#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 -3.72 -2.18 0.03 4.71 -1.26 -4.86 120.64 113.36 2kbn n GLU 2 Ca 0.00 2.88 -0.35 0.00 -0.01 0.00 0.00 57.16 59.69 2kbn n GLU 2 Cb 0.00 -3.65 0.01 0.00 -1.01 0.00 0.00 31.44 26.79 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2kbn s PRO 3 N -5.17 3.28 -1.21 3.49 0.04 -1.26 -4.95 135.00 129.23 2kbn s PRO 3 Ca 0.00 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 2kbn s PRO 3 Cb 0.00 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.68 2kbn s PRO 3 CO 0.00 -0.90 1.49 -1.14 0.04 0.00 0.00 177.00 176.49 2kbn s GLN 4 N -3.44 4.02 0.41 4.56 0.74 -1.26 -4.99 119.66 119.70 2kbn s GLN 4 Ca 0.71 -2.35 -0.23 0.00 0.05 0.00 0.00 55.36 53.54 2kbn s GLN 4 Cb -0.23 -5.18 -0.09 0.00 1.10 0.00 0.00 33.01 28.62 2kbn s GLN 4 CO 0.29 -1.90 1.03 -0.51 -0.55 0.00 0.00 175.29 173.65 2kbn s LEU 5 N 2.38 4.10 -0.08 3.68 1.43 -1.26 -2.04 118.68 126.88 2kbn s LEU 5 Ca 0.45 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 2kbn s LEU 5 Cb -0.01 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.95 2kbn s LEU 5 CO 0.01 -0.48 -0.20 -0.89 0.23 0.00 0.00 176.35 175.03 2kbn s THR 6 N -1.75 1.71 0.53 5.49 2.01 -0.77 -4.88 115.64 117.98 2kbn s THR 6 Ca 0.59 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 2kbn s THR 6 Cb -0.19 -1.49 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 2kbn s THR 6 CO 0.25 0.48 1.00 -0.54 -0.69 0.00 0.00 174.62 175.11 2kbn s LYS 7 N 0.43 3.85 0.16 4.92 1.02 -1.26 -4.68 119.74 124.19 2kbn s LYS 7 Ca -0.16 0.95 -0.13 0.00 0.02 0.00 0.00 55.97 56.64 2kbn s LYS 7 Cb -0.17 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 35.07 2kbn s LYS 7 CO 0.07 -0.35 1.71 0.82 -0.92 0.00 0.00 175.35 176.67 2kbn h ILE 8 N 0.72 1.22 0.00 2.17 5.03 -1.95 -1.84 117.51 122.87 2kbn h ILE 8 Ca -0.46 -0.71 -0.00 0.00 -0.12 0.00 0.00 64.86 63.56 2kbn h ILE 8 Cb 1.19 0.69 -0.00 0.00 -3.03 0.00 0.00 36.82 35.66 2kbn h ILE 8 CO 0.61 0.27 -0.02 1.62 -0.68 0.00 0.00 178.15 179.95 2kbn h VAL 9 N 0.73 0.08 -0.00 1.67 3.04 -1.94 -1.05 116.25 118.78 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 0.22 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2kbn h VAL 9 CO -0.01 0.02 -0.02 0.47 -1.01 0.00 0.00 177.57 177.02 2kbn n ASP 10 N -3.15 0.37 -4.58 3.17 8.00 -0.70 -4.73 116.55 114.92 2kbn n ASP 10 Ca -0.01 -0.94 -0.43 0.00 0.71 0.00 0.00 54.79 54.13 2kbn n ASP 10 Cb 0.24 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.14 4.47 0.00 0.53 1.01 -0.40 -4.72 121.20 119.95 2kbn s ILE 11 Ca 0.41 0.99 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2kbn s ILE 11 Cb 0.21 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2kbn s ILE 11 CO 0.39 -0.75 0.56 1.33 0.00 0.00 0.00 174.94 176.47 2kbn n VAL 12 N 6.32 0.00 -4.18 2.92 0.24 -1.26 -5.01 118.33 117.36 2kbn n VAL 12 Ca 0.07 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.22 2kbn n VAL 12 Cb 0.48 0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.88 2kbn n VAL 12 