#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn n GLU 2 N 0.00 -3.68 -2.15 2.12 -0.58 -1.26 -4.84 120.64 110.25 2kbn n GLU 2 Ca 0.00 2.85 -0.37 0.00 -0.42 0.00 0.00 57.16 59.21 2kbn n GLU 2 Cb 0.00 -3.61 0.00 0.00 -0.57 0.00 0.00 31.44 27.26 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kbn s PRO 3 N -5.13 3.63 -0.94 3.49 0.04 -1.26 -4.92 135.00 129.91 2kbn s PRO 3 Ca 0.00 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2kbn s PRO 3 Cb 0.00 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.18 2kbn s PRO 3 CO 0.00 -0.69 1.55 -0.65 0.04 0.00 0.00 177.00 177.25 2kbn s GLN 4 N -2.73 3.28 -0.01 4.56 -0.21 -1.26 -4.95 119.66 118.33 2kbn s GLN 4 Ca 0.65 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.98 2kbn s GLN 4 Cb -0.31 -5.10 -0.05 0.00 1.00 0.00 0.00 33.01 28.55 2kbn s GLN 4 CO 0.38 -2.47 1.30 -0.51 -2.12 0.00 0.00 175.29 171.87 2kbn s LEU 5 N 6.32 4.31 -0.06 2.90 1.43 -1.26 -1.62 118.68 130.70 2kbn s LEU 5 Ca 0.50 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 2kbn s LEU 5 Cb -0.03 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2kbn s LEU 5 CO -0.03 -0.64 -0.15 -0.89 0.23 0.00 0.00 176.35 174.87 2kbn s THR 6 N 2.16 1.31 0.56 5.49 2.01 -0.97 -4.97 115.64 121.23 2kbn s THR 6 Ca 0.60 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 2kbn s THR 6 Cb -0.29 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 2kbn s THR 6 CO 0.25 0.39 1.05 -0.54 -0.69 0.00 0.00 174.62 175.08 2kbn s LYS 7 N 0.36 3.49 0.16 4.92 1.02 -1.26 -4.77 119.74 123.66 2kbn s LYS 7 Ca -0.10 1.24 -0.14 0.00 0.02 0.00 0.00 55.97 56.99 2kbn s LYS 7 Cb -0.14 -2.06 0.05 0.00 -0.52 0.00 0.00 37.83 35.17 2kbn s LYS 7 CO 0.03 -0.67 1.74 0.82 -0.92 0.00 0.00 175.35 176.35 2kbn h ILE 8 N 0.79 1.20 0.00 2.17 2.04 -1.97 -1.95 117.51 119.79 2kbn h ILE 8 Ca -0.48 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2kbn h ILE 8 Cb 1.22 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2kbn h ILE 8 CO 0.58 0.23 -0.08 1.62 0.00 0.00 0.00 178.15 180.50 2kbn h VAL 9 N 0.71 0.47 0.00 1.67 3.04 -1.93 -0.89 116.25 119.32 2kbn h VAL 9 Ca 0.18 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2kbn h VAL 9 Cb 0.13 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2kbn h VAL 9 CO -0.02 0.08 0.00 -0.67 -1.01 0.00 0.00 177.57 175.95 2kbn n ASP 10 N -3.59 0.00 -4.65 3.17 -0.08 -0.74 -4.71 116.55 105.96 2kbn n ASP 10 Ca -0.02 -0.04 -0.42 0.00 -1.51 0.00 0.00 54.79 52.80 2kbn n ASP 10 Cb 0.20 -0.29 -0.04 0.00 2.34 0.00 0.00 41.12 43.33 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2kbn s ILE 11 N -2.59 4.81 0.00 5.18 1.01 -0.34 -4.82 121.20 124.45 2kbn s ILE 11 Ca 0.23 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2kbn s ILE 11 Cb 0.16 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2kbn s ILE 11 CO 0.38 -0.08 0.10 1.33 0.00 0.00 0.00 174.94 176.67 2kbn n VAL 12 N 5.21 0.00 -3.90 2.92 0.24 -1.26 -5.07 118.33 116.47 2kbn n VAL 12 Ca 0.07 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 2kbn n VAL 12 Cb 0.47 1.79 -0.13 0.00 -1.47 0.00 0.00 33.84 34.50 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 -0.00 0.07 0.50 7.34 2.56 -1.26 -5.16 118.70 122.75 2kbn s GLU 13 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.97 54.81 2kbn s GLU 13 Cb 0.00 0.01 -0.03 0.00 2.00 0.00 0.00 34.13 36.11 2kbn s GLU 13 CO 0.00 -0.01 0.80 0.54 -0.56 0.00 0.00 175.26 176.03 2kbn s ASN 14 N -0.27 6.10 0.00 -1.70 2.20 -1.26 -4.10 114.94 115.92 2kbn s ASN 14 Ca -0.03 0.84 0.00 0.00 -0.94 0.00 0.00 52.86 52.74 2kbn s ASN 14 Cb -0.02 -2.10 0.00 0.00 -2.00 0.00 0.00 41.25 37.13 2kbn s ASN 14 CO -0.00 -0.68 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 