.02 -0.12 -0.29 0.00 -2.12 0.00 0.00 56.10 53.56 2kbn s TRP 28 Cb -0.03 -1.60 -0.09 0.00 -0.81 0.00 0.00 33.47 30.94 2kbn s TRP 28 CO -0.01 0.28 0.92 -1.83 -0.51 0.00 0.00 176.95 175.81 2kbn s GLU 29 N -1.11 4.80 0.15 4.98 4.04 -1.26 -2.47 118.70 127.83 2kbn s GLU 29 Ca 0.14 1.44 0.03 0.00 0.04 0.00 0.00 54.97 56.62 2kbn s GLU 29 Cb -0.11 -3.22 -0.04 0.00 0.02 0.00 0.00 34.13 30.78 2kbn s GLU 29 CO 0.04 0.50 0.23 1.21 -1.84 0.00 0.00 175.26 175.40 2kbn s ASN 30 N -1.23 6.06 0.00 0.83 2.47 -0.94 -4.92 114.94 117.20 2kbn s ASN 30 Ca 0.42 0.07 0.23 0.00 0.42 0.00 0.00 52.86 54.00 2kbn s ASN 30 Cb -0.25 -1.75 0.16 0.00 -1.45 0.00 0.00 41.25 37.97 2kbn s ASN 30 CO 0.30 0.06 1.19 0.41 -3.72 0.00 0.00 177.10 175.34 2kbn n THR 31 N -0.48 0.00 -2.77 -5.21 -1.04 -1.26 -4.88 114.28 98.64 2kbn n THR 31 Ca -0.07 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 2kbn n THR 31 Cb 0.54 0.94 -0.05 0.00 -1.82 0.00 0.00 70.33 69.94 2kbn n THR 31 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2kbn s HIS 32 N -2.62 3.82 0.22 -1.42 3.76 -1.26 -4.94 115.29 112.84 2kbn s HIS 32 Ca 0.17 1.76 -0.03 0.00 -0.15 0.00 0.00 55.06 56.81 2kbn s HIS 32 Cb 0.18 -3.01 0.21 0.00 1.11 0.00 0.00 32.58 31.07 2kbn s HIS 32 CO 0.63 0.24 1.63 1.49 -0.85 0.00 0.00 174.74 177.88 2kbn h GLU 33 N 5.47 0.71 -0.75 1.40 4.22 -1.97 -3.04 114.58 120.63 2kbn h GLU 33 Ca -0.43 -0.30 -0.01 0.00 0.08 0.00 0.00 59.36 58.70 2kbn h GLU 33 Cb 1.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2kbn h GLU 33 CO 0.71 0.89 0.41 1.03 -2.18 0.00 0.00 179.01 179.88 2kbn h SER 34 N 0.62 0.93 -3.31 1.04 0.87 -1.99 -3.41 113.55 108.30 2kbn h SER 34 Ca 0.08 -0.10 -0.64 0.00 -1.23 0.00 0.00 61.79 59.91 2kbn h SER 34 Cb 0.75 -0.24 -0.22 0.00 -0.44 0.00 0.00 62.40 62.26 2kbn h SER 34 CO 0.06 0.76 -0.67 -0.63 -0.53 0.00 0.00 176.83 175.82 2kbn s ILE 35 N -5.85 3.86 0.00 2.23 1.01 -1.15 -4.06 121.20 117.24 2kbn s ILE 35 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2kbn s ILE 35 Cb 0.15 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2kbn s ILE 35 CO 0.80 0.50 0.19 -0.24 0.00 0.00 0.00 174.94 176.19 2kbn n SER 36 N 3.50 0.00 -3.97 3.58 2.88 -0.67 -4.30 113.62 114.64 2kbn n SER 36 Ca -0.17 0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 2kbn n SER 36 Cb 0.52 -0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 2kbn n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbn s GLN 37 N -0.82 0.64 -0.03 -1.46 -2.07 -1.26 -2.21 119.66 112.46 2kbn s GLN 37 Ca 0.00 -0.96 0.02 0.00 -1.82 0.00 0.00 55.36 52.60 2kbn s GLN 37 Cb 0.00 0.24 0.01 0.00 -1.09 0.00 0.00 33.01 32.17 2kbn s GLN 37 CO 0.00 -0.16 -0.08 0.14 -1.32 0.00 0.00 175.29 173.87 2kbn s VAL 38 N -3.31 0.73 0.00 3.63 -7.23 -1.03 -2.69 120.40 110.50 2kbn s VAL 38 Ca 0.01 