#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 1.16 -2.19 0.03 -0.58 -1.26 -5.11 120.64 112.68 2kbn n GLU 2 Ca 0.00 -3.50 -0.41 0.00 -0.42 0.00 0.00 57.16 52.83 2kbn n GLU 2 Cb 0.00 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.10 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 -2.47 4.39 -1.00 3.49 0.04 -1.26 -4.95 135.00 133.24 2kbn s PRO 3 Ca 0.41 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 2kbn s PRO 3 Cb 0.34 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.85 2kbn s PRO 3 CO -0.09 -0.20 1.25 -0.65 0.04 0.00 0.00 177.00 177.35 2kbn s GLN 4 N -0.75 3.70 0.24 4.56 -1.52 -1.26 -4.98 119.66 119.64 2kbn s GLN 4 Ca 0.54 -1.82 -0.30 0.00 -1.95 0.00 0.00 55.36 51.82 2kbn s GLN 4 Cb -0.37 -5.03 -0.09 0.00 -0.22 0.00 0.00 33.01 27.30 2kbn s GLN 4 CO 0.43 -1.85 1.29 -0.51 -0.25 0.00 0.00 175.29 174.41 2kbn s LEU 5 N 2.86 4.43 -0.09 2.90 2.01 -1.26 -0.91 118.68 128.63 2kbn s LEU 5 Ca 0.37 2.46 0.03 0.00 0.01 0.00 0.00 54.13 57.00 2kbn s LEU 5 Cb -0.03 -3.62 0.01 0.00 0.01 0.00 0.00 46.19 42.55 2kbn s LEU 5 CO -0.07 -0.50 -0.17 -0.89 1.01 0.00 0.00 176.35 175.73 2kbn s THR 6 N -0.28 1.57 0.48 5.49 2.01 0.35 -4.89 115.64 120.37 2kbn s THR 6 Ca 0.54 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 2kbn s THR 6 Cb -0.37 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 2kbn s THR 6 CO 0.42 0.45 0.86 -0.54 -0.69 0.00 0.00 174.62 175.12 2kbn s LYS 7 N 0.65 3.72 0.15 4.92 1.02 -1.26 -4.70 119.74 124.24 2kbn s LYS 7 Ca -0.14 0.54 -0.14 0.00 0.02 0.00 0.00 55.97 56.25 2kbn s LYS 7 Cb -0.16 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2kbn s LYS 7 CO 0.04 -0.21 1.73 0.82 -0.92 0.00 0.00 175.35 176.80 2kbn h ILE 8 N 0.59 1.19 0.00 2.17 2.04 -1.98 -1.69 117.51 119.83 2kbn h ILE 8 Ca -0.46 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 2kbn h ILE 8 Cb 1.19 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2kbn h ILE 8 CO 0.63 0.21 -0.08 1.62 0.00 0.00 0.00 178.15 180.53 2kbn h VAL 9 N 0.63 0.41 0.00 1.67 3.04 -1.94 -0.36 116.25 119.71 2kbn h VAL 9 Ca 0.16 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2kbn h VAL 9 Cb 0.13 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 2kbn h VAL 9 CO -0.02 0.08 0.00 0.47 -1.01 0.00 0.00 177.57 177.09 2kbn n ASP 10 N -3.50 0.00 -4.57 3.17 8.00 -0.65 -4.68 116.55 114.33 2kbn n ASP 10 Ca -0.02 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 2kbn n ASP 10 Cb 0.22 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kbn s ILE 11 N -2.40 3.93 0.00 0.53 1.01 -0.15 -4.71 121.20 119.41 2kbn s ILE 11 Ca 0.34 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.70 2kbn s ILE 11 Cb 0.20 -4.79 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2kbn s ILE 11 CO 0.43 -1.51 0.03 1.33 0.00 0.00 0.00 174.94 175.21 2kbn n VAL 12 N 6.56 0.00 -4.11 2.92 0.24 -1.26 -5.02 118.33 117.66 2kbn n VAL 12 Ca 0.06 -0.45 -0.16 0.00 -2.04 0.00 0.00 64.34 61.76 2kbn n VAL 12 Cb 0.49 1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.72 2kbn n VAL 12 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2kbn s GLU 13 N -0.84 0.41 0.38 7.34 -1.05 -1.26 -5.16 118.70 118.53 2kbn s GLU 13 Ca 0.00 -0.13 0.02 0.00 -0.15 0.00 0.00 54.97 54.71 2kbn s GLU 13 Cb 0.00 -0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 33.25 2kbn s GLU 13 CO 0.00 0.05 0.57 0.54 0.95 0.00 0.00 175.26 177.37 2kbn s ASN 14 N 0.13 6.04 0.00 0.83 2.20 -1.26 -4.25 114.94 118.63 2kbn s ASN 14 Ca -0.01 0.24 0.00 0.00 -0.94 0.00 0.00 52.86 52.14 2kbn s ASN 14 Cb -0.05 -1.66 0.00 0.00 -2.00 0.00 0.00 41.25 37.54 2kbn s ASN 14 CO -0.00 -0.47 0.00 0.61 -2.94 0.00 0.00 177.10 174.29 