2kbn n GLY 15 N -2.31 0.50 3.72 0.45 0.00 0.59 -4.97 105.19 103.17 2kbn n GLY 15 Ca 0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2kbn n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kbn s GLN 16 N -0.90 4.61 -0.41 1.61 -0.21 -1.26 -4.76 119.66 118.34 2kbn s GLN 16 Ca 0.00 1.50 -0.10 0.00 0.02 0.00 0.00 55.36 56.77 2kbn s GLN 16 Cb 0.00 -3.39 0.06 0.00 1.00 0.00 0.00 33.01 30.68 2kbn s GLN 16 CO 0.00 0.06 0.26 -1.58 -2.12 0.00 0.00 175.29 171.91 2kbn s TRP 17 N 0.42 3.30 0.32 0.91 0.52 -1.26 -2.40 118.94 120.74 2kbn s TRP 17 Ca 0.50 -1.29 -0.09 0.00 0.02 0.00 0.00 56.10 55.24 2kbn s TRP 17 Cb -0.24 -2.81 0.04 0.00 -1.15 0.00 0.00 33.47 29.31 2kbn s TRP 17 CO 0.30 -0.78 0.59 0.00 0.02 0.00 0.00 176.95 177.07 2kbn n ALA 18 N 4.97 -1.14 -2.77 0.98 0.00 -1.07 -4.94 120.51 116.54 2kbn n ALA 18 Ca -0.11 -1.14 -0.35 0.00 0.00 0.00 0.00 53.44 51.84 2kbn n ALA 18 Cb 0.44 0.91 -0.08 0.00 0.00 0.00 0.00 19.45 20.72 2kbn n ALA 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kbn s ASN 19 N -2.74 5.74 0.05 0.00 2.47 -0.64 -2.49 114.94 117.32 2kbn s ASN 19 Ca 0.16 0.25 0.03 0.00 0.42 0.00 0.00 52.86 53.73 2kbn s ASN 19 Cb -0.03 -1.71 -0.03 0.00 -1.45 0.00 0.00 41.25 38.03 2kbn s ASN 19 CO 0.12 0.36 -0.10 -0.76 -3.72 0.00 0.00 177.10 173.01 2kbn s LEU 20 N -1.16 2.28 -0.01 3.21 1.43 -0.88 -2.29 118.68 121.26 2kbn s LEU 20 Ca 0.16 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2kbn s LEU 20 Cb -0.12 -0.26 -0.00 0.00 0.03 0.00 0.00 46.19 45.84 2kbn s LEU 20 CO 0.06 -0.18 -0.06 -0.75 0.23 0.00 0.00 176.35 175.65 2kbn s LYS 21 N -1.76 0.53 0.03 1.70 2.20 -1.26 -0.47 119.74 120.70 2kbn s LYS 21 Ca -0.06 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.31 2kbn s LYS 21 Cb -0.09 -0.52 0.01 0.00 -1.51 0.00 0.00 37.83 35.72 2kbn s LYS 21 CO 0.01 0.11 0.14 0.00 -0.36 0.00 0.00 175.35 175.25 2kbn n ALA 22 N 3.07 -0.36 -2.40 3.13 0.00 -1.06 -5.00 120.51 117.88 2kbn n ALA 22 Ca -0.15 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 2kbn n ALA 22 Cb 0.57 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.97 2kbn n ALA 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kbn s LYS 23 N -2.01 1.62 -0.05 0.00 -2.85 -1.08 -1.15 119.74 114.23 2kbn s LYS 23 Ca 0.03 -1.05 -0.27 0.00 -1.00 0.00 0.00 55.97 53.68 2kbn s LYS 23 Cb -0.00 -1.79 -0.03 0.00 -2.06 0.00 0.00 37.83 33.95 2kbn s LYS 23 CO 0.01 0.46 0.87 0.08 0.10 0.00 0.00 175.35 176.87 2kbn s VAL 24 N -0.81 4.93 -0.24 1.79 1.01 -1.10 0.08 120.40 126.07 2kbn s VAL 24 Ca 0.10 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 63.75 2kbn s VAL 24 Cb -0.10 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 2kbn s VAL 24 CO 0.02 0.17 -0.32 -0.38 0.00 0.00 0.00 175.10 174.59 2kbn n ILE 25 N 3.99 1.39 -3.82 2.22 5.41 -1.12 -1.83 119.36 125.60 2kbn n ILE 25 Ca 0.03 -0.27 -0.12 0.00 1.00 0.00 0.00 62.75 63.39 2kbn n ILE 25 Cb 0.51 -1.91 -0.11 0.00 -0.71 0.00 0.00 39.64 37.42 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 -2.51 0.38 -0.04 0.38 0.74 -1.25 -4.78 119.66 112.58 2kbn s GLN 26 Ca -0.34 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.08 2kbn s GLN 26 Cb 0.12 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.41 2kbn s GLN 26 CO 0.43 -0.08 -0.08 -0.48 -0.55 0.00 0.00 175.29 174.53 2kbn s LEU 27 N -0.60 1.61 -0.09 3.68 2.34 -1.26 -2.55 118.68 121.80 2kbn s LEU 27 Ca -0.07 -0.19 0.01 0.00 0.06 0.00 0.00 54.13 53.93 2kbn s LEU 27 Cb -0.04 -0.57 -0.02 0.00 -0.56 0.00 0.00 46.19 44.99 2kbn s LEU 27 CO 0.01 0.02 -0.10 0.26 -1.06 0.00 0.00 176.35 175.48 2kbn s TRP 28 N 0.53 2.86 -0.01 3.48 0.52 0.13 -4.93 118.94 121.53 2kbn s TRP 28 Ca -0.09 -0.26 -0.18 