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2kbn s VAL 38 Cb 0.03 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.31 2kbn s VAL 38 CO -0.08 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2kbn n GLY 39 N 3.40 2.55 3.10 2.32 0.00 -1.08 -2.26 105.19 113.22 2kbn n GLY 39 Ca -0.19 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 2kbn n GLY 39 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kbn s LEU 40 N 0.00 2.24 -0.04 0.99 2.34 -1.10 -0.69 118.68 122.41 2kbn s LEU 40 Ca 0.00 -0.53 0.07 0.00 0.06 0.00 0.00 54.13 53.72 2kbn s LEU 40 Cb 0.00 -0.33 -0.01 0.00 -0.56 0.00 0.00 46.19 45.29 2kbn s LEU 40 CO 0.00 -0.12 -0.25 -0.76 -1.06 0.00 0.00 176.35 174.15 2kbn s LEU 41 N -1.50 2.06 -0.14 1.48 1.43 -0.62 -3.78 118.68 117.62 2kbn s LEU 41 Ca -0.06 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2kbn s LEU 41 Cb -0.09 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2kbn s LEU 41 CO 0.01 0.27 0.13 -0.83 0.23 0.00 0.00 176.35 176.16 2kbn s GLY 42 N -0.31 2.11 -0.19 -3.19 0.00 -0.77 -2.65 107.32 102.32 2kbn s GLY 42 Ca 0.01 -0.66 0.21 0.00 0.00 0.00 0.00 44.72 44.28 2kbn s GLY 42 CO 0.02 -0.26 1.14 1.34 0.00 0.00 0.00 173.10 175.34 2kbn n ASP 43 N 2.38 1.82 0.00 1.64 2.03 -1.10 -1.53 116.55 121.78 2kbn n ASP 43 Ca -0.19 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.80 2kbn n ASP 43 Cb 0.54 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2kbn n ASP 43 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kbn n GLU 44 N -0.35 0.00 0.00 -0.67 1.02 -1.26 -4.47 120.64 114.91 2kbn n GLU 44 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2kbn n GLU 44 Cb 0.91 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2kbn n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2kbn n THR 45 N 0.00 0.28 0.00 2.62 -2.24 -1.26 -4.95 114.28 108.73 2kbn n THR 45 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kbn n THR 45 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2kbn n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kbn n GLY 46 N 0.16 -0.23 3.16 3.38 0.00 -1.26 -4.03 105.19 106.37 2kbn n GLY 46 Ca 0.00 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.58 2kbn n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kbn s ILE 47 N 0.00 1.19 0.01 -0.61 -4.36 -1.26 -2.72 121.20 113.45 2kbn s ILE 47 Ca 0.00 -1.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 2kbn s ILE 47 Cb 0.00 -1.07 -0.01 0.00 1.25 0.00 0.00 42.46 42.63 2kbn s ILE 47 CO 0.00 0.06 -0.04 -0.51 0.24 0.00 0.00 174.94 174.69 2kbn s ILE 48 N -0.80 0.25 0.47 8.37 2.07 -1.08 -4.97 121.20 125.50 2kbn s ILE 48 Ca 0.03 -0.40 -0.13 0.00 -1.41 0.00 0.00 60.65 58.74 2kbn s ILE 48 Cb -0.08 -0.26 -0.07 0.00 0.13 0.00 0.00 42.46 42.18 2kbn s ILE 48 CO 0.01 -0.10 0.88 -0.54 -1.91 0.00 0.00 174.94 173.28 2kbn s LYS 49 N -0.53 