2kbn n GLY 15 N -1.86 0.84 3.78 0.45 0.00 0.94 -4.96 105.19 104.39 2kbn n GLY 15 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2kbn n GLY 15 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kbn s GLN 16 N -0.03 4.56 -0.11 1.61 -2.07 -1.26 -4.65 119.66 117.70 2kbn s GLN 16 Ca 0.00 1.29 -0.10 0.00 -1.82 0.00 0.00 55.36 54.73 2kbn s GLN 16 Cb 0.00 -2.81 -0.05 0.00 -1.09 0.00 0.00 33.01 29.07 2kbn s GLN 16 CO 0.00 0.29 0.22 -1.58 -1.32 0.00 0.00 175.29 172.90 2kbn s TRP 17 N -1.61 3.58 -0.02 9.60 0.52 -1.26 -2.50 118.94 127.25 2kbn s TRP 17 Ca 0.50 0.62 -0.27 0.00 0.02 0.00 0.00 56.10 56.96 2kbn s TRP 17 Cb -0.18 -2.10 0.09 0.00 -1.15 0.00 0.00 33.47 30.12 2kbn s TRP 17 CO 0.23 0.59 1.24 0.00 0.02 0.00 0.00 176.95 179.04 2kbn n ALA 18 N 2.37 -3.51 -2.75 0.98 0.00 -1.07 -4.97 120.51 111.56 2kbn n ALA 18 Ca -0.17 -0.77 -0.32 0.00 0.00 0.00 0.00 53.44 52.18 2kbn n ALA 18 Cb 0.54 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 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 -3.75 5.46 -0.06 0.00 0.01 -0.08 -2.65 114.94 113.87 2kbn s ASN 19 Ca 0.29 0.06 -0.04 0.00 -0.71 0.00 0.00 52.86 52.47 2kbn s ASN 19 Cb -0.01 -1.50 0.03 0.00 0.41 0.00 0.00 41.25 40.18 2kbn s ASN 19 CO -0.01 0.25 0.14 -0.22 -1.51 0.00 0.00 177.10 175.76 2kbn s LEU 20 N -1.83 1.04 -0.04 0.60 0.20 -0.67 -0.49 118.68 117.49 2kbn s LEU 20 Ca 0.23 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.40 2kbn s LEU 20 Cb -0.12 0.41 -0.02 0.00 -0.43 0.00 0.00 46.19 46.03 2kbn s LEU 20 CO 0.15 -0.11 -0.19 -0.75 -0.29 0.00 0.00 176.35 175.16 2kbn s LYS 21 N 0.70 2.36 0.38 1.98 2.20 -1.26 -0.90 119.74 125.20 2kbn s LYS 21 Ca -0.05 -0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 54.60 2kbn s LYS 21 Cb -0.07 -2.24 0.06 0.00 -1.51 0.00 0.00 37.83 34.07 2kbn s LYS 21 CO -0.03 0.58 0.81 0.00 -0.36 0.00 0.00 175.35 176.35 2kbn s ALA 22 N -0.65 -0.77 -0.02 3.13 0.00 -1.11 -5.02 121.76 117.32 2kbn s ALA 22 Ca 0.10 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2kbn s ALA 22 Cb -0.11 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2kbn s ALA 22 CO 0.00 -0.99 -0.12 0.21 0.00 0.00 0.00 175.76 174.87 2kbn s LYS 23 N -2.19 2.49 -0.13 0.00 2.20 -1.08 -2.23 119.74 118.80 2kbn s LYS 23 Ca 0.16 -0.72 -0.27 0.00 -0.36 0.00 0.00 55.97 54.78 2kbn s LYS 23 Cb -0.05 -2.42 -0.01 0.00 -1.51 0.00 0.00 37.83 33.84 2kbn s LYS 23 CO 0.11 0.61 0.91 0.08 -0.36 0.00 0.00 175.35 176.70 2kbn s VAL 24 N -0.85 4.85 -0.23 4.02 1.01 -1.10 0.29 120.40 128.38 2kbn s VAL 24 Ca 0.14 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 63.81 2kbn s VAL 24 Cb -0.11 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 2kbn s VAL 24 CO 0.03 0.03 -0.32 -0.38 0.00 0.00 0.00 175.10 174.46 2kbn n ILE 25 N 4.57 1.39 -3.78 2.22 5.41 -1.21 -1.91 119.36 126.05 2kbn n ILE 25 Ca 0.06 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.43 2kbn n ILE 25 Cb 0.49 -1.92 -0.10 0.00 -0.71 0.00 0.00 39.64 37.40 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 -2.52 0.48 -0.01 0.38 0.74 -1.25 -4.77 119.66 112.70 2kbn s GLN 26 Ca -0.33 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.16 2kbn s GLN 26 Cb 0.12 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.44 2kbn s GLN 26 CO 0.43 -0.10 -0.04 -0.48 -0.55 0.00 0.00 175.29 174.55 2kbn s LEU 27 N -0.61 1.91 -0.10 3.68 2.34 -1.26 -2.72 118.68 121.92 2kbn s LEU 27 Ca -0.07 -0.08 0.01 0.00 0.06 0.00 0.00 54.13 54.05 2kbn s LEU 27 Cb -0.04 -0.23 0.02 0.00 -0.56 0.00 0.00 46.19 45.38 2kbn s LEU 27 CO 0.02 0.04 -0.10 0.86 -1.06 0.00 0.00 176.35 176.10 2kbn s TRP 28 N 0.03 1.60 0.33 3.48 -0.00 -0.97 -5.00 118.94 118.41 2kbn s TRP 