0.00 0.02 0.00 0.00 56.10 55.60 2kbn s TRP 28 Cb -0.12 -1.77 -0.06 0.00 -1.15 0.00 0.00 33.47 30.38 2kbn s TRP 28 CO 0.01 0.09 0.50 -2.00 0.02 0.00 0.00 176.95 175.57 2kbn s GLU 29 N -0.29 4.16 0.54 4.98 2.12 -1.26 -0.57 118.70 128.38 2kbn s GLU 29 Ca 0.03 0.56 0.08 0.00 0.36 0.00 0.00 54.97 56.01 2kbn s GLU 29 Cb -0.13 -3.29 0.06 0.00 0.26 0.00 0.00 34.13 31.03 2kbn s GLU 29 CO 0.03 0.50 0.65 0.54 -0.54 0.00 0.00 175.26 176.45 2kbn s ASN 30 N -0.56 5.05 -0.00 -1.70 4.22 -1.11 -4.97 114.94 115.88 2kbn s ASN 30 Ca 0.27 -0.89 0.16 0.00 -2.14 0.00 0.00 52.86 50.26 2kbn s ASN 30 Cb -0.17 0.17 -0.18 0.00 1.28 0.00 0.00 41.25 42.34 2kbn s ASN 30 CO 0.15 -1.18 0.65 0.41 -2.04 0.00 0.00 177.10 175.09 2kbn n THR 31 N -2.05 0.00 -2.88 0.54 -1.04 -1.26 -4.96 114.28 102.63 2kbn n THR 31 Ca 0.10 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 2kbn n THR 31 Cb 0.62 0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 69.99 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 -2.59 3.84 0.29 -1.42 3.76 -1.26 -4.95 115.29 112.97 2kbn s HIS 32 Ca 0.05 1.68 0.09 0.00 -0.15 0.00 0.00 55.06 56.72 2kbn s HIS 32 Cb 0.12 -2.89 0.43 0.00 1.11 0.00 0.00 32.58 31.34 2kbn s HIS 32 CO 0.67 0.35 1.66 0.93 -0.85 0.00 0.00 174.74 177.50 2kbn h GLU 33 N 5.04 0.09 -0.55 1.40 5.08 -1.98 -3.01 114.58 120.64 2kbn h GLU 33 Ca -0.45 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 57.91 2kbn h GLU 33 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2kbn h GLU 33 CO 0.69 0.60 0.37 0.66 -1.00 0.00 0.00 179.01 180.33 2kbn h SER 34 N 0.07 0.48 -3.84 1.42 4.64 -1.99 -3.41 113.55 110.93 2kbn h SER 34 Ca -0.00 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.65 2kbn h SER 34 Cb 0.96 -0.11 -0.32 0.00 -0.31 0.00 0.00 62.40 62.62 2kbn h SER 34 CO 0.07 0.32 -0.87 -0.63 -0.87 0.00 0.00 176.83 174.85 2kbn s ILE 35 N -5.50 1.94 0.00 0.95 1.01 -1.14 -4.05 121.20 114.40 2kbn s ILE 35 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2kbn s ILE 35 Cb 0.19 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 41.01 2kbn s ILE 35 CO 0.75 0.54 0.00 -0.24 0.00 0.00 0.00 174.94 175.99 2kbn n SER 36 N 3.12 0.00 -4.17 3.58 2.88 -1.00 -4.49 113.62 113.54 2kbn n SER 36 Ca -0.18 0.31 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2kbn n SER 36 Cb 0.52 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.47 2kbn n SER 36 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kbn s GLN 37 N -0.82 0.83 -0.00 -1.46 -0.21 -1.26 -2.73 119.66 114.00 2kbn s GLN 37 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.18 2kbn s GLN 37 Cb 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.59 2kbn s GLN 37 CO 0.00 0.05 -0.00 0.54 -2.12 0.00 0.00 175.29 173.75 2kbn s VAL 38 N -2.77 0.04 0.00 1.09 0.11 0.27 -2.58 120.40 116.55 2kbn s VAL 38 Ca 0.07 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2kbn s VAL 38 Cb -0.01 -0.04 0.00 0.00 -1.53 0.00 0.00 36.38 34.80 2kbn s VAL 38 CO -0.01 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2kbn n GLY 39 N 3.09 2.53 3.13 6.54 0.00 -1.09 0.22 105.19 119.60 2kbn n GLY 39 Ca -0.12 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 2.32 -0.11 0.99 2.34 -1.06 -2.07 118.68 121.09 2kbn s LEU 40 Ca 0.00 -0.67 0.01 0.00 0.06 0.00 0.00 54.13 53.53 2kbn s LEU 40 Cb 0.00 -0.29 -0.01 0.00 -0.56 0.00 0.00 46.19 45.32 2kbn s LEU 40 CO 0.00 -0.20 -0.16 -0.76 -1.06 0.00 0.00 176.35 174.17 2kbn s LEU 41 N -1.97 2.57 0.62 1.48 1.43 0.34 -2.78 118.68 120.36 2kbn s LEU 41 Ca -0.02 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 2kbn s LEU 41 Cb -0.07 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2kbn s LEU 41 CO 0.00 0.19 1.02 -0.83 0.23 