3.83 0.03 3.50 1.02 -1.26 -1.59 119.74 124.74 2kbn s LYS 49 Ca -0.03 0.68 -0.07 0.00 0.02 0.00 0.00 55.97 56.57 2kbn s LYS 49 Cb -0.04 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2kbn s LYS 49 CO -0.00 -0.17 0.13 -0.59 -0.92 0.00 0.00 175.35 173.80 2kbn s PHE 50 N -2.54 0.12 -0.06 3.18 -0.71 0.13 -2.52 117.98 115.58 2kbn s PHE 50 Ca 0.55 -0.34 0.02 0.00 -1.04 0.00 0.00 56.93 56.11 2kbn s PHE 50 Cb -0.10 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 2kbn s PHE 50 CO 0.33 -0.36 -0.09 0.99 -1.34 0.00 0.00 175.22 174.76 2kbn s THR 51 N -2.23 0.87 -0.22 -4.49 2.01 -0.99 -2.63 115.64 107.95 2kbn s THR 51 Ca -0.08 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 2kbn s THR 51 Cb -0.03 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 2kbn s THR 51 CO -0.03 0.30 0.13 -0.63 -0.69 0.00 0.00 174.62 173.70 2kbn s ILE 52 N 0.76 5.14 -0.04 1.82 1.01 -1.09 -1.75 121.20 127.04 2kbn s ILE 52 Ca -0.13 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2kbn s ILE 52 Cb -0.15 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 2kbn s ILE 52 CO 0.02 0.38 0.08 0.26 0.00 0.00 0.00 174.94 175.68 2kbn s TRP 53 N 0.87 3.31 -0.28 3.97 0.52 -0.99 -1.67 118.94 124.67 2kbn s TRP 53 Ca 0.06 0.25 -0.03 0.00 0.02 0.00 0.00 56.10 56.41 2kbn s TRP 53 Cb -0.13 -1.78 0.07 0.00 -1.15 0.00 0.00 33.47 30.48 2kbn s TRP 53 CO 0.03 0.56 2.52 1.63 0.02 0.00 0.00 176.95 181.71 2kbn n LYS 54 N 1.50 1.95 -0.29 4.98 5.02 -1.26 -4.50 118.16 125.56 2kbn n LYS 54 Ca -0.15 -1.58 -0.05 0.00 -2.02 0.00 0.00 58.31 54.51 2kbn n LYS 54 Cb 0.53 -1.79 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 2kbn n LYS 54 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 2kbn h ASN 55 N 2.17 0.97 0.00 4.39 7.08 -1.91 -3.42 115.58 124.86 2kbn h ASN 55 Ca 0.28 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.41 2kbn h ASN 55 Cb 0.94 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 36.94 2kbn h ASN 55 CO 0.64 0.78 0.00 0.00 -2.08 0.00 0.00 177.43 176.77 2kbn n ALA 56 N -2.36 1.88 -2.65 4.14 0.00 -1.26 -4.94 120.51 115.31 2kbn n ALA 56 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 2kbn n ALA 56 Cb 0.08 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.56 2kbn n ALA 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kbn s GLU 57 N 0.00 0.02 -0.46 0.00 -1.05 -1.26 -5.07 118.70 110.87 2kbn s GLU 57 Ca 0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 54.97 54.79 2kbn s GLU 57 Cb 0.00 -0.00 0.12 0.00 -0.44 0.00 0.00 34.13 33.81 2kbn s GLU 57 CO 0.00 -0.03 0.25 -0.51 0.95 0.00 0.00 175.26 175.93 2kbn s LEU 58 N 1.28 5.14 0.88 1.83 1.43 -1.26 -5.08 118.68 122.90 2kbn s LEU 58 Ca 0.20 -2.32 -0.14 0.00 -1.03 0.00 0.00 54.13 50.84 2kbn s LEU 58 Cb 0.13 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2kbn s LEU 