28 Ca 0.00 -0.76 -0.29 0.00 -0.00 0.00 0.00 56.10 55.05 2kbn s TRP 28 Cb -0.03 -1.25 -0.11 0.00 -0.00 0.00 0.00 33.47 32.08 2kbn s TRP 28 CO -0.00 -0.47 1.40 -1.21 -0.00 0.00 0.00 176.95 176.67 2kbn s GLU 29 N 1.34 4.25 0.72 5.86 2.02 -1.26 -1.68 118.70 129.95 2kbn s GLU 29 Ca -0.01 2.36 -0.07 0.00 0.02 0.00 0.00 54.97 57.27 2kbn s GLU 29 Cb -0.14 -3.04 0.06 0.00 0.10 0.00 0.00 34.13 31.11 2kbn s GLU 29 CO -0.05 -0.36 1.04 1.21 0.02 0.00 0.00 175.26 177.12 2kbn s ASN 30 N -0.17 4.78 0.00 -0.19 2.47 -1.00 -4.84 114.94 115.99 2kbn s ASN 30 Ca 0.53 0.50 0.21 0.00 0.42 0.00 0.00 52.86 54.53 2kbn s ASN 30 Cb -0.43 -1.14 0.31 0.00 -1.45 0.00 0.00 41.25 38.54 2kbn s ASN 30 CO 0.54 -1.63 1.29 0.35 -3.72 0.00 0.00 177.10 173.92 2kbn n THR 31 N -2.97 0.32 -4.22 -5.21 -2.24 -1.26 -4.92 114.28 93.78 2kbn n THR 31 Ca 0.08 -0.66 -0.35 0.00 -2.27 0.00 0.00 64.05 60.85 2kbn n THR 31 Cb 0.60 1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 69.89 2kbn n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2kbn s HIS 32 N -1.55 3.22 0.34 4.78 3.76 -1.26 -4.99 115.29 119.59 2kbn s HIS 32 Ca 0.32 0.15 0.09 0.00 -0.15 0.00 0.00 55.06 55.46 2kbn s HIS 32 Cb 0.20 -1.90 0.61 0.00 1.11 0.00 0.00 32.58 32.60 2kbn s HIS 32 CO 0.28 0.37 1.79 1.49 -0.85 0.00 0.00 174.74 177.82 2kbn h GLU 33 N 5.69 0.18 -0.72 1.40 4.57 -1.97 -2.90 114.58 120.83 2kbn h GLU 33 Ca -0.46 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2kbn h GLU 33 Cb 1.19 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 2kbn h GLU 33 CO 0.60 0.49 0.45 1.03 -1.18 0.00 0.00 179.01 180.40 2kbn h SER 34 N 0.16 0.85 -3.49 1.04 0.87 -1.98 -3.40 113.55 107.60 2kbn h SER 34 Ca 0.02 -0.05 -0.64 0.00 -1.23 0.00 0.00 61.79 59.90 2kbn h SER 34 Cb 0.66 -0.21 -0.20 0.00 -0.44 0.00 0.00 62.40 62.21 2kbn h SER 34 CO 0.05 0.64 -0.60 -0.63 -0.53 0.00 0.00 176.83 175.76 2kbn s ILE 35 N -6.04 4.47 -0.01 2.23 1.01 -1.09 -3.26 121.20 118.50 2kbn s ILE 35 Ca -0.13 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 2kbn s ILE 35 Cb 0.14 -3.05 -0.14 0.00 0.01 0.00 0.00 42.46 39.43 2kbn s ILE 35 CO 0.78 0.40 0.99 -1.28 0.00 0.00 0.00 174.94 175.83 2kbn h SER 36 N 7.50 -0.46 -5.03 3.58 0.87 -1.42 -3.40 113.55 115.19 2kbn h SER 36 Ca -0.37 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 2kbn h SER 36 Cb 1.18 0.12 -0.15 0.00 -0.44 0.00 0.00 62.40 63.11 2kbn h SER 36 CO 0.63 -0.04 0.06 0.00 -0.53 0.00 0.00 176.83 176.95 2kbn s GLN 37 N -4.12 1.10 -0.03 2.24 -2.07 -1.26 -2.39 119.66 113.15 2kbn s GLN 37 Ca -0.12 -0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.07 2kbn s GLN 37 Cb 0.01 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 2kbn s GLN 37 CO 0.43 -0.43 -0.09 0.14 -1.32 0.00 0.00 175.29 174.02 2kbn s VAL 38 N -3.00 0.76 0.00 3.63 -7.23 -0.68 -2.57 120.40 111.30 2kbn s VAL 38 Ca -0.02 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2kbn s VAL 38 Cb -0.00 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.26 2kbn s VAL 38 CO -0.06 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2kbn n GLY 39 N 3.30 3.05 3.04 2.32 0.00 -1.03 -2.29 105.19 113.58 2kbn n GLY 39 Ca -0.18 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 2.19 -0.07 0.99 0.05 -1.10 -1.12 118.68 119.62 2kbn s LEU 40 Ca 0.00 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 53.76 2kbn s LEU 40 Cb 0.00 -0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 43.90 2kbn s LEU 40 CO 0.00 -0.13 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.81 2kbn s LEU 41 N -1.21 2.98 0.70 1.48 1.43 0.12 -3.34 118.68 120.85 2kbn s LEU 41 Ca -0.06 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2kbn s LEU 