0.00 0.00 176.35 176.96 2kbn s GLY 42 N 0.20 1.64 -0.25 -3.19 0.00 0.11 -2.38 107.32 103.44 2kbn s GLY 42 Ca -0.10 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 2kbn s GLY 42 CO 0.06 0.09 1.23 -0.35 0.00 0.00 0.00 173.10 174.13 2kbn s ASP 43 N -4.21 -0.20 0.34 1.64 2.15 -0.45 -2.63 116.67 113.31 2kbn s ASP 43 Ca 0.55 0.29 0.20 0.00 0.43 0.00 0.00 52.55 54.02 2kbn s ASP 43 Cb -0.11 0.26 1.09 0.00 -0.30 0.00 0.00 42.92 43.86 2kbn s ASP 43 CO 0.53 -0.13 1.58 -0.33 -0.17 0.00 0.00 175.17 176.65 2kbn h GLU 44 N 2.80 0.00 -0.00 4.34 5.08 -1.89 0.34 114.58 125.24 2kbn h GLU 44 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2kbn h GLU 44 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kbn h GLU 44 CO 0.22 0.00 -0.58 0.25 -1.00 0.00 0.00 179.01 177.90 2kbn n THR 45 N -2.24 0.00 0.00 1.13 -2.24 -1.26 -5.06 114.28 104.60 2kbn n THR 45 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2kbn n THR 45 Cb 0.13 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.45 0.88 3.32 3.38 0.00 0.12 -4.70 105.19 109.64 2kbn n GLY 46 Ca 0.07 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.09 1.81 -0.01 -0.61 -4.36 -1.26 -1.35 121.20 112.33 2kbn s ILE 47 Ca 0.00 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.45 2kbn s ILE 47 Cb 0.00 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.94 2kbn s ILE 47 CO 0.00 -0.24 0.23 -0.51 0.24 0.00 0.00 174.94 174.66 2kbn s ILE 48 N -1.81 0.07 0.34 8.37 2.07 -1.00 -4.94 121.20 124.30 2kbn s ILE 48 Ca 0.13 -0.55 -0.19 0.00 -1.41 0.00 0.00 60.65 58.64 2kbn s ILE 48 Cb -0.07 -0.52 -0.10 0.00 0.13 0.00 0.00 42.46 41.90 2kbn s ILE 48 CO 0.06 -0.30 0.83 -0.54 -1.91 0.00 0.00 174.94 173.08 2kbn s LYS 49 N -1.29 4.17 0.03 3.50 -0.14 -1.26 -0.51 119.74 124.25 2kbn s LYS 49 Ca -0.13 0.91 -0.06 0.00 -1.36 0.00 0.00 55.97 55.33 2kbn s LYS 49 Cb -0.06 -2.45 -0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2kbn s LYS 49 CO 0.03 0.14 0.10 -0.59 -0.76 0.00 0.00 175.35 174.27 2kbn s PHE 50 N -1.95 0.17 -0.02 3.18 -0.71 -0.88 -1.74 117.98 116.02 2kbn s PHE 50 Ca 0.55 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 56.03 2kbn s PHE 50 Cb -0.12 -0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 2kbn s PHE 50 CO 0.17 -0.34 -0.06 0.99 -1.34 0.00 0.00 175.22 174.63 2kbn s THR 51 N -2.31 0.58 -0.22 -4.49 2.01 -0.94 -2.69 115.64 107.58 2kbn s THR 51 Ca -0.07 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 2kbn s THR 51 Cb -0.03 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2kbn s THR 51 CO -0.03 0.20 0.12 -0.63 -0.69 0.00 0.00 174.62 173.59 2kbn s ILE 52 N 0.28 5.10 -0.05 1.82 1.01 -1.07 -2.16 121.20 126.13 2kbn s ILE 52 Ca -0.04 0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 2kbn s ILE 52 Cb -0.08 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2kbn s ILE 52 CO 0.00 0.38 0.29 0.26 0.00 0.00 0.00 174.94 175.87 2kbn s TRP 53 N 0.90 3.67 -0.91 3.97 0.52 -1.02 -2.38 118.94 123.70 2kbn s TRP 53 Ca 0.06 0.79 0.27 0.00 0.02 0.00 0.00 56.10 57.25 2kbn s TRP 53 Cb -0.13 -2.15 1.08 0.00 -1.15 0.00 0.00 33.47 31.12 2kbn s TRP 53 CO 0.03 0.67 1.86 1.63 0.02 0.00 0.00 176.95 181.16 2kbn n LYS 54 N 1.93 0.08 -0.31 4.98 5.02 -1.26 -3.45 118.16 125.16 2kbn n LYS 54 Ca -0.16 0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.17 2kbn n LYS 54 Cb 0.53 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kbn h ASN 55 N 0.00 1.03 0.86 4.39 2.35 -1.93 -0.10 115.58 122.18 2kbn h ASN 55 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2kbn h ASN 55 Cb 0.56 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2kbn h ASN 55 CO 0.00 0.83 0.00 0.00 -1.65 0.00 0.00 177.43 176.61 2kbn n ALA 56 N -2.38 2.04 -3.38 -0.83 0.00 -1.22 -4.85 120.51 109.89 2kbn n ALA 56 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 2kbn n ALA 56 Cb 0.09 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.20 2kbn n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kbn n GLU 57 N -1.65 -1.71 -4.10 0.00 1.02 -0.05 -4.98 120.64 109.17 2kbn n GLU 57 Ca 0.05 0.85 -0.32 0.00 -0.02 0.00 0.00 57.16 57.73 2kbn n GLU 57 Cb 0.28 -5.09 -0.07 0.00 -0.02 0.00 0.00 31.44 26.54 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kbn s LEU 58 N -5.45 3.81 0.82 -4.62 1.43 -1.26 -5.11 118.68 108.29 2kbn s LEU 58 Ca 0.36 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 2kbn s LEU 58 Cb -0.08 -2.35 0.08 0.00 0.03 0.00 0.00 46.19 43.87 2kbn s LEU 58 CO 0.79 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 176.52 2kbn s PRO 59 N -2.04 1.88 0.40 1.29 0.04 -1.26 -5.00 135.00 130.32 2kbn s PRO 59 Ca 0.26 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 2kbn s PRO 59 Cb -0.12 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2kbn s PRO 59 CO 0.17 -1.86 1.21 -0.51 0.04 0.00 0.00 177.00 176.05 2kbn s LEU 60 N -6.03 4.20 0.04 -3.56 1.43 -1.26 -5.01 118.68 108.50 2kbn s LEU 60 Ca 0.62 2.44 -0.14 0.00 -1.03 0.00 0.00 54.13 56.02 2kbn s LEU 60 Cb -0.17 -3.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.01 2kbn s LEU 60 CO 0.56 -0.73 0.44 -0.76 0.23 0.00 0.00 176.35 176.09 2kbn s LEU 61 N -2.46 4.44 0.37 1.79 1.02 -1.26 -5.08 118.68 117.51 2kbn s LEU 61 Ca 0.57 0.96 -0.14 0.00 0.02 0.00 0.00 54.13 55.54 2kbn s LEU 61 Cb -0.33 -2.78 -0.08 0.00 0.02 0.00 0.00 46.19 43.02 2kbn s LEU 61 CO 0.42 0.26 0.78 -1.61 0.02 0.00 0.00 176.35 176.22 2kbn s GLU 62 N -1.36 3.93 0.17 1.70 2.02 -1.26 -5.04 118.70 118.85 2kbn s GLU 62 Ca 0.28 0.65 -0.28 0.00 0.02 0.00 0.00 54.97 55.64 2kbn s GLU 62 Cb -0.16 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.62 2kbn s GLU 62 CO 0.16 0.04 0.87 -1.14 0.02 0.00 0.00 175.26 175.20 2kbn s GLN 63 N -3.39 4.69 -0.01 1.61 0.74 -1.26 -3.68 119.66 118.36 2kbn s GLN 63 Ca 0.54 1.32 0.00 0.00 0.05 0.00 0.00 55.36 57.27 2kbn s GLN 63 Cb -0.10 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2kbn s GLN 63 CO 0.23 0.46 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 2kbn n GLY 64 N 1.76 0.38 3.22 2.59 0.00 -0.76 -5.01 105.19 107.36 2kbn n GLY 64 Ca -0.03 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.73 1.14 0.31 1.61 0.41 -1.24 -4.94 118.70 113.26 2kbn s GLU 65 Ca 0.00 -0.93 -0.21 0.00 -0.41 0.00 0.00 54.97 53.42 2kbn s GLU 65 Cb 0.00 -1.25 -0.09 0.00 -1.78 0.00 0.00 34.13 31.01 2kbn s GLU 65 CO 0.00 0.31 0.83 -1.54 -0.49 0.00 0.00 175.26 174.37 2kbn s SER 66 N -1.36 7.07 0.01 -0.19 1.04 -1.26 -2.71 113.70 116.30 2kbn s SER 66 Ca 0.05 1.57 -0.01 0.00 0.48 0.00 0.00 55.95 58.04 2kbn s SER 66 Cb -0.09 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2kbn s SER 66 CO 0.02 -0.11 -0.00 -0.31 0.98 0.00 0.00 173.24 173.82 2kbn s TYR 67 N -1.75 0.12 -0.23 5.02 2.02 -0.30 -2.61 117.35 119.62 2kbn s TYR 67 Ca 0.51 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.90 2kbn s TYR 67 Cb -0.15 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 2kbn s TYR 67 CO 0.20 -0.10 0.06 -1.17 -1.57 0.00 0.00 175.55 172.97 2kbn s LEU 68 N -0.73 3.53 -0.22 -1.29 2.96 -0.83 -2.56 118.68 119.53 2kbn s LEU 68 Ca -0.08 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2kbn s LEU 68 Cb -0.05 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2kbn s LEU 68 CO -0.00 0.03 0.09 -0.76 -1.32 0.00 0.00 176.35 174.38 2kbn s LEU 69 N 1.23 3.74 -0.09 -0.68 1.43 0.38 -2.59 118.68 122.10 2kbn s LEU 69 Ca 0.05 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2kbn