58 CO -0.13 -0.46 0.26 -2.65 0.23 0.00 0.00 176.35 173.59 2kbn n PRO 59 N 4.18 -0.06 -2.04 1.29 -0.02 -1.26 -4.89 135.00 132.20 2kbn n PRO 59 Ca 0.01 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 2kbn n PRO 59 Cb 0.40 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 2kbn n PRO 59 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kbn s LEU 60 N 0.61 4.27 0.34 2.45 1.43 -1.26 -5.00 118.68 121.53 2kbn s LEU 60 Ca 0.57 2.70 -0.14 0.00 -1.03 0.00 0.00 54.13 56.23 2kbn s LEU 60 Cb -0.26 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 2kbn s LEU 60 CO 0.67 -0.78 0.75 -0.76 0.23 0.00 0.00 176.35 176.46 2kbn s LEU 61 N -2.25 4.01 0.50 1.79 1.02 -1.26 -5.05 118.68 117.43 2kbn s LEU 61 Ca 0.55 1.27 -0.20 0.00 0.02 0.00 0.00 54.13 55.77 2kbn s LEU 61 Cb -0.39 -4.09 -0.08 0.00 0.02 0.00 0.00 46.19 41.65 2kbn s LEU 61 CO 0.51 -0.25 1.05 -1.61 0.02 0.00 0.00 176.35 176.06 2kbn s GLU 62 N -3.17 3.71 0.10 1.70 2.02 -1.26 -5.02 118.70 116.79 2kbn s GLU 62 Ca 0.54 1.35 -0.23 0.00 0.02 0.00 0.00 54.97 56.65 2kbn s GLU 62 Cb -0.10 -2.08 -0.07 0.00 0.10 0.00 0.00 34.13 31.98 2kbn s GLU 62 CO 0.20 -0.50 0.70 -1.14 0.02 0.00 0.00 175.26 174.53 2kbn s GLN 63 N -3.36 4.42 0.00 1.61 0.74 -1.26 -3.76 119.66 118.06 2kbn s GLN 63 Ca 0.67 0.98 0.00 0.00 0.05 0.00 0.00 55.36 57.06 2kbn s GLN 63 Cb -0.17 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.67 2kbn s GLN 63 CO 0.23 0.53 0.00 0.41 -0.55 0.00 0.00 175.29 175.91 2kbn n GLY 64 N 1.82 0.53 3.48 2.59 0.00 -0.71 -5.01 105.19 107.89 2kbn n GLY 64 Ca -0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2kbn n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbn s GLU 65 N -0.24 1.98 0.30 1.61 0.41 -1.25 -4.83 118.70 116.68 2kbn s GLU 65 Ca 0.00 -1.05 -0.26 0.00 -0.41 0.00 0.00 54.97 53.25 2kbn s GLU 65 Cb 0.00 -2.18 -0.10 0.00 -1.78 0.00 0.00 34.13 30.07 2kbn s GLU 65 CO 0.00 0.52 0.92 0.45 -0.49 0.00 0.00 175.26 176.66 2kbn s SER 66 N -1.76 7.37 0.01 -0.19 0.15 -1.26 -2.64 113.70 115.38 2kbn s SER 66 Ca 0.16 1.82 -0.01 0.00 0.70 0.00 0.00 55.95 58.62 2kbn s SER 66 Cb -0.11 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 2kbn s SER 66 CO 0.08 -0.01 -0.01 -0.31 1.20 0.00 0.00 173.24 174.19 2kbn s TYR 67 N -1.52 0.17 -0.19 3.44 2.02 -0.97 -2.08 117.35 118.22 2kbn s TYR 67 Ca 0.48 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2kbn s TYR 67 Cb -0.20 -0.13 -0.02 0.00 -0.40 0.00 0.00 41.96 41.22 2kbn s TYR 67 CO 0.25 -0.15 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.86 2kbn s LEU 68 N -1.08 2.99 -0.18 -1.29 2.96 -0.79 -2.80 118.68 118.50 2kbn s LEU 68 Ca -0.12 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 2kbn s LEU 68 Cb -0.07 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2kbn s LEU 68 CO -0.01 0.05 0.17 -0.76 -1.32 0.00 