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kbn s GLU 13 N 0.00 0.57 -0.03 7.34 2.02 -1.26 -5.14 118.70 122.20 2kbn s GLU 13 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 2kbn s GLU 13 Cb 0.00 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.69 2kbn s GLU 13 CO 0.00 0.12 0.42 0.54 0.02 0.00 0.00 175.26 176.35 2kbn s ASN 14 N -0.79 6.77 0.00 -0.19 4.22 -1.26 -3.98 114.94 119.71 2kbn s ASN 14 Ca -0.02 0.92 0.00 0.00 -2.14 0.00 0.00 52.86 51.62 2kbn s ASN 14 Cb -0.06 -2.25 0.00 0.00 1.28 0.00 0.00 41.25 40.22 2kbn s ASN 14 CO 0.00 0.26 0.00 0.61 -2.04 0.00 0.00 177.10 175.93 2kbn n GLY 15 N 2.15 0.41 3.73 0.45 0.00 0.65 -5.00 105.19 107.58 2kbn n GLY 15 Ca -0.13 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.74 4.48 -0.16 1.61 0.74 -1.25 -4.71 119.66 118.64 2kbn s GLN 16 Ca 0.00 1.84 -0.05 0.00 0.05 0.00 0.00 55.36 57.20 2kbn s GLN 16 Cb 0.00 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 2kbn s GLN 16 CO 0.00 -0.12 0.00 -1.58 -0.55 0.00 0.00 175.29 173.04 2kbn s TRP 17 N 0.23 3.13 -0.42 1.67 0.52 -1.26 -1.64 118.94 121.17 2kbn s TRP 17 Ca 0.54 -0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.55 2kbn s TRP 17 Cb -0.32 -1.99 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 2kbn s TRP 17 CO 0.34 0.09 0.00 0.00 0.02 0.00 0.00 176.95 177.40 2kbn n ALA 18 N 3.40 0.00 -2.89 0.98 0.00 -1.08 -4.97 120.51 115.94 2kbn n ALA 18 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 2kbn n ALA 18 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.58 6.36 -0.10 0.00 0.01 -0.86 -2.42 114.94 115.35 2kbn s ASN 19 Ca 0.00 0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 52.39 2kbn s ASN 19 Cb 0.00 -1.95 0.04 0.00 0.41 0.00 0.00 41.25 39.74 2kbn s ASN 19 CO 0.00 0.08 0.03 -0.22 -1.51 0.00 0.00 177.10 175.48 2kbn s LEU 20 N -2.93 0.57 -0.08 0.60 1.98 -0.13 -1.85 118.68 116.84 2kbn s LEU 20 Ca 0.36 -0.24 0.03 0.00 -2.89 0.00 0.00 54.13 51.39 2kbn s LEU 20 Cb -0.12 -0.38 -0.02 0.00 0.66 0.00 0.00 46.19 46.33 2kbn s LEU 20 CO 0.28 -0.24 -0.17 -0.75 -1.89 0.00 0.00 176.35 173.58 2kbn s LYS 21 N 2.01 2.83 0.19 1.98 2.20 -1.26 -0.88 119.74 126.80 2kbn s LYS 21 Ca 0.04 -0.75 -0.23 0.00 -0.36 0.00 0.00 55.97 54.67 2kbn s LYS 21 Cb -0.13 -2.41 0.07 0.00 -1.51 0.00 0.00 37.83 33.84 2kbn s LYS 21 CO -0.06 0.42 1.00 0.00 -0.36 0.00 0.00 175.35 176.35 2kbn s ALA 22 N -0.21 -1.56 -0.07 3.13 0.00 -1.12 -5.03 121.76 116.91 2kbn s ALA 22 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 2kbn s ALA 22 Cb -0.13 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2kbn s ALA 22 CO 0.03 -1.05 0.09 0.21 0.00 0.00 0.00 175.76 175.04 2kbn s LYS 23 N -2.57 3.20 -0.06 0.00 2.20 -1.05 -2.34 119.74 119.11 2kbn s LYS 23 Ca 0.18 -0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 55.18 2kbn s LYS 23 Cb -0.02 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2kbn s LYS 23 CO 0.05 0.71 0.89 0.08 -0.36 0.00 0.00 175.35 176.71 2kbn s VAL 24 N -1.06 4.90 -0.17 4.02 1.01 -1.09 0.39 