#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn s GLU 2 N 0.00 0.96 0.45 2.12 -1.05 -1.26 -5.15 118.70 114.76 2kbn s GLU 2 Ca 0.00 0.01 -0.24 0.00 -0.15 0.00 0.00 54.97 54.58 2kbn s GLU 2 Cb 0.00 0.45 -0.08 0.00 -0.44 0.00 0.00 34.13 34.06 2kbn s GLU 2 CO 0.00 -0.34 1.29 -1.25 0.95 0.00 0.00 175.26 175.91 2kbn s PRO 3 N -1.96 3.73 -0.93 -4.83 0.04 -1.26 -4.91 135.00 124.89 2kbn s PRO 3 Ca -0.04 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 2kbn s PRO 3 Cb -0.00 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2kbn s PRO 3 CO 0.01 -0.67 1.60 -0.65 0.04 0.00 0.00 177.00 177.32 2kbn s GLN 4 N -2.49 3.18 -0.02 4.56 -0.21 -1.26 -4.96 119.66 118.47 2kbn s GLN 4 Ca 0.62 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 55.09 2kbn s GLN 4 Cb -0.37 -5.07 -0.04 0.00 1.00 0.00 0.00 33.01 28.53 2kbn s GLN 4 CO 0.46 -2.57 0.75 -0.51 -2.12 0.00 0.00 175.29 171.30 2kbn s LEU 5 N 6.79 4.38 -0.08 2.90 1.43 -1.26 -2.25 118.68 130.59 2kbn s LEU 5 Ca 0.53 1.33 0.04 0.00 -1.03 0.00 0.00 54.13 55.00 2kbn s LEU 5 Cb -0.04 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.00 2kbn s LEU 5 CO -0.02 -0.07 -0.19 -0.89 0.23 0.00 0.00 176.35 175.40 2kbn s THR 6 N 0.47 1.67 0.55 5.49 2.01 -0.85 -4.95 115.64 120.03 2kbn s THR 6 Ca 0.39 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 2kbn s THR 6 Cb -0.19 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 2kbn s THR 6 CO 0.21 0.47 0.98 -0.54 -0.69 0.00 0.00 174.62 175.06 2kbn s LYS 7 N 0.38 3.80 0.16 4.92 -0.14 -1.26 -4.69 119.74 122.92 2kbn s LYS 7 Ca -0.15 0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 55.17 2kbn s LYS 7 Cb -0.16 -2.14 0.06 0.00 -1.68 0.00 0.00 37.83 33.91 2kbn s LYS 7 CO 0.06 -0.36 1.73 0.82 -0.76 0.00 0.00 175.35 176.84 2kbn h ILE 8 N 0.46 1.21 0.00 2.17 2.04 -1.95 -1.78 117.51 119.67 2kbn h ILE 8 Ca -0.46 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 2kbn h ILE 8 Cb 1.19 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2kbn h ILE 8 CO 0.62 0.25 -0.11 1.62 0.00 0.00 0.00 178.15 180.53 2kbn h VAL 9 N 0.75 0.43 0.00 1.67 3.04 -1.93 -1.44 116.25 118.77 2kbn h VAL 9 Ca 0.19 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2kbn h VAL 9 Cb 0.17 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2kbn h VAL 9 CO -0.02 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.12 2kbn n ASP 10 N -3.47 0.00 -4.67 3.17 8.00 -0.68 -4.75 116.55 114.16 2kbn n ASP 10 Ca -0.01 -0.21 -0.43 0.00 0.71 0.00 0.00 54.79 54.85 2kbn n ASP 10 Cb 0.26 -0.25 -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 -2.50 4.74 0.00 0.53 1.01 -0.54 -4.80 121.20 119.63 2kbn s ILE 11 Ca 0.29 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.88 2kbn s ILE 11 Cb 0.19 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2kbn s ILE 11 CO 0.42 -0.10 0.35 1.33 0.00 0.00 0.00 174.94 176.94 2kbn n VAL 12 N 5.04 0.00 -4.08 2.92 0.24 -1.26 -5.08 118.33 116.11 2kbn n VAL 12 Ca 0.10 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.22 2kbn n VAL 12 Cb 0.47 0.66 -0.16 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.52 0.24 7.34 2.56 -1.26 -5.14 118.70 122.96 2kbn s GLU 13 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 54.97 54.65 2kbn s GLU 13 Cb 0.00 -0.57 -0.09 0.00 2.00 0.00 0.00 34.13 35.47 2kbn s GLU 13 CO 0.00 -0.04 0.85 -0.80 -0.56 0.00 0.00 175.26 174.71 2kbn s ASN 14 N 0.62 7.37 -0.04 -1.70 0.02 -1.26 -4.68 114.94 115.27 2kbn s ASN 14 Ca -0.07 1.72 -0.03 0.00 -1.02 0.00 0.00 52.86 53.47 2kbn s ASN 14 Cb -0.10 -2.53 0.01 0.00 0.02 0.00 0.00 41.25 38.65 2kbn s ASN 14 CO -0.01 0.09 0.05 0.61 0.02 0.00 0.00 177.10 177.87 2kbn n GLY 15 N 1.13 -3.43 3.64 0.66 0.00 -0.70 -5.07 