41 Cb -0.08 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2kbn s LEU 41 CO 0.00 0.34 1.08 -0.83 0.23 0.00 0.00 176.35 177.18 2kbn s GLY 42 N -0.69 1.62 -0.28 -3.19 0.00 0.15 -2.08 107.32 102.84 2kbn s GLY 42 Ca 0.11 -0.40 -0.26 0.00 0.00 0.00 0.00 44.72 44.17 2kbn s GLY 42 CO 0.01 -0.03 1.20 -0.35 0.00 0.00 0.00 173.10 173.94 2kbn s ASP 43 N -4.37 -0.27 0.56 1.64 -1.08 0.12 -2.63 116.67 110.65 2kbn s ASP 43 Ca 0.58 0.50 0.28 0.00 -0.52 0.00 0.00 52.55 53.39 2kbn s ASP 43 Cb -0.11 0.49 1.52 0.00 -1.46 0.00 0.00 42.92 43.37 2kbn s ASP 43 CO 0.51 -0.11 1.84 -0.33 0.52 0.00 0.00 175.17 177.60 2kbn h GLU 44 N 3.56 0.00 -0.00 4.34 5.08 -1.97 0.56 114.58 126.15 2kbn h GLU 44 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 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 0.16 0.00 -0.72 0.25 -1.00 0.00 0.00 179.01 177.70 2kbn n THR 45 N -2.68 0.00 -0.46 1.13 -2.24 -1.26 -5.06 114.28 103.71 2kbn n THR 45 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2kbn n THR 45 Cb 0.28 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.49 0.43 3.31 3.38 0.00 0.19 -4.73 105.19 109.27 2kbn n GLY 46 Ca 0.05 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.62 1.71 -0.03 -0.61 -4.36 -1.26 -0.70 121.20 112.33 2kbn s ILE 47 Ca 0.00 -1.85 -0.04 0.00 -0.26 0.00 0.00 60.65 58.50 2kbn s ILE 47 Cb 0.00 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.95 2kbn s ILE 47 CO 0.00 -0.32 0.09 -0.51 0.24 0.00 0.00 174.94 174.44 2kbn s ILE 48 N -2.01 0.02 0.43 8.37 1.10 -0.89 -4.96 121.20 123.26 2kbn s ILE 48 Ca 0.14 -0.17 -0.15 0.00 -0.51 0.00 0.00 60.65 59.96 2kbn s ILE 48 Cb -0.06 -0.19 -0.08 0.00 0.15 0.00 0.00 42.46 42.28 2kbn s ILE 48 CO 0.06 -0.09 0.86 -0.54 -2.11 0.00 0.00 174.94 173.11 2kbn s LYS 49 N -0.27 3.94 0.10 3.50 1.02 -1.26 -0.70 119.74 126.07 2kbn s LYS 49 Ca -0.03 0.75 -0.09 0.00 0.02 0.00 0.00 55.97 56.62 2kbn s LYS 49 Cb -0.02 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2kbn s LYS 49 CO 0.00 -0.07 0.22 -0.59 -0.92 0.00 0.00 175.35 173.99 2kbn s PHE 50 N -2.35 0.16 -0.05 3.18 -0.71 -0.27 -2.47 117.98 115.47 2kbn s PHE 50 Ca 0.56 -0.58 -0.05 0.00 -1.04 0.00 0.00 56.93 55.82 2kbn s PHE 50 Cb -0.10 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2kbn s PHE 50 CO 0.26 -0.58 0.14 -0.08 -1.34 0.00 0.00 175.22 173.62 2kbn s THR 51 N -3.87 -0.00 -0.26 -4.49 -1.32 -1.04 -2.47 115.64 102.18 2kbn s THR 51 Ca 0.07 0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.47 2kbn s THR 51 Cb 0.04 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 2kbn s THR 51 CO -0.09 0.00 0.10 -0.63 -2.21 0.00 0.00 174.62 171.79 2kbn s ILE 52 N 0.12 4.58 -0.02 5.08 1.01 -1.06 -2.55 121.20 128.36 2kbn s ILE 52 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 2kbn s ILE 52 Cb -0.01 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 2kbn s ILE 52 CO -0.00 0.31 0.33 0.26 0.00 0.00 0.00 174.94 175.83 2kbn s TRP 53 N 1.65 3.67 -0.50 3.97 0.52 -0.95 -1.34 118.94 125.96 2kbn s TRP 53 Ca 0.06 0.82 -0.06 0.00 0.02 0.00 0.00 56.10 56.94 2kbn s TRP 53 Cb -0.15 -2.16 -0.10 0.00 -1.15 0.00 0.00 33.47 29.90 2kbn s TRP 53 CO 0.06 0.66 3.15 1.63 0.02 0.00 0.00 176.95 182.46 2kbn n LYS 54 N 1.71 2.63 0.00 4.98 5.02 -1.20 -4.45 118.16 126.85 2kbn n LYS 54 Ca -0.15 -1.83 0.10 0.00 -2.02 0.00 0.00 58.31 54.41 2kbn n LYS 54 Cb 0.53 -2.22 0.46 0.00 -0.02 0.00 0.00 35.03 33.78 2kbn n LYS 54 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kbn n ASN 55 N 2.08 0.00 0.00 4.39 4.05 -1.26 -4.74 115.26 119.77 2kbn n ASN 55 Ca 0.52 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.93 2kbn n ASN 55 Cb 0.64 -0.45 0.00 0.00 1.23 0.00 