120.40 128.39 2kbn s VAL 24 Ca 0.18 1.82 -0.17 0.00 0.00 0.00 0.00 61.98 63.81 2kbn s VAL 24 Cb -0.12 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 2kbn s VAL 24 CO 0.08 0.14 -0.32 -0.38 0.00 0.00 0.00 175.10 174.61 2kbn n ILE 25 N 4.12 1.49 -3.81 2.22 5.41 -1.18 -2.53 119.36 125.08 2kbn n ILE 25 Ca 0.04 0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.82 2kbn n ILE 25 Cb 0.50 -2.35 -0.10 0.00 -0.71 0.00 0.00 39.64 36.98 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 -2.81 0.50 0.12 0.38 0.74 -1.25 -4.76 119.66 112.57 2kbn s GLN 26 Ca -0.27 -0.16 0.08 0.00 0.05 0.00 0.00 55.36 55.06 2kbn s GLN 26 Cb 0.04 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 2kbn s GLN 26 CO 0.40 -0.12 -0.20 -0.48 -0.55 0.00 0.00 175.29 174.34 2kbn s LEU 27 N -1.02 2.33 -0.28 3.68 2.34 -1.26 -2.76 118.68 121.71 2kbn s LEU 27 Ca -0.11 -0.73 0.02 0.00 0.06 0.00 0.00 54.13 53.37 2kbn s LEU 27 Cb -0.05 -0.86 0.08 0.00 -0.56 0.00 0.00 46.19 44.80 2kbn s LEU 27 CO 0.02 0.03 -0.00 0.26 -1.06 0.00 0.00 176.35 175.60 2kbn s TRP 28 N -1.38 2.80 0.37 3.48 0.52 0.10 -4.97 118.94 119.86 2kbn s TRP 28 Ca 0.08 -2.20 -0.28 0.00 0.02 0.00 0.00 56.10 53.72 2kbn s TRP 28 Cb -0.09 -2.05 -0.11 0.00 -1.15 0.00 0.00 33.47 30.07 2kbn s TRP 28 CO 0.05 -0.86 1.49 0.39 0.02 0.00 0.00 176.95 178.04 2kbn n GLU 29 N 4.54 2.64 -3.36 4.98 4.71 -1.26 -2.39 120.64 130.50 2kbn n GLU 29 Ca -0.06 0.93 -0.12 0.00 -0.01 0.00 0.00 57.16 57.90 2kbn n GLU 29 Cb 0.43 -2.66 -0.08 0.00 -1.01 0.00 0.00 31.44 28.12 2kbn n GLU 29 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2kbn s ASN 30 N -0.08 0.74 -0.39 1.62 2.47 -0.88 -4.91 114.94 113.51 2kbn s ASN 30 Ca 0.54 -0.23 -0.04 0.00 0.42 0.00 0.00 52.86 53.55 2kbn s ASN 30 Cb -0.48 0.89 0.01 0.00 -1.45 0.00 0.00 41.25 40.22 2kbn s ASN 30 CO 0.62 -0.34 2.89 0.41 -3.72 0.00 0.00 177.10 176.97 2kbn n THR 31 N 5.34 3.27 0.56 -5.21 -1.04 -1.26 -3.89 114.28 112.06 2kbn n THR 31 Ca -0.02 -2.76 -0.04 0.00 -2.04 0.00 0.00 64.05 59.19 2kbn n THR 31 Cb 0.49 -1.65 0.04 0.00 -1.82 0.00 0.00 70.33 67.39 2kbn n THR 31 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2kbn n HIS 32 N 1.11 0.58 0.00 -1.42 -0.00 -1.11 -4.89 115.22 109.49 2kbn n HIS 32 Ca 0.48 -0.67 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2kbn n HIS 32 Cb 0.61 -0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2kbn n HIS 32 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2kbn n GLU 33 N 0.16 0.00 -0.12 1.57 4.07 -1.26 -3.46 120.64 121.60 2kbn n GLU 33 Ca 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 2kbn n GLU 33 Cb 0.69 0.00 0.28 0.00 -0.06 0.00 0.00 31.44 32.34 2kbn n GLU 33 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2kbn h SER 34 N 0.00 0.71 -3.32 4.31 4.64 -1.94 -3.41 113.55 114.54 2kbn h SER 34 Ca 0.00 -0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.61 2kbn h SER 34 Cb 0.00 -0.18 -0.26 0.00 -0.31 0.00 0.00 62.40 61.65 2kbn h SER 34 CO 0.00 0.59 -0.74 -0.63 -0.87 0.00 0.00 176.83 