105.19 101.42 2kbn n GLY 15 Ca -0.02 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.87 0.28 -0.05 1.61 -2.07 -1.26 -4.94 119.66 112.37 2kbn s GLN 16 Ca -0.06 0.30 -0.15 0.00 -1.82 0.00 0.00 55.36 53.63 2kbn s GLN 16 Cb 0.00 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.01 2kbn s GLN 16 CO 0.17 -0.04 0.38 -1.58 -1.32 0.00 0.00 175.29 172.90 2kbn s TRP 17 N -0.03 3.65 0.00 9.60 0.52 -1.26 -2.52 118.94 128.90 2kbn s TRP 17 Ca 0.05 0.89 -0.28 0.00 0.02 0.00 0.00 56.10 56.78 2kbn s TRP 17 Cb -0.04 -2.31 0.10 0.00 -1.15 0.00 0.00 33.47 30.06 2kbn s TRP 17 CO -0.10 0.52 1.26 0.00 0.02 0.00 0.00 176.95 178.65 2kbn s ALA 18 N -0.60 -2.33 0.04 0.98 0.00 -1.05 -4.97 121.76 113.83 2kbn s ALA 18 Ca 0.22 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2kbn s ALA 18 Cb -0.16 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2kbn s ALA 18 CO 0.11 -1.12 0.04 -0.80 0.00 0.00 0.00 175.76 173.99 2kbn s ASN 19 N -3.61 5.34 -0.02 0.00 0.01 -0.96 -2.64 114.94 113.07 2kbn s ASN 19 Ca 0.26 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.39 2kbn s ASN 19 Cb 0.00 -1.42 0.02 0.00 0.41 0.00 0.00 41.25 40.27 2kbn s ASN 19 CO -0.01 0.23 0.05 -0.22 -1.51 0.00 0.00 177.10 175.64 2kbn s LEU 20 N -1.99 1.29 -0.05 0.60 2.96 -0.98 -2.00 118.68 118.50 2kbn s LEU 20 Ca 0.24 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 2kbn s LEU 20 Cb -0.12 0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 2kbn s LEU 20 CO 0.16 -0.09 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.15 2kbn s LYS 21 N 0.74 2.49 0.30 1.98 2.20 -1.26 -0.89 119.74 125.30 2kbn s LYS 21 Ca -0.06 -0.81 -0.19 0.00 -0.36 0.00 0.00 55.97 54.54 2kbn s LYS 21 Cb -0.09 -2.25 0.05 0.00 -1.51 0.00 0.00 37.83 34.03 2kbn s LYS 21 CO -0.02 0.50 0.82 0.00 -0.36 0.00 0.00 175.35 176.29 2kbn s ALA 22 N -0.44 -1.11 -0.12 3.13 0.00 -1.09 -5.02 121.76 117.10 2kbn s ALA 22 Ca 0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 2kbn s ALA 22 Cb -0.12 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2kbn s ALA 22 CO 0.01 -1.02 -0.06 0.21 0.00 0.00 0.00 175.76 174.90 2kbn s LYS 23 N -2.93 3.32 -0.04 0.00 2.20 -0.79 -2.04 119.74 119.46 2kbn s LYS 23 Ca 0.14 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 2kbn s LYS 23 Cb -0.05 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 2kbn s LYS 23 CO 0.08 0.38 1.09 0.08 -0.36 0.00 0.00 175.35 176.62 2kbn s VAL 24 N -0.03 4.53 -0.13 4.02 1.01 -1.08 0.41 120.40 129.13 2kbn s VAL 24 Ca 0.00 1.82 0.06 0.00 0.00 0.00 0.00 61.98 63.87 2kbn s VAL 24 Cb -0.13 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 2kbn s VAL 24 CO 0.03 0.05 -0.03 2.30 0.00 0.00 0.00 175.10 177.45 2kbn n ILE 25 N 4.35 0.80 -3.64 2.22 -5.35 -1.25 -2.02 119.36 114.47 2kbn n ILE 25 Ca 0.09 -0.42 -0.08 0.00 -0.27 0.00 0.00 62.75 62.08 2kbn n ILE 25 Cb 0.48 -0.82 -0.07 0.00 -1.74 0.00 0.00 39.64 37.49 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kbn s GLN 26 N -2.28 0.62 -0.02 6.28 0.74 -1.26 -4.78 119.66 118.96 2kbn s GLN 26 Ca -0.11 0.93 0.03 0.00 0.05 0.00 0.00 55.36 56.26 2kbn s GLN 26 Cb 0.04 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.35 2kbn s GLN 26 CO 0.41 -0.11 -0.10 -0.48 -0.55 0.00 0.00 175.29 174.46 2kbn s LEU 27 N 1.06 1.85 -0.17 3.68 0.05 -1.26 -2.85 118.68 121.04 2kbn s LEU 27 Ca -0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 54.13 53.90 2kbn s LEU 27 Cb -0.05 -0.60 -0.01 0.00 -2.05 0.00 0.00 46.19 43.49 2kbn s LEU 27 CO -0.12 0.09 -0.10 0.26 -0.55 0.00 0.00 176.35 175.92 2kbn s TRP 28 N 0.08 2.87 0.26 3.48 0.51 -0.67 -5.00 118.94 120.47 2kbn s TRP 28 Ca -0.02 -0.89 -0.30 0.00 -2.12 0.00 0.00 56.10 52.77 2kbn s TRP 28 Cb -0.08 -1.96 -0.10 0.00 -0.81 0.00 0.00 33.47 30.52 2kbn s TRP 28 CO 0.00 -0.43 1.48 -1.83 -0.51 0.00 0.00 176.95 175.67 2kbn s GLU 29 N 0.93 4.23 -0.13 4.98 4.04 -1.26 -2.48 118.70 129.01 2kbn s GLU 29 Ca -0.02 2.37 -0.04 0.00 0.04 0.00 0.00 54.97 57.33 2kbn s GLU 29 Cb -0.15 -3.09 -0.03 0.00 0.02 0.00 0.00 34.13 30.88 2kbn s GLU 29 CO -0.00 -0.47 0.01 1.21 -1.84 0.00 0.00 175.26 174.16 2kbn s ASN 30 N 0.38 5.27 0.00 0.83 2.47 -0.93 -4.88 114.94 118.08 2kbn s ASN 30 Ca 0.60 0.07 0.24 0.00 0.42 0.00 0.00 52.86 54.19 2kbn s ASN 30 Cb -0.43 -1.70 0.39 0.00 -1.45 0.00 0.00 41.25 38.06 2kbn s ASN 30 CO 0.45 0.28 1.38 0.35 -3.72 0.00 0.00 177.10 175.83 2kbn n THR 31 N 2.83 0.36 -3.00 -5.21 -2.24 -1.26 -4.67 114.28 101.09 2kbn n THR 31 Ca -0.18 -0.67 -0.40 0.00 -2.27 0.00 0.00 64.05 60.53 2kbn n THR 31 Cb 0.53 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 2kbn n THR 31 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2kbn s HIS 32 N -1.64 3.54 0.84 4.78 5.04 -1.26 -5.03 115.29 121.57 2kbn s HIS 32 Ca 0.36 1.26 -0.14 0.00 -1.54 0.00 0.00 55.06 55.00 2kbn s HIS 32 Cb 0.22 -2.86 0.03 0.00 0.04 0.00 0.00 32.58 30.01 2kbn s HIS 32 CO 0.31 0.01 0.65 -0.85 -2.34 0.00 0.00 174.74 172.53 2kbn n GLU 33 N 4.10 0.00 0.00 2.88 0.28 -1.26 -2.53 120.64 124.12 2kbn n GLU 33 Ca 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2kbn n GLU 33 Cb 0.51 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 31.38 2kbn n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2kbn n SER 34 N -1.53 0.00 -4.34 -1.84 3.41 -1.26 -4.91 113.62 103.16 2kbn n SER 34 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 2kbn n SER 34 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 2kbn n SER 34 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kbn s ILE 35 N -0.16 3.71 -0.10 -1.33 1.01 -1.05 -3.02 121.20 120.26 2kbn s ILE 35 Ca 0.00 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.85 2kbn s ILE 35 Cb 0.00 -2.78 -0.25 0.00 0.01 0.00 0.00 42.46 39.44 2kbn s ILE 35 CO 0.00 0.28 0.90 -1.28 0.00 0.00 0.00 174.94 174.84 2kbn h SER 36 N 8.17 0.09 -5.04 3.58 0.87 -0.83 -3.39 113.55 116.99 2kbn h SER 36 Ca -0.37 -0.88 -0.11 0.00 -1.23 0.00 0.00 61.79 59.19 2kbn h SER 36 Cb 1.15 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 62.90 2kbn h SER 36 CO 0.59 0.96 -0.37 -1.58 -0.53 0.00 0.00 176.83 175.91 2kbn s GLN 37 N -2.69 0.68 -0.02 2.24 0.74 -1.22 -2.20 119.66 117.19 2kbn s GLN 37 Ca -0.17 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.68 2kbn s GLN 37 Cb -0.01 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.39 2kbn s GLN 37 CO 0.71 -0.20 0.10 0.54 -0.55 0.00 0.00 175.29 175.89 2kbn s VAL 38 N -2.23 0.03 0.00 1.34 0.11 -1.03 -1.59 120.40 117.03 2kbn s VAL 38 Ca -0.08 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 2kbn s VAL 38 Cb -0.02 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2kbn s VAL 38 CO -0.02 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2kbn n GLY 39 N 2.52 1.56 3.06 6.54 0.00 -1.08 -1.67 105.19 116.12 2kbn n GLY 39 Ca -0.16 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 2.29 -0.15 0.99 0.05 -1.13 -2.00 118.68 118.72 2kbn s LEU 40 Ca 0.00 -0.60 -0.00 0.00 0.05 0.00 0.00 54.13 53.58 2kbn s LEU 40 Cb 0.00 -0.10 -0.01 0.00 -2.05 0.00 0.00 46.19 44.04 2kbn s LEU 40 CO 0.00 -0.26 -0.13 -0.76 -0.55 0.00 0.00 176.35 174.65 2kbn s LEU 41 N -1.75 2.61 0.66 1.48 1.43 0.02 -3.89 118.68 119.24 2kbn s LEU 41 Ca -0.08 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2kbn s LEU 41 Cb -0.08 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2kbn s LEU 41 CO -0.01 0.10 1.05 -0.83 0.23 0.00 0.00 176.35 176.90 2kbn s GLY 42 N 0.72 