s LEU 69 Cb -0.14 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2kbn s LEU 69 CO 0.03 0.07 -0.14 -0.13 0.23 0.00 0.00 176.35 176.41 2kbn s ARG 70 N 0.98 2.93 -0.61 1.70 0.52 -0.92 -2.07 118.95 121.48 2kbn s ARG 70 Ca 0.05 -0.71 -0.06 0.00 -0.52 0.00 0.00 55.73 54.49 2kbn s ARG 70 Cb -0.14 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.85 2kbn s ARG 70 CO 0.03 0.41 0.65 0.45 0.02 0.00 0.00 175.30 176.86 2kbn n SER 71 N 2.94 -7.73 -4.38 0.23 2.88 -1.26 -2.67 113.62 103.64 2kbn n SER 71 Ca -0.18 0.15 -0.20 0.00 -1.33 0.00 0.00 58.87 57.31 2kbn n SER 71 Cb 0.52 -5.25 -0.10 0.00 -0.75 0.00 0.00 64.21 58.63 2kbn n SER 71 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2kbn s VAL 72 N -2.84 1.95 -0.05 2.46 -7.23 -1.04 -4.28 120.40 109.36 2kbn s VAL 72 Ca 0.09 -2.22 0.06 0.00 -1.81 0.00 0.00 61.98 58.09 2kbn s VAL 72 Cb -0.03 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 2kbn s VAL 72 CO 0.74 -0.50 -0.23 0.54 -0.31 0.00 0.00 175.10 175.34 2kbn s VAL 73 N -2.72 1.87 -0.27 1.32 0.11 -1.22 -2.58 120.40 116.91 2kbn s VAL 73 Ca 0.24 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.07 2kbn s VAL 73 Cb -0.03 -1.59 -0.00 0.00 -1.53 0.00 0.00 36.38 33.23 2kbn s VAL 73 CO 0.09 0.52 0.85 -0.69 -3.33 0.00 0.00 175.10 172.54 2kbn s VAL 74 N -0.09 4.79 0.50 2.04 1.01 -1.01 -1.92 120.40 125.72 2kbn s VAL 74 Ca -0.04 1.50 0.05 0.00 0.00 0.00 0.00 61.98 63.49 2kbn s VAL 74 Cb -0.13 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.12 2kbn s VAL 74 CO 0.03 -0.16 0.69 -0.83 0.00 0.00 0.00 175.10 174.83 2kbn s GLY 75 N 1.44 1.87 -0.21 4.51 0.00 -0.23 -0.30 107.32 114.40 2kbn s GLY 75 Ca 0.36 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 2kbn s GLY 75 CO 0.09 -1.34 -0.04 1.85 0.00 0.00 0.00 173.10 173.67 2kbn s GLU 76 N -4.57 3.42 -0.06 2.90 2.12 -1.26 -2.38 118.70 118.86 2kbn s GLU 76 Ca 0.57 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.29 2kbn s GLU 76 Cb -0.09 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.31 2kbn s GLU 76 CO 0.36 -0.14 -0.03 -0.47 -0.54 0.00 0.00 175.26 174.44 2kbn s TYR 77 N 1.34 0.81 -1.31 5.30 5.04 -0.66 -4.85 117.35 123.02 2kbn s TYR 77 Ca 0.04 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.39 2kbn s TYR 77 Cb -0.14 -0.79 -0.00 0.00 0.35 0.00 0.00 41.96 41.38 2kbn s TYR 77 CO -0.02 -0.28 0.61 0.09 -1.34 0.00 0.00 175.55 174.62 2kbn n ASN 78 N 4.55 -1.49 0.00 4.32 5.03 -1.26 -0.06 115.26 126.35 2kbn n ASN 78 Ca -0.17 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.37 2kbn n ASN 78 Cb 0.50 -3.64 0.00 0.00 -1.02 0.00 0.00 39.78 35.62 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 -2.99 -1.22 -4.89 6.41 8.00 -1.26 -4.89 116.55 115.71 2kbn n ASP 79 Ca -0.27 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.02 2kbn n ASP 79 Cb 0.67 -2.18 -0.03 0.00 -0.02 0.00 0.00 41.12 39.56 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 -0.98 2.97 0.02 -1.24 1.81 0.92 -5.11 118.95 117.34 2kbn s ARG 80 Ca 0.00 -1.09 -0.09 0.00 -1.72 0.00 0.00 55.73 52.83 2kbn s ARG 80 Cb 0.00 -2.63 -0.05 0.00 -0.45 0.00 0.00 34.95 31.81 2kbn s ARG 80 CO 0.00 0.22 0.33 -0.06 -0.68 0.00 0.00 175.30 175.11 2kbn s PHE 81 N -2.18 3.61 0.08 -0.53 0.08 -1.26 -1.66 117.98 116.12 2kbn s PHE 81 Ca 0.39 0.73 -0.08 0.00 0.12 0.00 0.00 56.93 58.08 2kbn s PHE 81 Cb -0.08 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2kbn s PHE 81 CO 0.27 0.60 0.17 1.14 -0.10 0.00 0.00 175.22 177.30 2kbn s GLN 82 N -1.62 0.82 -0.16 0.44 -2.07 -1.00 -4.13 119.66 111.94 2kbn s GLN 82 Ca 0.28 -0.98 -0.02 0.00 -1.82 0.00 0.00 55.36 52.81 2kbn s GLN 82 Cb -0.14 0.33 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 