0.00 176.35 174.49 2kbn s LEU 69 N 1.04 4.24 -0.08 -0.68 1.43 0.01 -2.64 118.68 122.00 2kbn s LEU 69 Ca 0.01 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2kbn s LEU 69 Cb -0.15 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.93 2kbn s LEU 69 CO 0.00 0.19 -0.10 -0.13 0.23 0.00 0.00 176.35 176.54 2kbn s ARG 70 N 0.22 1.54 0.00 1.70 0.52 -0.81 -1.77 118.95 120.36 2kbn s ARG 70 Ca 0.11 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2kbn s ARG 70 Cb -0.12 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 33.93 2kbn s ARG 70 CO 0.00 -0.10 0.00 0.43 0.02 0.00 0.00 175.30 175.65 2kbn n SER 71 N 4.29 -1.71 -4.66 0.23 7.64 -1.24 -2.16 113.62 116.01 2kbn n SER 71 Ca -0.19 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.46 2kbn n SER 71 Cb 0.51 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 2kbn n SER 71 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kbn s VAL 72 N -2.72 3.17 -0.03 0.44 -7.23 -1.10 -4.67 120.40 108.26 2kbn s VAL 72 Ca 0.00 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2kbn s VAL 72 Cb 0.00 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2kbn s VAL 72 CO 0.00 -0.30 -0.18 0.54 -0.31 0.00 0.00 175.10 174.85 2kbn s VAL 73 N -2.39 1.49 -0.39 1.32 0.11 -1.21 -2.55 120.40 116.78 2kbn s VAL 73 Ca 0.33 -0.78 -0.25 0.00 -2.93 0.00 0.00 61.98 58.36 2kbn s VAL 73 Cb -0.04 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 2kbn s VAL 73 CO 0.20 0.42 0.88 -0.69 -3.33 0.00 0.00 175.10 172.59 2kbn s VAL 74 N -0.22 4.61 0.60 2.04 1.01 -1.03 -1.74 120.40 125.66 2kbn s VAL 74 Ca 0.02 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.03 2kbn s VAL 74 Cb -0.09 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 32.04 2kbn s VAL 74 CO 0.01 -0.57 0.83 -0.83 0.00 0.00 0.00 175.10 174.53 2kbn s GLY 75 N 1.95 1.80 -0.21 4.51 0.00 0.12 0.07 107.32 115.56 2kbn s GLY 75 Ca 0.36 -1.70 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 2kbn s GLY 75 CO 0.20 -1.29 -0.02 1.85 0.00 0.00 0.00 173.10 173.84 2kbn s GLU 76 N -4.82 3.53 -0.14 2.90 2.12 -1.26 -2.31 118.70 118.72 2kbn s GLU 76 Ca 0.61 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 2kbn s GLU 76 Cb -0.07 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.31 2kbn s GLU 76 CO 0.40 -0.06 -0.01 -0.47 -0.54 0.00 0.00 175.26 174.58 2kbn s TYR 77 N 1.15 1.16 -1.46 5.30 5.04 -0.63 -4.80 117.35 123.11 2kbn s TYR 77 Ca 0.02 -0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 53.87 2kbn s TYR 77 Cb -0.14 -1.06 0.05 0.00 0.35 0.00 0.00 41.96 41.15 2kbn s TYR 77 CO 0.01 -0.51 0.88 0.09 -1.34 0.00 0.00 175.55 174.68 2kbn n ASN 78 N 5.02 -5.41 0.00 4.32 5.03 -1.26 -0.06 115.26 122.90 2kbn n ASN 78 Ca -0.10 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.81 2kbn n ASN 78 Cb 0.49 -4.33 