175.18 2kbn s ILE 35 N -5.52 3.26 -0.02 0.95 1.01 -1.22 -4.09 121.20 115.57 2kbn s ILE 35 Ca -0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2kbn s ILE 35 Cb 0.17 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 2kbn s ILE 35 CO 0.77 0.50 -0.02 0.28 0.00 0.00 0.00 174.94 176.48 2kbn h SER 36 N 6.93 0.00 -5.00 3.58 0.02 -1.53 -2.94 113.55 114.61 2kbn h SER 36 Ca -0.29 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 2kbn h SER 36 Cb 1.20 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.54 2kbn h SER 36 CO 0.58 0.13 -0.70 -1.58 -1.14 0.00 0.00 176.83 174.12 2kbn s GLN 37 N -1.18 0.37 -0.01 3.45 0.74 -1.25 -2.08 119.66 119.71 2kbn s GLN 37 Ca -0.01 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.70 2kbn s GLN 37 Cb 0.00 0.09 -0.00 0.00 1.10 0.00 0.00 33.01 34.20 2kbn s GLN 37 CO 0.02 -0.05 -0.05 0.54 -0.55 0.00 0.00 175.29 175.20 2kbn s VAL 38 N -1.82 0.44 0.00 1.34 0.11 -1.01 -1.73 120.40 117.73 2kbn s VAL 38 Ca -0.12 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2kbn s VAL 38 Cb -0.07 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 2kbn s VAL 38 CO -0.02 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2kbn n GLY 39 N 3.01 2.24 3.00 6.54 0.00 -1.10 0.02 105.19 118.91 2kbn n GLY 39 Ca -0.14 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 2.16 -0.13 0.99 2.34 -1.11 -1.77 118.68 121.16 2kbn s LEU 40 Ca 0.00 -0.36 -0.02 0.00 0.06 0.00 0.00 54.13 53.80 2kbn s LEU 40 Cb 0.00 -0.14 -0.03 0.00 -0.56 0.00 0.00 46.19 45.47 2kbn s LEU 40 CO 0.00 -0.12 -0.05 -0.76 -1.06 0.00 0.00 176.35 174.35 2kbn s LEU 41 N -1.00 3.19 0.71 1.48 1.43 0.40 -3.07 118.68 121.81 2kbn s LEU 41 Ca -0.07 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2kbn s LEU 41 Cb -0.07 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2kbn s LEU 41 CO -0.00 0.22 1.09 -0.83 0.23 0.00 0.00 176.35 177.05 2kbn s GLY 42 N 0.08 1.63 -0.29 -3.19 0.00 0.16 -1.99 107.32 103.72 2kbn s GLY 42 Ca -0.01 -0.27 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 2kbn s GLY 42 CO 0.03 0.09 1.16 -0.35 0.00 0.00 0.00 173.10 174.03 2kbn s ASP 43 N -4.25 -0.32 0.23 1.64 -1.08 0.20 -2.54 116.67 110.55 2kbn s ASP 43 Ca 0.58 0.60 0.12 0.00 -0.52 0.00 0.00 52.55 53.33 2kbn s ASP 43 Cb -0.12 0.69 0.65 0.00 -1.46 0.00 0.00 42.92 42.68 2kbn s ASP 43 CO 0.53 -0.10 1.30 -1.84 0.52 0.00 0.00 175.17 175.57 2kbn n GLU 44 N 2.22 0.08 0.00 4.34 0.28 -1.26 0.96 120.64 127.25 2kbn n GLU 44 Ca -0.13 0.54 0.10 0.00 -0.16 0.00 0.00 57.16 57.52 2kbn n GLU 44 Cb 0.56 -1.90 -0.04 0.00 1.43 0.00 0.00 31.44 31.49 2kbn n GLU 44 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2kbn n THR 45 N -1.92 0.00 -0.75 3.84 -2.24 -1.26 -5.07 114.28 106.87 2kbn n THR 45 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2kbn n THR 45 Cb 0.16 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.57 3.30 3.38 0.00 0.27 -4.43 105.19 109.78 2kbn n GLY 46 Ca 0.05 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.24 1.66 -0.01 -0.61 -4.36 -1.26 -0.63 121.20 112.76 2kbn s ILE 47 Ca 0.00 -1.82 -0.02 0.00 -0.26 0.00 0.00 60.65 58.55 2kbn s ILE 47 Cb 0.00 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.99 2kbn s ILE 47 CO 0.00 -0.32 0.04 -0.51 0.24 0.00 0.00 174.94 174.39 2kbn s ILE 48 N -2.00 0.02 0.11 8.37 -1.16 -0.84 -4.96 121.20 120.75 2kbn s ILE 48 Ca 0.13 -0.18 -0.14 0.00 -0.51 0.00 0.00 60.65 59.95 2kbn s ILE 48 Cb -0.06 -0.13 -0.07 0.00 0.61 0.00 0.00 42.46 42.82 2kbn s ILE 48 CO 0.05 -0.10 0.51 -0.54 -2.81 0.00 0.00 174.94 172.05 2kbn s LYS 49 N -0.29 3.95 0.04 3.50 1.02 -1.26 -0.46 119.74 126.25 2kbn s LYS 49 Ca -0.03 0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.41 2kbn s LYS 49 Cb -0.02 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2kbn s LYS 49 CO 0.00 0.53 -0.06 -0.59 -0.92 0.00 0.00 175.35 174.32 2kbn s PHE 50 N -1.38 0.56 -0.05 3.18 -0.71 -0.73 -2.24 117.98 116.61 2kbn s PHE 50 Ca 0.34 -0.63 0.03 0.00 -1.04 0.00 0.00 56.93 55.63 2kbn s PHE 50 Cb -0.15 -0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.31 2kbn s PHE 50 CO 0.18 -0.16 -0.13 0.99 -1.34 0.00 0.00 175.22 174.76 2kbn s THR 51 N -2.00 1.18 -0.27 -4.49 2.01 -0.91 -2.69 115.64 108.47 2kbn s THR 51 Ca -0.07 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 2kbn s THR 51 Cb -0.06 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 2kbn s THR 51 CO -0.02 0.36 0.18 -0.63 -0.69 0.00 0.00 174.62 173.82 2kbn s ILE 52 N 0.37 5.32 -0.15 1.82 -1.09 -0.71 -2.36 121.20 124.41 2kbn s ILE 52 Ca -0.09 0.17 -0.27 0.00 -2.23 0.00 0.00 60.65 58.23 2kbn s ILE 52 Cb -0.13 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2kbn s ILE 52 CO 0.03 0.28 0.92 0.26 -1.23 0.00 0.00 174.94 175.20 2kbn s TRP 53 N 1.57 3.46 -0.21 3.97 0.52 -1.09 -2.09 118.94 125.07 2kbn s TRP 53 Ca 0.07 1.42 0.24 0.00 0.02 0.00 0.00 56.10 57.85 2kbn s TRP 53 Cb -0.15 -3.11 1.20 0.00 -1.15 0.00 0.00 33.47 30.26 2kbn s TRP 53 CO 0.09 -0.25 1.72 -0.22 0.02 0.00 0.00 176.95 178.31 2kbn h LYS 54 N 7.23 0.00 -0.78 4.98 3.64 -1.82 -2.09 116.57 127.73 2kbn h LYS 54 Ca -0.29 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 2kbn h LYS 54 Cb 1.13 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2kbn h LYS 54 CO 0.86 0.00 0.30 -0.91 -2.27 0.00 0.00 179.45 177.43 2kbn h ASN 55 N 0.00 1.09 -0.03 4.20 2.35 -1.90 -2.17 115.58 119.12 2kbn h ASN 55 Ca 0.00 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 2kbn h ASN 55 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2kbn h ASN 55 CO 0.00 0.97 -0.12 0.00 -1.65 0.00 0.00 177.43 176.63 2kbn h ALA 56 N 1.16 1.44 -5.70 -0.83 0.00 -1.69 -3.46 119.26 110.18 2kbn h ALA 56 Ca 0.26 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 2kbn h ALA 56 Cb 0.23 -0.10 0.16 0.00 0.00 0.00 0.00 17.79 18.08 2kbn h ALA 56 CO -0.02 0.39 -0.77 0.39 0.00 0.00 0.00 179.25 179.24 2kbn n GLU 57 N -4.26 -6.57 -3.96 0.00 -0.58 -0.82 -4.81 120.64 99.65 2kbn n GLU 57 Ca -0.00 0.83 -0.29 0.00 -0.42 0.00 0.00 57.16 57.28 2kbn n GLU 57 