2kbn s GLN 82 CO 0.15 -0.25 -0.07 0.14 -1.32 0.00 0.00 175.29 173.94 2kbn s VAL 83 N -3.86 3.49 -0.20 3.63 -7.23 -0.71 -1.06 120.40 114.46 2kbn s VAL 83 Ca 0.05 -0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 2kbn s VAL 83 Cb 0.05 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2kbn s VAL 83 CO -0.11 0.49 -0.02 -1.10 -0.31 0.00 0.00 175.10 174.06 2kbn s GLN 84 N 0.54 3.57 -0.47 4.82 -0.21 -0.81 -2.22 119.66 124.88 2kbn s GLN 84 Ca -0.05 -0.55 -0.17 0.00 0.02 0.00 0.00 55.36 54.61 2kbn s GLN 84 Cb -0.15 -3.03 0.05 0.00 1.00 0.00 0.00 33.01 30.89 2kbn s GLN 84 CO 0.03 0.01 0.48 0.08 -2.12 0.00 0.00 175.29 173.77 2kbn s VAL 85 N 0.98 5.08 0.28 1.09 1.01 -0.92 -3.44 120.40 124.49 2kbn s VAL 85 Ca 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2kbn s VAL 85 Cb -0.14 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2kbn s VAL 85 CO 0.01 -0.60 0.44 -0.46 0.00 0.00 0.00 175.10 174.49 2kbn n ASN 86 N 5.63 -1.26 0.00 3.32 0.23 -1.26 -2.42 115.26 119.50 2kbn n ASN 86 Ca -0.09 -2.39 0.00 0.00 -0.53 0.00 0.00 54.58 51.57 2kbn n ASN 86 Cb 0.45 2.25 0.00 0.00 -2.08 0.00 0.00 39.78 40.40 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2kbn n LYS 87 N -0.43 0.00 -0.40 -3.83 4.81 -1.26 -2.23 118.16 114.82 2kbn n LYS 87 Ca -0.02 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.44 2kbn n LYS 87 Cb 0.45 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.67 2kbn n LYS 87 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kbn n ASN 88 N 4.51 3.06 -4.74 3.14 5.03 -1.26 -4.48 115.26 120.52 2kbn n ASN 88 Ca 0.00 -2.42 -0.38 0.00 0.87 0.00 0.00 54.58 52.65 2kbn n ASN 88 Cb 0.00 -0.59 0.05 0.00 -1.02 0.00 0.00 39.78 38.23 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2kbn s SER 89 N -0.31 4.99 0.10 6.41 0.01 -0.95 -4.93 113.70 119.03 2kbn s SER 89 Ca 0.23 2.74 0.06 0.00 1.31 0.00 0.00 55.95 60.29 2kbn s SER 89 Cb 0.18 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2kbn s SER 89 CO 0.07 -1.76 -0.16 -0.44 0.41 0.00 0.00 173.24 171.37 2kbn s SER 90 N -1.09 2.03 -0.05 2.44 0.01 -1.09 -4.93 113.70 111.02 2kbn s SER 90 Ca 0.76 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 57.32 2kbn s SER 90 Cb -0.40 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 65.76 2kbn s SER 90 CO 0.45 -0.08 -0.13 -0.63 0.41 0.00 0.00 173.24 173.27 2kbn s ILE 91 N -1.68 1.10 -0.05 1.44 1.01 -1.26 -2.17 121.20 119.59 2kbn s ILE 91 Ca 0.05 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2kbn s ILE 91 Cb -0.07 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 2kbn s ILE 91 CO 0.03 0.34 -0.16 -0.70 0.00 0.00 0.00 174.94 174.44 2kbn s GLU 92 N 0.32 1.79 -0.01 2.79 2.12 -1.07 -4.96 118.70 119.68 2kbn s GLU 92 Ca -0.07 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 2kbn s GLU 92 Cb -0.12 -1.53 -0.03 0.00 0.26 0.00 0.00 34.13 32.71 2kbn s GLU 92 CO 0.02 0.20 0.99 0.21 -0.54 0.00 0.00 175.26 176.14 2kbn s LYS 93 N 0.15 4.53 -0.17 4.30 2.20 -1.26 -1.97 119.74 127.52 2kbn s LYS 93 Ca -0.06 1.43 -0.09 0.00 -0.36 0.00 0.00 55.97 56.89 2kbn s LYS 93 Cb -0.12 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2kbn s LYS 93 CO 0.03 -0.10 0.12 -0.51 -0.36 0.00 0.00 175.35 174.53 2kbn s LEU 94 N 1.18 4.21 -0.00 5.43 2.01 -1.07 -4.96 118.68 125.47 2kbn s LEU 94 Ca 0.52 0.28 0.06 0.00 0.01 0.00 0.00 54.13 55.00 2kbn s LEU 94 Cb -0.21 -2.06 0.18 0.00 0.01 0.00 0.00 46.19 44.10 2kbn s LEU 94 CO 0.26 0.25 1.13 -0.24 1.01 0.00 0.00 176.35 178.77 2kbn n SER 95 N 3.03 1.11 -3.98 2.29 2.88 -1.26 -4.41 113.62 113.28 2kbn n SER 95 Ca -0.17 -2.01 -0.31 0.00 -1.33 0.00 0.00 58.87 55.04 2kbn n SER 95 Cb 0.53 -0.15 -0.13 0.00 -0.75 