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbn n ASP 79 N -2.73 0.00 -4.99 6.41 8.00 -1.26 -4.96 116.55 117.02 2kbn n ASP 79 Ca -0.01 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.30 2kbn n ASP 79 Cb 0.56 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kbn s ARG 80 N -0.36 3.02 0.09 -1.24 1.81 0.91 -5.08 118.95 118.10 2kbn s ARG 80 Ca 0.00 -0.95 -0.21 0.00 -1.72 0.00 0.00 55.73 52.85 2kbn s ARG 80 Cb 0.00 -2.75 -0.07 0.00 -0.45 0.00 0.00 34.95 31.68 2kbn s ARG 80 CO 0.00 -0.10 0.61 -0.06 -0.68 0.00 0.00 175.30 175.07 2kbn s PHE 81 N -2.30 3.82 0.01 -0.53 0.08 -1.26 -1.60 117.98 116.19 2kbn s PHE 81 Ca 0.48 1.34 -0.07 0.00 0.12 0.00 0.00 56.93 58.81 2kbn s PHE 81 Cb -0.10 -2.56 -0.00 0.00 -0.57 0.00 0.00 43.02 39.80 2kbn s PHE 81 CO 0.33 0.57 0.12 -1.14 -0.10 0.00 0.00 175.22 175.00 2kbn s GLN 82 N -1.08 0.49 -0.14 0.44 0.74 -0.98 -4.39 119.66 114.75 2kbn s GLN 82 Ca 0.30 -0.46 -0.00 0.00 0.05 0.00 0.00 55.36 55.25 2kbn s GLN 82 Cb -0.20 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 2kbn s GLN 82 CO 0.20 -0.12 -0.13 0.14 -0.55 0.00 0.00 175.29 174.84 2kbn s VAL 83 N -1.57 3.04 -0.18 1.34 -7.23 -1.05 0.13 120.40 114.87 2kbn s VAL 83 Ca -0.13 -0.66 -0.05 0.00 -1.81 0.00 0.00 61.98 59.33 2kbn s VAL 83 Cb -0.07 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 2kbn s VAL 83 CO 0.01 0.52 -0.00 -1.10 -0.31 0.00 0.00 175.10 174.21 2kbn s GLN 84 N 0.46 3.70 -0.45 4.82 -0.21 -0.71 -2.35 119.66 124.91 2kbn s GLN 84 Ca -0.09 -0.49 -0.17 0.00 0.02 0.00 0.00 55.36 54.62 2kbn s GLN 84 Cb -0.16 -3.05 0.04 0.00 1.00 0.00 0.00 33.01 30.84 2kbn s GLN 84 CO 0.05 0.13 0.48 0.08 -2.12 0.00 0.00 175.29 173.91 2kbn s VAL 85 N 0.69 5.06 0.00 1.09 1.01 -0.72 -3.34 120.40 124.20 2kbn s VAL 85 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2kbn s VAL 85 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2kbn s VAL 85 CO 0.02 -0.56 0.00 -0.46 0.00 0.00 0.00 175.10 174.11 2kbn n ASN 86 N 5.68 -0.01 -3.28 3.32 2.04 -1.26 -2.34 115.26 119.41 2kbn n ASN 86 Ca -0.08 -1.01 -0.23 0.00 -0.44 0.00 0.00 54.58 52.82 2kbn n ASN 86 Cb 0.46 0.01 0.05 0.00 -2.53 0.00 0.00 39.78 37.77 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2kbn n LYS 87 N -0.00 -6.02 -3.80 -3.83 4.81 -1.26 -1.74 118.16 106.32 2kbn n LYS 87 Ca -0.00 0.86 -0.28 0.00 -0.87 0.00 0.00 58.31 58.02 2kbn n LYS 87 Cb 0.00 -5.79 0.04 0.00 0.02 0.00 0.00 35.03 29.31 2kbn n LYS 87 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kbn n ASN 88 N -2.71 -5.12 -4.67 3.14 5.15 -1.26 -4.87 115.26 104.92 2kbn n ASN 88 Ca -0.06 -0.70 -0.43 0.00 -0.60 0.00 0.00 54.58 52.79 2kbn n ASN 88 Cb 0.59 -4.27 -0.01 0.00 -0.53 0.00 0.00 39.78 35.57 2kbn n ASN 88 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kbn n SER 89 N -2.90 2.39 -4.79 1.20 7.64 -0.71 -4.93 