1.77 -0.17 -3.19 0.00 0.16 -2.38 107.32 104.24 2kbn s GLY 42 Ca -0.06 0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.49 2kbn s GLY 42 CO 0.02 0.43 1.07 -0.35 0.00 0.00 0.00 173.10 174.27 2kbn s ASP 43 N -3.61 -0.29 0.34 1.64 2.15 -0.16 -1.88 116.67 114.86 2kbn s ASP 43 Ca 0.59 0.27 0.22 0.00 0.43 0.00 0.00 52.55 54.06 2kbn s ASP 43 Cb -0.14 0.25 1.22 0.00 -0.30 0.00 0.00 42.92 43.95 2kbn s ASP 43 CO 0.50 -0.30 1.68 1.05 -0.17 0.00 0.00 175.17 177.93 2kbn h GLU 44 N 2.38 0.00 0.00 4.34 4.11 -1.93 0.21 114.58 123.69 2kbn h GLU 44 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2kbn h GLU 44 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kbn h GLU 44 CO 0.29 0.00 -0.83 0.25 0.07 0.00 0.00 179.01 178.79 2kbn n THR 45 N -2.29 0.15 -0.02 -1.06 -2.24 -1.26 -5.06 114.28 102.49 2kbn n THR 45 Ca -0.01 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2kbn n THR 45 Cb 0.06 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.41 0.72 3.16 3.38 0.00 0.73 -4.76 105.19 109.82 2kbn n GLY 46 Ca 0.03 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 2kbn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kbn s ILE 47 N -3.85 1.41 0.02 -0.61 1.01 -1.26 -0.99 121.20 116.93 2kbn s ILE 47 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.95 2kbn s ILE 47 Cb 0.00 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 2kbn s ILE 47 CO 0.00 0.40 -0.16 -0.51 0.00 0.00 0.00 174.94 174.67 2kbn s ILE 48 N -0.31 1.26 0.32 2.92 1.10 -1.00 -4.94 121.20 120.55 2kbn s ILE 48 Ca 0.04 -0.92 -0.19 0.00 -0.51 0.00 0.00 60.65 59.07 2kbn s ILE 48 Cb -0.08 -1.10 -0.09 0.00 0.15 0.00 0.00 42.46 41.34 2kbn s ILE 48 CO -0.00 0.16 0.80 -0.54 -2.11 0.00 0.00 174.94 173.25 2kbn s LYS 49 N -0.88 4.18 0.07 3.50 -0.14 -1.26 -0.80 119.74 124.41 2kbn s LYS 49 Ca 0.04 0.88 -0.06 0.00 -1.36 0.00 0.00 55.97 55.48 2kbn s LYS 49 Cb -0.07 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 2kbn s LYS 49 CO 0.01 0.20 0.10 -0.59 -0.76 0.00 0.00 175.35 174.31 2kbn s PHE 50 N -1.86 0.30 -0.06 3.18 -0.71 -0.85 -2.32 117.98 115.67 2kbn s PHE 50 Ca 0.52 -0.78 -0.07 0.00 -1.04 0.00 0.00 56.93 55.57 2kbn s PHE 50 Cb -0.13 -0.19 0.02 0.00 -1.21 0.00 0.00 43.02 41.51 2kbn s PHE 50 CO 0.18 -0.48 0.19 -0.08 -1.34 0.00 0.00 175.22 173.69 2kbn s THR 51 N -3.87 0.01 -0.26 -4.49 -1.32 -1.04 -2.63 115.64 102.04 2kbn s THR 51 Ca 0.06 -0.10 -0.07 0.00 -1.21 0.00 0.00 61.69 60.37 2kbn s THR 51 Cb 0.06 -0.30 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 2kbn s THR 51 CO -0.11 -0.05 0.06 -0.63 -2.21 0.00 0.00 174.62 171.68 2kbn s ILE 52 N -0.11 4.10 0.12 5.08 1.01 -0.62 -1.84 121.20 128.94 2kbn s ILE 52 Ca -0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 2kbn s ILE 52 Cb -0.02 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.41 2kbn s ILE 52 CO 0.01 0.28 0.69 0.26 0.00 0.00 0.00 174.94 176.18 2kbn s TRP 53 N 1.57 3.85 0.65 3.97 0.52 -1.09 -0.22 118.94 128.19 2kbn s TRP 53 Ca 0.05 1.47 0.22 0.00 0.02 0.00 0.00 56.10 57.86 2kbn s TRP 53 Cb -0.15 -2.66 1.18 0.00 -1.15 0.00 0.00 33.47 30.68 2kbn s TRP 53 CO 0.02 0.52 1.66 0.87 0.02 0.00 0.00 176.95 180.05 2kbn h LYS 54 N 4.55 0.00 -0.62 4.98 1.57 -1.88 0.25 116.57 125.42 2kbn h LYS 54 Ca -0.48 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 2kbn h LYS 54 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 2kbn h LYS 54 CO 0.65 0.00 0.18 -0.91 -0.57 0.00 0.00 179.45 178.80 2kbn h ASN 55 N 0.00 0.89 -0.37 0.86 -0.26 -1.91 -2.20 115.58 112.59 2kbn h ASN 55 Ca 0.05 -0.16 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 2kbn h ASN 55 Cb 1.16 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 38.17 2kbn h ASN 55 CO -0.00 0.84 0.18 0.00 -1.06 0.00 0.00 177.43 177.40 2kbn h ALA 56 N 1.28 1.54 -5.66 -0.83 0.00 -0.75 -3.39 119.26 111.44 2kbn h ALA 56 Ca 0.20 -0.10 -0.42 0.00 0.00 0.00 0.00 54.91 54.59 2kbn h ALA 56 Cb 0.28 -0.17 0.04 0.00 0.00 0.00 0.00 17.79 17.94 2kbn h ALA 56 CO -0.01 0.37 -0.68 0.39 0.00 0.00 0.00 179.25 179.32 2kbn n GLU 57 N -4.39 -6.05 -4.08 0.00 1.02 -0.83 -4.84 120.64 101.47 2kbn n GLU 57 Ca 0.03 0.74 -0.32 0.00 -0.02 0.00 0.00 57.16 57.59 2kbn n GLU 57 Cb 0.13 -5.66 -0.07 0.00 -0.02 0.00 0.00 31.44 25.82 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 -7.09 3.88 0.85 -4.62 1.43 -1.26 -5.11 118.68 106.76 2kbn s LEU 58 Ca 0.54 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 2kbn s LEU 58 Cb -0.25 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 43.70 2kbn s LEU 58 CO 0.66 0.24 1.10 -2.16 0.23 0.00 0.00 176.35 176.41 2kbn s PRO 59 N -1.97 1.64 0.59 1.29 0.04 -1.26 -4.99 135.00 130.35 2kbn s PRO 59 Ca 0.25 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.19 2kbn s PRO 59 Cb -0.12 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2kbn s PRO 59 CO 0.17 -2.05 1.22 -0.51 0.04 0.00 0.00 177.00 175.87 2kbn s LEU 60 N -6.16 3.67 0.06 -3.56 1.43 -1.26 -4.99 118.68 107.88 2kbn s LEU 60 Ca 0.63 2.42 -0.21 0.00 -1.03 0.00 0.00 54.13 55.94 2kbn s LEU 60 Cb -0.18 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.39 2kbn s LEU 60 CO 0.57 -1.61 0.61 -0.76 0.23 0.00 0.00 176.35 175.39 2kbn s LEU 61 N -4.05 4.51 0.28 1.79 1.02 -1.26 -5.03 118.68 115.93 2kbn s LEU 61 Ca 0.77 1.30 -0.29 0.00 0.02 0.00 0.00 54.13 55.93 2kbn s LEU 61 Cb -0.31 -2.97 -0.10 0.00 0.02 0.00 0.00 46.19 42.82 2kbn s LEU 61 CO 0.34 0.21 1.37 -0.70 0.02 0.00 0.00 176.35 177.59 2kbn s GLU 62 N -0.82 4.31 0.19 1.70 2.56 -1.26 -4.96 118.70 120.42 2kbn s GLU 62 Ca 0.31 2.24 -0.30 0.00 0.00 0.00 0.00 54.97 57.22 2kbn s GLU 62 Cb -0.20 -3.10 -0.08 0.00 2.00 0.00 0.00 34.13 32.75 2kbn s GLU 62 CO 0.20 -0.31 1.18 -1.14 -0.56 0.00 0.00 175.26 174.63 2kbn s GLN 63 N -0.94 4.52 0.00 4.30 0.74 -1.26 -3.40 119.66 123.62 2kbn s GLN 63 Ca 0.55 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.81 2kbn s GLN 63 Cb -0.40 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.47 2kbn s GLN 63 CO 0.47 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 2kbn n GLY 64 N 2.06 0.68 3.02 2.59 0.00 -0.85 -5.05 105.19 107.63 2kbn n GLY 64 Ca 0.04 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.39 0.46 0.48 1.61 0.41 -1.22 -4.96 118.70 112.10 2kbn s GLU 65 Ca 0.00 -0.54 -0.19 0.00 -0.41 0.00 0.00 54.97 53.83 2kbn s GLU 65 Cb 0.00 -0.29 -0.09 0.00 -1.78 0.00 0.00 34.13 31.97 2kbn s GLU 65 CO 0.00 0.06 0.98 -1.54 -0.49 0.00 0.00 175.26 174.27 2kbn s SER 66 N -1.06 6.66 -0.01 -0.19 1.04 -1.26 -2.65 113.70 116.23 2kbn s SER 66 Ca -0.06 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 57.98 2kbn s SER 66 Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2kbn s SER 66 CO 0.00 -0.56 0.14 -0.31 0.98 0.00 0.00 173.24 173.49 2kbn s TYR 67 N -2.35 -0.00 -0.22 5.02 2.02 -0.87 -2.61 117.35 118.34 2kbn s TYR 67 Ca 0.61 -0.02 -0.04 0.00 -0.37 0.00 0.00 57.07 57.26 2kbn s TYR 67 Cb -0.11 -0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.41 2kbn s TYR 67 CO 0.23 -0.24 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.76 2kbn s LEU 68 N -1.04 2.95 -0.12 -1.29 2.96 -0.62 -2.69 118.68 118.83 2kbn s LEU 68 Ca -0.11 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 2kbn s LEU 68 Cb -0.06 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 2kbn s LEU 68 CO 0.01 -0.00 0.25 -0.76 -1.32 0.00 0.00 176.35 174.52 2kbn s LEU 69 N 1.39 4.33 -0.02 -0.68 1.43 -0.07 -2.56 118.68 122.50 