0.00 0.00 64.21 63.71 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2kbn s GLU 96 N -1.72 2.09 0.53 -1.46 2.12 -1.26 -5.10 118.70 113.90 2kbn s GLU 96 Ca 0.13 -2.60 -0.21 0.00 0.36 0.00 0.00 54.97 52.65 2kbn s GLU 96 Cb 0.07 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 2kbn s GLU 96 CO 0.09 -1.12 1.12 -2.30 -0.54 0.00 0.00 175.26 172.50 2kbn n PRO 97 N 3.19 1.31 -3.73 4.30 -0.02 -1.26 -4.81 135.00 133.98 2kbn n PRO 97 Ca 0.06 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.67 2kbn n PRO 97 Cb 0.33 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 2kbn n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kbn s ILE 98 N -1.37 5.32 0.40 4.25 1.01 -1.26 -5.04 121.20 124.51 2kbn s ILE 98 Ca 0.71 0.16 -0.23 0.00 0.00 0.00 0.00 60.65 61.29 2kbn s ILE 98 Cb -0.45 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 2kbn s ILE 98 CO 0.51 0.40 0.96 -1.61 0.00 0.00 0.00 174.94 175.20 2kbn s GLU 99 N 0.64 4.29 0.00 2.79 0.41 -1.26 -4.95 118.70 120.63 2kbn s GLU 99 Ca 0.07 1.22 0.24 0.00 -0.41 0.00 0.00 54.97 56.09 2kbn s GLU 99 Cb -0.12 -2.37 0.40 0.00 -1.78 0.00 0.00 34.13 30.26 2kbn s GLU 99 CO 0.01 0.02 1.39 0.28 -0.49 0.00 0.00 175.26 176.46 2kbn n VAL 100 N -0.29 0.30 -0.98 2.63 0.31 -1.26 -4.57 118.33 114.47 2kbn n VAL 100 Ca 0.06 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2kbn n VAL 100 Cb 0.52 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.53 2kbn n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbn n GLY 101 N 1.42 0.68 0.30 2.92 0.00 -1.26 -4.86 105.19 104.38 2kbn n GLY 101 Ca 0.17 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2kbn n GLY 101 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kbn h LEU 102 N 0.00 0.96 -1.26 0.99 4.07 -2.01 -3.47 115.31 114.59 2kbn h LEU 102 Ca 0.00 -0.18 -0.22 0.00 0.08 0.00 0.00 57.88 57.56 2kbn h LEU 102 Cb 0.55 -0.25 0.09 0.00 1.08 0.00 0.00 40.66 42.13 2kbn h LEU 102 CO 0.00 0.88 -0.42 1.21 -1.08 0.00 0.00 178.44 179.03 2kbn n GLU 103 N -4.37 -4.42 0.10 1.13 2.13 -1.26 -4.92 120.64 109.04 2kbn n GLU 103 Ca 0.05 0.50 0.12 0.00 0.66 0.00 0.00 57.16 58.49 2kbn n GLU 103 Cb 0.18 -4.50 0.27 0.00 0.27 0.00 0.00 31.44 27.66 2kbn n GLU 103 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2kbn h HIS 104 N -1.42 0.00 -0.66 4.31 2.07 -2.04 -3.29 115.15 114.13 2kbn h HIS 104 Ca -0.34 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.11 2kbn h HIS 104 Cb 1.21 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.17 2kbn h HIS 104 CO 0.28 0.00 0.14 1.25 -3.07 0.00 0.00 177.93 176.53 2kbn h HIS 105 N 0.00 1.12 -3.44 6.12 -0.00 -2.02 -3.42 115.15 113.51 2kbn h HIS 105 Ca 0.00 -0.14 -0.48 0.00 -0.00 0.00 0.00 60.37 59.75 2kbn h HIS 105 Cb 0.79 -0.31 -0.34 0.00 -0.00 0.00 0.00 27.41 27.55 2kbn h HIS 105 CO 0.00 0.94 -0.80 -1.58 -0.00 0.00 0.00 177.93 176.49 2kbn s HIS 106 N -5.27 1.20 -0.48 5.26 5.65 -1.24 -5.06 115.29 115.35 2kbn s HIS 106 Ca -0.12 -0.42 0.06 0.00 0.25 0.00 0.00 55.06 54.84 2kbn s HIS 106 Cb 0.14 -0.92 0.23 0.00 -1.18 0.00 0.00 32.58 30.85 2kbn s HIS 106 CO 0.84 -0.24 0.79 1.58 -0.65 0.00 0.00 174.74 177.06 2kbn n HIS 107 N 3.88 -2.92 -3.72 3.88 -0.00 -1.26 -4.92 115.22 110.15 2kbn n HIS 107 Ca -0.24 -2.00 -0.13 0.00 0.46 0.00 0.00 57.72 55.81 2kbn n HIS 107 Cb 0.51 1.23 -0.10 0.00 -0.12 0.00 0.00 29.99 31.52 2kbn n HIS 107 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kbn s HIS 108 N 0.43 -0.48 -2.20 1.57 5.65 -1.26 -5.19 115.29 113.81 2kbn s HIS 108 Ca 0.32 1.16 0.30 0.00 0.25 0.00 0.00 55.06 57.10 2kbn s HIS 108 Cb 0.18 0.17 1.57 0.00 -1.18 0.00 0.00 32.58 33.31 2kbn s HIS 108 CO -0.19 -0.23 2.04 0.72 -0.65 0.00 0.00 174.74 176.42