113.62 111.51 2kbn n SER 89 Ca 0.01 1.20 -0.37 0.00 1.01 0.00 0.00 58.87 60.73 2kbn n SER 89 Cb 0.54 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 62.25 2kbn n SER 89 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kbn s SER 90 N -0.37 7.30 -0.03 6.43 0.01 -0.92 -4.91 113.70 121.21 2kbn s SER 90 Ca 0.56 1.76 0.01 0.00 1.31 0.00 0.00 55.95 59.60 2kbn s SER 90 Cb -0.60 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.09 2kbn s SER 90 CO 0.62 -0.04 -0.05 -0.63 0.41 0.00 0.00 173.24 173.55 2kbn s ILE 91 N -1.58 0.52 -0.05 1.44 1.01 -1.26 -1.92 121.20 119.36 2kbn s ILE 91 Ca 0.48 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 61.01 2kbn s ILE 91 Cb -0.19 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 2kbn s ILE 91 CO 0.23 0.20 -0.22 -1.61 0.00 0.00 0.00 174.94 173.54 2kbn s GLU 92 N 0.53 2.28 -0.13 2.79 0.41 -1.08 -4.96 118.70 118.54 2kbn s GLU 92 Ca -0.07 -0.78 -0.27 0.00 -0.41 0.00 0.00 54.97 53.44 2kbn s GLU 92 Cb -0.10 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.30 2kbn s GLU 92 CO 0.00 0.31 0.90 0.21 -0.49 0.00 0.00 175.26 176.20 2kbn s LYS 93 N -0.04 4.37 -0.13 1.61 2.20 -1.26 -1.88 119.74 124.61 2kbn s LYS 93 Ca -0.05 1.18 -0.12 0.00 -0.36 0.00 0.00 55.97 56.63 2kbn s LYS 93 Cb -0.13 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2kbn s LYS 93 CO 0.03 -0.28 0.25 -0.51 -0.36 0.00 0.00 175.35 174.48 2kbn s LEU 94 N 1.94 4.32 0.00 5.43 2.01 -0.88 -4.95 118.68 126.54 2kbn s LEU 94 Ca 0.43 0.53 0.29 0.00 0.01 0.00 0.00 54.13 55.39 2kbn s LEU 94 Cb -0.18 -2.28 1.26 0.00 0.01 0.00 0.00 46.19 45.00 2kbn s LEU 94 CO 0.16 0.24 1.88 -1.20 1.01 0.00 0.00 176.35 178.43 2kbn n SER 95 N 2.83 0.45 -4.38 2.29 7.64 -1.26 -4.17 113.62 117.02 2kbn n SER 95 Ca -0.15 -0.58 -0.40 0.00 1.01 0.00 0.00 58.87 58.75 2kbn n SER 95 Cb 0.53 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 2kbn n SER 95 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kbn s GLU 96 N -2.46 2.84 0.65 1.43 2.02 -1.26 -5.05 118.70 116.87 2kbn s GLU 96 Ca 0.30 -1.07 -0.13 0.00 0.02 0.00 0.00 54.97 54.08 2kbn s GLU 96 Cb 0.20 -3.72 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2kbn s GLU 96 CO 0.47 -0.69 1.06 -1.25 0.02 0.00 0.00 175.26 174.87 2kbn s PRO 97 N 1.55 3.08 -0.21 0.39 0.04 -1.26 -4.74 135.00 133.86 2kbn s PRO 97 Ca 0.02 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 2kbn s PRO 97 Cb -0.19 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2kbn s PRO 97 CO 0.07 -0.99 0.27 0.42 0.04 0.00 0.00 177.00 176.81 2kbn s ILE 98 N -2.74 5.29 0.15 0.56 -1.09 -1.26 -5.04 121.20 117.06 2kbn s ILE 98 Ca 0.61 0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 59.16 2kbn s ILE 98 Cb -0.15 -3.61 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 2kbn s ILE 98 CO 0.46 0.32 1.57 -1.83 -1.23 0.00 0.00 174.94 174.24 2kbn s GLU 99 N 1.03 4.22 0.00 2.79 -1.05 -1.26 -4.87 118.70 119.55 2kbn s GLU 99 Ca 0.13 2.34 0.09 0.00 -0.15 0.00 0.00 54.97 57.38 2kbn s GLU 99 Cb -0.14 -3.24 -0.05 0.00 -0.44 0.00 0.00 34.13 30.26 2kbn s GLU 99 CO 0.05 -0.62 0.46 1.33 0.95 0.00 0.00 175.26 177.43 2kbn n VAL 100 N 4.10 0.00 0.00 1.83 0.24 -1.26 -4.60 118.33 118.65 2kbn n VAL 100 Ca 0.14 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2kbn n VAL 100 Cb 0.39 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 2kbn n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kbn n GLY 101 N 1.05 -0.49 0.26 7.63 0.00 -1.26 -5.00 105.19 107.37 2kbn n GLY 101 Ca 0.02 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.26 2kbn n GLY 101 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kbn n LEU 102 N 0.00 0.80 0.13 0.99 -0.00 -1.26 -4.00 117.00 113.65 2kbn n LEU 102 Ca 0.00 -0.28 0.04 0.00 -0.00 0.00 0.00 56.01 55.77 2kbn n LEU 102 Cb 0.00 -0.01 0.19 0.00 -0.00 0.00 0.00 43.42 43.60 2kbn n LEU 102 CO 0.00 0.14 0.72 -1.84 -0.00 0.00 0.00 177.39 176.41 2kbn n GLU 103 N -0.36 0.05 0.00 1.47 0.28 -1.26 -4.60 120.64 116.22 2kbn n GLU 103 Ca 0.20 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.67 2kbn n GLU 103 Cb 0.23 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.03 2kbn n GLU 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kbn n HIS 104 N -1.79 0.00 -0.79 -1.84 8.25 -1.26 -4.61 115.22 113.18 2kbn n HIS 104 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kbn n HIS 104 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2kbn n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kbn n HIS 105 N 0.00 0.00 -1.61 4.41 -0.00 -1.26 -4.79 115.22 111.97 2kbn n HIS 105 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2kbn n HIS 105 Cb 0.00 -1.72 -0.05 0.00 -0.00 0.00 0.00 29.99 28.22 2kbn n HIS 105 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kbn n HIS 106 N -1.68 1.84 0.00 1.57 8.25 -1.26 -4.99 115.22 118.95 2kbn n HIS 106 Ca 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 57.72 55.16 2kbn n HIS 106 Cb 0.37 -1.66 0.00 0.00 1.12 0.00 0.00 29.99 29.82 2kbn n HIS 106 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kbn n HIS 107 N 1.57 -0.31 -3.74 4.41 1.44 -1.26 -4.91 115.22 112.41 2kbn n HIS 107 Ca 0.56 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 56.17 2kbn n HIS 107 Cb 0.46 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.51 2kbn n HIS 107 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kbn s HIS 108 N 0.00 -0.03 -2.00 -1.40 -3.43 -1.26 -5.16 115.29 102.01 2kbn s HIS 108 Ca 0.00 -0.32 0.24 0.00 -0.80 0.00 0.00 55.06 54.17 2kbn s HIS 108 Cb 0.00 0.17 1.41 0.00 -1.43 0.00 0.00 32.58 32.73 2kbn s HIS 108 CO 0.00 -0.70 1.78 1.58 -2.00 0.00 0.00 174.74 175.40