0.00 39.78 41.20 2kbn n ASN 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kbn n ALA 56 N -1.45 0.00 -3.24 5.20 0.00 -1.26 -4.69 120.51 115.07 2kbn n ALA 56 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2kbn n ALA 56 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.13 0.24 -0.32 0.00 -1.05 -1.26 -5.12 118.70 111.05 2kbn s GLU 57 Ca 0.00 0.50 -0.02 0.00 -0.15 0.00 0.00 54.97 55.30 2kbn s GLU 57 Cb 0.00 0.29 0.12 0.00 -0.44 0.00 0.00 34.13 34.10 2kbn s GLU 57 CO 0.00 -0.18 0.17 -0.51 0.95 0.00 0.00 175.26 175.69 2kbn s LEU 58 N 2.68 0.81 0.75 1.83 1.43 -1.26 -5.10 118.68 119.82 2kbn s LEU 58 Ca -0.00 -1.70 -0.16 0.00 -1.03 0.00 0.00 54.13 51.24 2kbn s LEU 58 Cb -0.08 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 2kbn s LEU 58 CO -0.14 -0.38 0.62 -2.65 0.23 0.00 0.00 176.35 174.02 2kbn n PRO 59 N 4.70 0.27 -1.91 1.29 -0.02 -1.26 -4.88 135.00 133.19 2kbn n PRO 59 Ca 0.02 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2kbn n PRO 59 Cb 0.40 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.03 4.35 0.40 2.45 1.43 -1.26 -4.98 118.68 120.05 2kbn s LEU 60 Ca 0.66 2.93 -0.20 0.00 -1.03 0.00 0.00 54.13 56.49 2kbn s LEU 60 Cb -0.33 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.12 2kbn s LEU 60 CO 0.57 -0.76 0.91 -0.76 0.23 0.00 0.00 176.35 176.55 2kbn s LEU 61 N -1.96 3.99 0.16 1.79 1.02 -1.26 -5.03 118.68 117.39 2kbn s LEU 61 Ca 0.52 1.63 -0.26 0.00 0.02 0.00 0.00 54.13 56.04 2kbn s LEU 61 Cb -0.44 -4.42 -0.08 0.00 0.02 0.00 0.00 46.19 41.27 2kbn s LEU 61 CO 0.59 -0.31 0.80 -1.61 0.02 0.00 0.00 176.35 175.85 2kbn s GLU 62 N -3.05 4.61 0.10 1.70 0.41 -1.26 -5.02 118.70 116.18 2kbn s GLU 62 Ca 0.60 1.20 -0.30 0.00 -0.41 0.00 0.00 54.97 56.06 2kbn s GLU 62 Cb -0.10 -3.28 -0.06 0.00 -1.78 0.00 0.00 34.13 28.92 2kbn s GLU 62 CO 0.15 0.53 1.05 -1.14 -0.49 0.00 0.00 175.26 175.36 2kbn s GLN 63 N -1.03 4.59 0.00 1.61 0.74 -1.26 -3.22 119.66 121.08 2kbn s GLN 63 Ca 0.37 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.37 2kbn s GLN 63 Cb -0.23 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.52 2kbn s GLN 63 CO 0.27 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 2kbn n GLY 64 N 2.51 0.63 3.61 2.59 0.00 -0.80 -5.03 105.19 108.70 2kbn n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.76 2.26 0.34 1.61 8.01 -1.20 -4.87 118.70 124.09 2kbn s GLU 65 Ca 0.00 -1.01 -0.12 0.00 0.01 0.00 0.00 54.97 53.85 2kbn s GLU 65 Cb 0.00 -2.36 -0.08 0.00 -4.31 0.00 0.00 34.13 27.38 2kbn s GLU 65 CO 0.00 0.50 0.72 -1.12 0.01 0.00 0.00 175.26 175.37 2kbn s SER 66 N -2.37 6.64 -0.01 -0.19 0.01 -1.26 -2.72 113.70 113.81 2kbn s SER 66 Ca 0.23 1.15 -0.04 0.00 1.31 0.00 0.00 55.95 58.61 2kbn s SER 66 Cb -0.11 -2.32 -0.00 0.00 0.21 0.00 0.00 66.02 63.80 2kbn s SER 66 CO 0.16 -0.26 0.07 -0.31 0.41 0.00 0.00 173.24 173.31 2kbn s TYR 67 N -2.11 0.04 -0.22 2.43 2.02 -0.95 -2.44 117.35 116.12 2kbn s TYR 67 Ca 0.52 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 57.07 2kbn s TYR 67 Cb -0.10 -0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.37 2kbn s TYR 67 CO 0.24 -0.16 0.05 -1.17 -1.57 0.00 0.00 175.55 172.94 2kbn s LEU 68 N -0.80 3.50 -0.18 -1.29 2.96 -0.91 -2.75 118.68 119.21 2kbn s LEU 68 Ca -0.09 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.61 2kbn s LEU 68 Cb -0.05 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 2kbn s LEU 68 CO 0.00 0.05 0.11 -0.76 -1.32 0.00 0.00 176.35 174.44 2kbn s LEU 69 N 1.10 4.13 0.00 -0.68 1.43 -0.08 -2.65 118.68 121.94 2kbn s LEU 69 Ca 0.04 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 2kbn s LEU 69 Cb -0.14 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2kbn