2kbn s LEU 69 Ca 0.05 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 2kbn s LEU 69 Cb -0.14 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2kbn s LEU 69 CO -0.02 0.24 -0.15 -0.13 0.23 0.00 0.00 176.35 176.52 2kbn s ARG 70 N -0.28 1.30 -1.04 1.70 0.52 -0.82 -2.32 118.95 118.01 2kbn s ARG 70 Ca 0.16 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 2kbn s ARG 70 Cb -0.13 -1.23 -0.05 0.00 0.52 0.00 0.00 34.95 34.06 2kbn s ARG 70 CO 0.05 0.30 0.86 0.43 0.02 0.00 0.00 175.30 176.96 2kbn n SER 71 N 2.82 -6.41 -4.57 0.23 7.64 -1.25 -2.51 113.62 109.57 2kbn n SER 71 Ca -0.15 -0.73 -0.24 0.00 1.01 0.00 0.00 58.87 58.76 2kbn n SER 71 Cb 0.54 -4.71 -0.08 0.00 -1.01 0.00 0.00 64.21 58.95 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 -3.36 3.03 -0.09 0.44 -7.23 -1.08 -4.16 120.40 107.95 2kbn s VAL 72 Ca 0.41 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2kbn s VAL 72 Cb -0.08 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2kbn s VAL 72 CO 0.77 -0.37 -0.15 0.54 -0.31 0.00 0.00 175.10 175.58 2kbn s VAL 73 N -2.37 2.93 -0.38 1.32 0.11 -1.19 -2.54 120.40 118.28 2kbn s VAL 73 Ca 0.30 -0.74 -0.23 0.00 -2.93 0.00 0.00 61.98 58.39 2kbn s VAL 73 Cb -0.06 -2.18 0.01 0.00 -1.53 0.00 0.00 36.38 32.62 2kbn s VAL 73 CO 0.18 0.56 0.75 -0.69 -3.33 0.00 0.00 175.10 172.57 2kbn s VAL 74 N -0.15 4.75 0.50 2.04 1.01 -1.05 -1.19 120.40 126.31 2kbn s VAL 74 Ca -0.01 0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.77 2kbn s VAL 74 Cb -0.14 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.08 2kbn s VAL 74 CO 0.03 -0.47 0.68 -0.83 0.00 0.00 0.00 175.10 174.52 2kbn s GLY 75 N 1.89 1.86 -0.19 4.51 0.00 -0.45 -1.72 107.32 113.22 2kbn s GLY 75 Ca 0.30 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.24 2kbn s GLY 75 CO 0.18 -1.46 -0.07 1.85 0.00 0.00 0.00 173.10 173.59 2kbn s GLU 76 N -4.54 3.37 -0.05 2.90 2.12 -1.26 -2.22 118.70 119.02 2kbn s GLU 76 Ca 0.58 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2kbn s GLU 76 Cb -0.09 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.44 2kbn s GLU 76 CO 0.36 -0.08 -0.02 -0.47 -0.54 0.00 0.00 175.26 174.51 2kbn s TYR 77 N 1.15 0.60 -1.36 5.30 5.04 -0.47 -4.83 117.35 122.79 2kbn s TYR 77 Ca 0.02 -0.13 -0.07 0.00 -2.44 0.00 0.00 57.07 54.45 2kbn s TYR 77 Cb -0.14 -0.64 0.03 0.00 0.35 0.00 0.00 41.96 41.56 2kbn s TYR 77 CO -0.02 -0.22 1.00 -1.71 -1.34 0.00 0.00 175.55 173.27 2kbn n ASN 78 N 4.42 -4.06 -2.31 4.32 2.85 -1.26 -0.99 115.26 118.23 2kbn n ASN 78 Ca -0.20 -0.67 -0.16 0.00 -0.11 0.00 0.00 54.58 53.44 2kbn n ASN 78 Cb 0.50 -4.57 -0.01 0.00 1.24 0.00 0.00 39.78 36.94 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kbn n ASP 79 N -3.00 -4.66 -4.19 1.20 8.00 -1.26 -4.94 116.55 107.69 2kbn n ASP 79 Ca -0.11 0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 2kbn n ASP 79 Cb 0.60 -3.95 -0.11 0.00 -0.02 0.00 0.00 41.12 37.63 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kbn s ARG 80 N -4.84 0.88 0.21 -1.24 3.52 -0.16 -5.14 118.95 112.17 2kbn s ARG 80 Ca 0.00 -1.07 -0.22 0.00 -0.13 0.00 0.00 55.73 54.31 2kbn s ARG 80 Cb 0.00 -0.79 -0.08 0.00 -1.56 0.00 0.00 34.95 32.52 2kbn s ARG 80 CO 0.00 0.16 0.76 -0.06 -0.81 0.00 0.00 175.30 175.35 2kbn s PHE 81 N -1.72 3.76 0.19 5.12 0.08 -1.26 -1.36 117.98 122.79 2kbn s PHE 81 Ca 0.02 1.52 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 2kbn s PHE 81 Cb -0.07 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.69 2kbn s PHE 81 CO 0.02 0.40 0.46 1.14 -0.10 0.00 0.00 175.22 177.14 2kbn s GLN 82 N -1.64 1.34 -0.14 0.44 -2.07 -0.94 -4.46 119.66 112.18 2kbn s GLN 82 Ca 0.40 -0.98 -0.03 0.00 -1.82 0.00 0.00 55.36 52.94 2kbn s