s LEU 69 CO 0.03 0.21 -0.17 -0.13 0.23 0.00 0.00 176.35 176.52 2kbn s ARG 70 N 0.15 1.33 -1.13 1.70 0.52 -1.00 -1.68 118.95 118.85 2kbn s ARG 70 Ca 0.08 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.54 2kbn s ARG 70 Cb -0.11 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 2kbn s ARG 70 CO -0.01 0.35 0.87 0.43 0.02 0.00 0.00 175.30 176.97 2kbn n SER 71 N 2.46 -4.97 -4.65 0.23 7.64 -1.24 -2.65 113.62 110.45 2kbn n SER 71 Ca -0.15 -0.78 -0.23 0.00 1.01 0.00 0.00 58.87 58.71 2kbn n SER 71 Cb 0.54 -4.64 -0.07 0.00 -1.01 0.00 0.00 64.21 59.02 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 -3.44 3.16 -0.08 0.44 -7.23 -1.08 -4.06 120.40 108.11 2kbn s VAL 72 Ca 0.34 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2kbn s VAL 72 Cb -0.07 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2kbn s VAL 72 CO 0.78 -0.31 -0.21 0.54 -0.31 0.00 0.00 175.10 175.59 2kbn s VAL 73 N -2.39 2.40 -0.16 1.32 0.11 -1.13 -2.61 120.40 117.94 2kbn s VAL 73 Ca 0.33 -0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 58.16 2kbn s VAL 73 Cb -0.04 -1.92 -0.00 0.00 -1.53 0.00 0.00 36.38 32.88 2kbn s VAL 73 CO 0.20 0.56 1.09 -0.69 -3.33 0.00 0.00 175.10 172.93 2kbn s VAL 74 N -0.06 4.59 0.54 2.04 1.01 -1.04 -1.20 120.40 126.28 2kbn s VAL 74 Ca -0.05 1.90 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2kbn s VAL 74 Cb -0.14 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.06 2kbn s VAL 74 CO 0.04 -0.10 0.76 -0.83 0.00 0.00 0.00 175.10 174.97 2kbn s GLY 75 N 1.33 1.84 -0.26 4.51 0.00 0.14 -0.04 107.32 114.84 2kbn s GLY 75 Ca 0.48 -1.53 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 2kbn s GLY 75 CO 0.13 -1.22 0.06 -0.54 0.00 0.00 0.00 173.10 171.53 2kbn s GLU 76 N -4.71 3.51 -0.29 2.90 8.01 -1.26 -2.53 118.70 124.33 2kbn s GLU 76 Ca 0.58 -0.57 0.02 0.00 0.01 0.00 0.00 54.97 55.01 2kbn s GLU 76 Cb -0.09 -3.30 0.07 0.00 -4.31 0.00 0.00 34.13 26.49 2kbn s GLU 76 CO 0.38 -0.24 -0.04 -0.47 0.01 0.00 0.00 175.26 174.89 2kbn s TYR 77 N 1.58 3.39 0.00 1.61 5.04 -0.92 -4.92 117.35 123.12 2kbn s TYR 77 Ca 0.06 -2.40 0.00 0.00 -2.44 0.00 0.00 57.07 52.29 2kbn s TYR 77 Cb -0.15 -2.23 0.00 0.00 0.35 0.00 0.00 41.96 39.92 2kbn s TYR 77 CO 0.03 -0.89 0.00 0.09 -1.34 0.00 0.00 175.55 173.44 2kbn n ASN 78 N 4.43 0.00 -0.32 4.32 3.02 -1.26 0.18 115.26 125.63 2kbn n ASN 78 Ca -0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 2kbn n ASN 78 Cb 0.42 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.78 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kbn n ASP 79 N 2.63 1.40 -4.99 6.41 8.00 -1.26 -4.92 116.55 123.82 2kbn n ASP 79 Ca 0.00 -1.12 -0.19 0.00 0.71 0.00 0.00 54.79 54.20 2kbn n ASP 79 Cb 0.00 0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.54 3.05 0.08 -1.24 0.52 0.13 -5.11 118.95 113.84 2kbn s ARG 80 Ca 0.20 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2kbn s ARG 80 Cb 0.19 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 2kbn s ARG 80 CO 0.57 -0.00 0.18 -0.06 0.02 0.00 0.00 175.30 176.01 2kbn s PHE 81 N -2.21 3.40 0.06 -0.53 0.08 -1.26 -2.18 117.98 115.34 2kbn s PHE 81 Ca 0.47 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.69 2kbn s PHE 81 Cb -0.09 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2kbn s PHE 81 CO 0.31 0.56 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.81 2kbn s GLN 82 N -2.62 0.60 -0.12 0.44 0.74 -1.05 -4.12 119.66 113.53 2kbn s GLN 82 Ca 0.33 -1.09 0.00 0.00 0.05 0.00 0.00 55.36 54.65 2kbn s GLN 82 Cb -0.12 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 2kbn s GLN 82 CO 0.26 -0.06 -0.13 0.14 -0.55 0.00 0.00 175.29 174.95 2kbn s VAL 83 N -3.13 3.05 -0.13 1.34 -7.23 -1.03 0.23 120.40 113.50 2kbn s VAL 83 Ca 0.02 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 2kbn s VAL 83 Cb 0.02 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2kbn s VAL 83 CO -0.06 0.53 -0.05 -1.10 -0.31 0.00 0.00 175.10 174.11 2kbn s GLN 84 N 0.28 3.43 -0.20 4.82 -0.21 -0.34 -2.50 119.66 124.92 2kbn s GLN 84 Ca -0.10 -0.54 -0.07 0.00 0.02 0.00 0.00 55.36 54.67 2kbn s GLN 84 Cb -0.16 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 2kbn s GLN 84 CO 0.05 0.35 0.06 0.08 -2.12 0.00 0.00 175.29 173.71 2kbn s VAL 85 N 0.07 4.62 0.23 1.09 1.01 -1.06 -2.85 120.40 123.52 2kbn s VAL 85 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2kbn s VAL 85 Cb -0.14 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 2kbn s VAL 85 CO 0.03 0.42 0.29 -0.46 0.00 0.00 0.00 175.10 175.38 2kbn n ASN 86 N 3.96 -0.78 -3.59 3.32 2.04 -1.26 -2.23 115.26 116.72 2kbn n ASN 86 Ca -0.16 -2.33 -0.33 0.00 -0.44 0.00 0.00 54.58 51.32 2kbn n ASN 86 Cb 0.52 1.52 0.03 0.00 -2.53 0.00 0.00 39.78 39.33 2kbn n ASN 86 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 2kbn n LYS 87 N -0.40 0.00 0.00 -3.83 2.85 -1.26 -1.04 118.16 114.48 2kbn n LYS 87 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2kbn n LYS 87 Cb 0.40 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 2kbn n LYS 87 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kbn n ASN 88 N 3.14 0.00 -4.84 -5.58 5.15 -1.26 -4.92 115.26 106.95 2kbn n ASN 88 Ca -0.02 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 2kbn n ASN 88 Cb 0.52 -0.16 -0.01 0.00 -0.53 0.00 0.00 39.78 39.60 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2kbn s SER 89 N -0.63 6.27 0.03 1.20 0.15 -0.21 -4.78 113.70 115.73 2kbn s SER 89 Ca 0.00 1.60 -0.02 0.00 0.70 0.00 0.00 55.95 58.23 2kbn s SER 89 Cb 0.00 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 2kbn s SER 89 CO 0.00 -0.84 0.01 -0.94 1.20 0.00 0.00 173.24 172.68 2kbn s SER 90 N -3.26 0.30 -0.05 5.45 1.04 -1.08 -4.94 113.70 111.15 2kbn s SER 90 Ca 0.59 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.38 2kbn s SER 90 Cb -0.12 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.18 2kbn s SER 90 CO 0.38 -0.46 -0.11 -0.63 0.98 0.00 0.00 173.24 173.41 2kbn s ILE 91 N -2.58 1.01 -0.01 -1.02 1.01 -1.26 -2.37 121.20 115.98 2kbn s ILE 91 Ca -0.05 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.23 2kbn s ILE 91 Cb -0.02 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 2kbn s ILE 91 CO -0.05 0.32 -0.25 -1.61 0.00 0.00 0.00 174.94 173.35 2kbn s GLU 92 N 0.46 1.95 -0.18 2.79 2.02 -1.08 -4.94 118.70 119.71 2kbn s GLU 92 Ca -0.09 -0.93 -0.25 0.00 0.02 0.00 0.00 54.97 53.72 2kbn s GLU 92 Cb -0.13 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 2kbn s GLU 92 CO 0.02 0.52 0.84 0.21 0.02 0.00 0.00 175.26 176.88 2kbn s LYS 93 N -0.72 4.28 -0.10 1.61 2.20 -1.26 -2.14 119.74 123.62 2kbn s LYS 93 Ca 0.10 1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.62 2kbn s LYS 93 Cb -0.10 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 2kbn s LYS 93 CO -0.00 -0.37 0.27 -0.51 -0.36 0.00 0.00 175.35 174.37 2kbn s LEU 94 N 2.30 4.37 0.00 5.43 2.01 -1.02 -4.95 118.68 126.82 2kbn s LEU 94 Ca 0.38 0.63 0.29 0.00 0.01 0.00 0.00 54.13 55.45 2kbn s LEU 94 Cb -0.16 -2.32 1.36 0.00 0.01 0.00 0.00 46.19 45.08 2kbn s LEU 94 CO 0.11 0.29 1.92 -1.54 1.01 0.00 0.00 176.35 178.14 2kbn n SER 95 N 2.43 0.76 -4.18 2.29 3.41 -1.26 -4.29 113.62 112.77 2kbn n SER 95 Ca -0.16 -1.11 -0.40 0.00 -0.26 0.00 0.00 58.87 56.95 2kbn n SER 95 Cb 0.53 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 