GLN 82 Cb -0.19 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 2kbn s GLN 82 CO 0.23 -0.55 -0.04 0.14 -1.32 0.00 0.00 175.29 173.75 2kbn s VAL 83 N -3.91 3.90 -0.20 3.63 -7.23 -0.98 -1.34 120.40 114.27 2kbn s VAL 83 Ca 0.12 -0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 2kbn s VAL 83 Cb 0.00 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 2kbn s VAL 83 CO -0.01 0.52 -0.08 -1.10 -0.31 0.00 0.00 175.10 174.12 2kbn s GLN 84 N 0.07 3.33 -0.12 4.82 -0.21 -0.33 -2.50 119.66 124.72 2kbn s GLN 84 Ca -0.00 -0.66 -0.19 0.00 0.02 0.00 0.00 55.36 54.53 2kbn s GLN 84 Cb -0.13 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 2kbn s GLN 84 CO 0.03 -0.12 0.51 0.08 -2.12 0.00 0.00 175.29 173.66 2kbn s VAL 85 N 1.24 5.16 0.27 1.09 1.01 -0.77 -3.16 120.40 125.25 2kbn s VAL 85 Ca 0.03 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.08 2kbn s VAL 85 Cb -0.14 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2kbn s VAL 85 CO -0.03 0.30 0.24 0.59 0.00 0.00 0.00 175.10 176.21 2kbn n ASN 86 N 3.78 -0.62 -4.12 3.32 3.02 -1.26 -2.67 115.26 116.71 2kbn n ASN 86 Ca -0.06 -2.73 -0.36 0.00 -0.03 0.00 0.00 54.58 51.40 2kbn n ASN 86 Cb 0.51 1.41 0.07 0.00 -0.61 0.00 0.00 39.78 41.17 2kbn n ASN 86 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2kbn n LYS 87 N -0.50 -0.33 0.00 3.52 2.85 -1.26 -1.54 118.16 120.90 2kbn n LYS 87 Ca 0.06 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2kbn n LYS 87 Cb 0.48 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 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 1.75 0.00 -4.77 -5.58 5.15 -1.26 -4.93 115.26 105.62 2kbn n ASN 88 Ca -0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2kbn n ASN 88 Cb 0.63 -0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.89 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2kbn s SER 89 N -0.02 5.62 0.04 1.20 0.01 -0.59 -4.85 113.70 115.11 2kbn s SER 89 Ca 0.00 2.15 0.04 0.00 1.31 0.00 0.00 55.95 59.45 2kbn s SER 89 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2kbn s SER 89 CO 0.00 -1.29 -0.11 -0.55 0.41 0.00 0.00 173.24 171.70 2kbn s SER 90 N -1.89 1.30 -0.06 2.44 0.15 -1.04 -4.96 113.70 109.63 2kbn s SER 90 Ca 0.72 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.96 2kbn s SER 90 Cb -0.23 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2kbn s SER 90 CO 0.29 -0.04 -0.16 -0.63 1.20 0.00 0.00 173.24 173.90 2kbn s ILE 91 N -0.94 1.41 -0.07 6.45 1.01 -1.26 -1.95 121.20 125.85 2kbn s ILE 91 Ca -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2kbn s ILE 91 Cb -0.08 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.16 2kbn s ILE 91 CO 0.01 0.41 -0.16 -0.70 0.00 0.00 0.00 174.94 174.50 2kbn s GLU 92 N 0.32 2.12 0.04 2.79 2.12 -1.06 -4.95 118.70 120.08 2kbn s GLU 92 Ca -0.10 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2kbn s GLU 92 Cb -0.14 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 2kbn s GLU 92 CO 0.04 0.09 1.01 0.21 -0.54 0.00 0.00 175.26 176.06 2kbn s LYS 93 N 0.53 4.57 -0.09 4.30 2.20 -1.26 -1.59 119.74 128.40 2kbn s LYS 93 Ca -0.15 1.48 -0.00 0.00 -0.36 0.00 0.00 55.97 56.94 2kbn s LYS 93 Cb -0.16 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2kbn s LYS 93 CO 0.05 -0.01 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.46 2kbn s LEU 94 N 0.75 3.18 -0.02 5.43 1.43 -1.07 -4.98 118.68 123.39 2kbn s LEU 94 Ca 0.52 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2kbn s LEU 94 Cb -0.23 -1.71 0.20 0.00 0.03 0.00 0.00 46.19 44.48 2kbn s LEU 94 CO 0.29 0.32 1.05 -1.54 0.23 0.00 0.00 176.35 176.69 2kbn n SER 95 N 2.54 1.55 -4.00 2.29 3.41 -1.26 -4.11 113.62 114.04 2kbn n SER 95 Ca -0.18 -2.09 -0.32 0.00 -0.26 0.00 0.00 58.87 56.02 2kbn n SER 95 Cb 0.53 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.64 2.16 0.62 4.33 2.02 -1.26 -5.08 118.70 119.84 2kbn s GLU 96 Ca 0.15 -2.56 -0.18 0.00 0.02 0.00 0.00 54.97 52.40 2kbn s GLU 96 Cb 0.09 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 2kbn s GLU 96 CO 0.08 -1.12 1.03 -2.30 0.02 0.00 0.00 175.26 172.96 2kbn n PRO 97 N 3.29 0.90 0.00 0.39 -0.02 -1.26 -4.84 135.00 133.47 2kbn n PRO 97 Ca 0.06 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2kbn n PRO 97 Cb 0.34 -2.24 0.72 0.00 -0.02 0.00 0.00 33.50 32.30 2kbn n PRO 97 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kbn n ILE 98 N -1.84 0.00 -3.94 4.25 2.08 -1.26 -4.89 119.36 113.75 2kbn n ILE 98 Ca 0.14 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 63.06 2kbn n ILE 98 Cb 0.48 -0.62 0.02 0.00 -0.75 0.00 0.00 39.64 38.77 2kbn n ILE 98 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2kbn n GLU 99 N -1.00 -0.65 -0.01 0.38 4.07 -1.26 -4.86 120.64 117.32 2kbn n GLU 99 Ca 0.18 0.28 0.09 0.00 -0.06 0.00 0.00 57.16 57.66 2kbn n GLU 99 Cb 0.08 -2.79 -0.14 0.00 -0.06 0.00 0.00 31.44 28.54 2kbn n GLU 99 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2kbn n VAL 100 N -4.42 0.00 -3.09 6.31 3.14 -1.26 -4.87 118.33 114.14 2kbn n VAL 100 Ca -0.14 -0.33 -0.42 0.00 -2.96 0.00 0.00 64.34 60.48 2kbn n VAL 100 Cb 0.59 0.32 -0.06 0.00 -1.06 0.00 0.00 33.84 33.63 2kbn n VAL 100 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2kbn s GLY 101 N -3.80 1.72 0.00 7.55 0.00 -1.26 -4.89 107.32 106.64 2kbn s GLY 101 Ca -0.03 -0.92 0.29 0.00 0.00 0.00 0.00 44.72 44.05 2kbn s GLY 101 CO 0.79 1.53 1.82 1.04 0.00 0.00 0.00 173.10 178.28 2kbn n LEU 102 N 6.16 0.74 -4.77 0.66 4.32 -1.26 -4.89 117.00 117.96 2kbn n LEU 102 Ca -0.01 -0.15 -0.39 0.00 -0.02 0.00 0.00 56.01 55.44 2kbn n LEU 102 Cb 0.48 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2kbn n LEU 102 CO 0.51 0.13 0.98 -1.61 -1.22 0.00 0.00 177.39 176.18 2kbn s GLU 103 N -2.32 3.85 0.00 3.23 2.02 -1.26 -4.89 118.70 119.32 2kbn s GLU 103 Ca 0.32 2.19 0.28 0.00 0.02 0.00 0.00 54.97 57.78 2kbn s GLU 103 Cb 0.20 -2.69 1.05 0.00 0.10 0.00 0.00 34.13 32.79 2kbn s GLU 103 CO 0.44 -0.60 1.76 0.72 0.02 0.00 0.00 175.26 177.59 2kbn n HIS 104 N -0.04 0.00 0.00 1.61 8.25 -1.26 -4.98 115.22 118.80 2kbn n HIS 104 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2kbn n HIS 104 Cb 0.44 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2kbn n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kbn n HIS 105 N -1.05 0.00 -3.62 4.41 -0.00 -1.26 -4.66 115.22 109.03 2kbn n HIS 105 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.69 2kbn n HIS 105 Cb 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.22 2kbn n HIS 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kbn s HIS 106 N 0.00 -0.74 -0.09 4.41 2.46 -1.26 -5.16 115.29 114.91 2kbn s HIS 106 Ca 0.00 1.74 -0.01 0.00 0.47 0.00 0.00 55.06 57.25 2kbn s HIS 106 Cb 0.00 0.28 -0.03 0.00 -0.13 0.00 0.00 32.58 32.70 2kbn s HIS 106 CO 0.00 -0.41 -0.03 -1.01 -2.47 0.00 0.00 174.74 170.82 2kbn s HIS 107 N 0.11 3.04 0.30 3.88 3.76 -1.26 -5.10 115.29 120.02 2kbn s HIS 107 Ca -0.02 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.65 2kbn s HIS 107 Cb -0.04 -1.79 -0.09 0.00 1.11 0.00 0.00 32.58 31.77 2kbn s HIS 107 CO 0.02 0.32 1.01 -3.38 -0.85 0.00 0.00 174.74 171.87 2kbn s HIS 108 N -0.63 3.67 -2.00 1.40 -3.43 -1.26 -5.33 115.29 107.72 2kbn s HIS 108 Ca 0.10 1.77 0.29 0.00 -0.80 0.00 0.00 55.06 56.42 2kbn s HIS 108 Cb -0.12 -3.09 1.74 0.00 -1.43 0.00 0.00 32.58 29.68 2kbn s HIS 108 CO 0.02 -0.10 2.07 0.72 -2.00 0.00 0.00 174.74 175.46