2kbn n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kbn s GLU 96 N -2.12 2.42 0.61 4.33 0.41 -1.26 -5.07 118.70 118.00 2kbn s GLU 96 Ca 0.39 -1.87 -0.15 0.00 -0.41 0.00 0.00 54.97 52.92 2kbn s GLU 96 Cb 0.21 -3.85 -0.03 0.00 -1.78 0.00 0.00 34.13 28.68 2kbn s GLU 96 CO 0.38 -1.17 1.06 -1.25 -0.49 0.00 0.00 175.26 173.79 2kbn s PRO 97 N 1.14 3.27 -0.24 0.39 0.04 -1.26 -4.77 135.00 133.58 2kbn s PRO 97 Ca 0.08 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 2kbn s PRO 97 Cb -0.24 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2kbn s PRO 97 CO -0.02 -0.85 0.12 0.42 0.04 0.00 0.00 177.00 176.71 2kbn s ILE 98 N -2.52 4.90 -0.15 0.56 1.01 -1.26 -5.05 121.20 118.69 2kbn s ILE 98 Ca 0.63 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 61.08 2kbn s ILE 98 Cb -0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2kbn s ILE 98 CO 0.39 0.35 0.70 -1.61 0.00 0.00 0.00 174.94 174.77 2kbn s GLU 99 N 1.19 4.30 0.00 2.79 2.02 -1.26 -4.92 118.70 122.82 2kbn s GLU 99 Ca 0.06 0.79 0.12 0.00 0.02 0.00 0.00 54.97 55.96 2kbn s GLU 99 Cb -0.14 -3.54 0.13 0.00 0.10 0.00 0.00 34.13 30.68 2kbn s GLU 99 CO 0.05 -0.18 0.95 1.33 0.02 0.00 0.00 175.26 177.43 2kbn n VAL 100 N 4.44 0.14 -3.20 2.63 0.24 -1.26 -4.68 118.33 116.65 2kbn n VAL 100 Ca 0.00 -0.57 -0.25 0.00 -2.04 0.00 0.00 64.34 61.48 2kbn n VAL 100 Cb 0.50 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.96 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 0.69 4.42 0.20 7.63 0.00 -1.26 -4.85 105.19 112.02 2kbn n GLY 101 Ca 0.08 -2.35 0.14 0.00 0.00 0.00 0.00 46.02 43.89 2kbn n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kbn n LEU 102 N 0.57 0.76 -4.66 0.99 7.94 -1.26 -4.91 117.00 116.43 2kbn n LEU 102 Ca 0.28 -0.14 -0.45 0.00 -1.11 0.00 0.00 56.01 54.58 2kbn n LEU 102 Cb 0.47 -0.13 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 2kbn n LEU 102 CO 0.31 0.14 0.97 -0.62 -1.11 0.00 0.00 177.39 177.07 2kbn n GLU 103 N -0.72 1.93 -3.38 1.96 -0.58 -1.26 -4.93 120.64 113.66 2kbn n GLU 103 Ca 0.15 0.69 -0.44 0.00 -0.42 0.00 0.00 57.16 57.13 2kbn n GLU 103 Cb 0.30 -2.32 -0.08 0.00 -0.57 0.00 0.00 31.44 28.78 2kbn n GLU 103 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2kbn s HIS 104 N -0.16 3.22 0.00 -0.32 -3.43 -1.26 -4.99 115.29 108.35 2kbn s HIS 104 Ca 0.68 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 54.17 2kbn s HIS 104 Cb -0.67 -3.03 0.00 0.00 -1.43 0.00 0.00 32.58 27.45 2kbn s HIS 104 CO 0.51 -0.76 0.02 1.58 -2.00 0.00 0.00 174.74 174.09 2kbn n HIS 105 N 5.31 0.00 -0.60 0.38 -0.00 -1.26 -4.97 115.22 114.08 2kbn n HIS 105 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2kbn n HIS 105 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2kbn n HIS 105 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kbn n HIS 106 N -0.10 0.00 -0.16 1.57 -0.00 -1.26 -4.92 115.22 110.35 2kbn n HIS 106 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 2kbn n HIS 106 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 2kbn n HIS 106 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kbn h HIS 107 N 0.00 0.67 -3.49 1.57 6.17 -2.00 -3.45 115.15 114.62 2kbn h HIS 107 Ca 0.00 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.00 2kbn h HIS 107 Cb 0.00 -0.21 -0.11 0.00 2.52 0.00 0.00 27.41 29.61 2kbn h HIS 107 CO 0.00 0.52 -0.09 -3.38 0.71 0.00 0.00 177.93 175.69 2kbn s HIS 108 N -5.76 0.04 0.00 5.26 0.00 -1.26 -5.26 115.29 108.30 2kbn s HIS 108 Ca -0.13 -0.39 0.00 0.00 -3.00 0.00 0.00 55.06 51.54 2kbn s HIS 108 Cb 0.11 0.24 0.00 0.00 -4.00 0.00 0.00 32.58 28.93 2kbn s HIS 108 CO 0.76 -0.84 0.00 1.58 -1.00 0.00 0.00 174.74 175.24