Cb 0.28 -5.82 -0.04 0.00 -0.57 0.00 0.00 31.44 25.29 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kbn s LEU 58 N -6.44 4.22 0.54 -4.62 1.43 -1.26 -5.07 118.68 107.48 2kbn s LEU 58 Ca 0.03 0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 53.09 2kbn s LEU 58 Cb -0.01 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 2kbn s LEU 58 CO 0.74 0.12 0.69 -2.65 0.23 0.00 0.00 176.35 175.47 2kbn n PRO 59 N -0.07 0.71 -1.80 1.29 -0.02 -1.26 -4.93 135.00 128.92 2kbn n PRO 59 Ca -0.07 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 2kbn n PRO 59 Cb 0.53 -1.82 0.04 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.08 3.43 0.44 2.45 1.43 -1.26 -5.00 118.68 120.24 2kbn s LEU 60 Ca 0.69 2.04 -0.21 0.00 -1.03 0.00 0.00 54.13 55.62 2kbn s LEU 60 Cb -0.47 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.09 2kbn s LEU 60 CO 0.53 -1.62 0.97 -0.76 0.23 0.00 0.00 176.35 175.70 2kbn s LEU 61 N -4.76 3.94 0.02 1.79 2.01 -1.26 -5.06 118.68 115.37 2kbn s LEU 61 Ca 0.68 1.76 0.01 0.00 0.01 0.00 0.00 54.13 56.60 2kbn s LEU 61 Cb -0.21 -4.51 -0.04 0.00 0.01 0.00 0.00 46.19 41.44 2kbn s LEU 61 CO 0.40 -0.44 0.04 -1.61 1.01 0.00 0.00 176.35 175.75 2kbn s GLU 62 N -3.12 2.88 0.08 1.70 0.41 -1.26 -5.07 118.70 114.33 2kbn s GLU 62 Ca 0.63 -0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 54.30 2kbn s GLU 62 Cb -0.11 -2.73 -0.05 0.00 -1.78 0.00 0.00 34.13 29.45 2kbn s GLU 62 CO 0.15 0.61 0.91 -1.14 -0.49 0.00 0.00 175.26 175.31 2kbn s GLN 63 N -1.85 4.63 0.00 1.61 0.74 -1.26 -3.46 119.66 120.07 2kbn s GLN 63 Ca 0.23 1.34 0.00 0.00 0.05 0.00 0.00 55.36 56.98 2kbn s GLN 63 Cb -0.12 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.61 2kbn s GLN 63 CO 0.15 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.51 2kbn n GLY 64 N 2.34 1.21 3.80 2.59 0.00 -1.05 -5.02 105.19 109.06 2kbn n GLY 64 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.52 2.97 -0.08 1.61 2.02 -1.22 -4.88 118.70 118.60 2kbn s GLU 65 Ca 0.00 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.19 2kbn s GLU 65 Cb 0.00 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 2kbn s GLU 65 CO 0.00 0.57 0.33 -1.12 0.02 0.00 0.00 175.26 175.05 2kbn s SER 66 N -2.48 6.61 0.05 -0.19 0.01 -1.26 -2.68 113.70 113.76 2kbn s SER 66 Ca 0.30 0.73 0.09 0.00 1.31 0.00 0.00 55.95 58.38 2kbn s SER 66 Cb -0.12 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2kbn s SER 66 CO 0.23 0.26 -0.24 -0.31 0.41 0.00 0.00 173.24 173.59 2kbn s TYR 67 N -0.53 2.12 -0.31 2.43 2.02 -0.99 -2.71 117.35 119.38 2kbn s TYR 67 Ca 0.20 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2kbn s TYR 67 Cb -0.15 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 2kbn s TYR 67 CO 0.09 0.13 0.07 -1.17 -1.57 0.00 0.00 175.55 173.09 2kbn s LEU 68 N -1.29 3.99 -0.14 -1.29 2.96 0.01 -2.79 118.68 120.13 2kbn s LEU 68 Ca 0.10 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.89 2kbn s LEU 68 Cb -0.10 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2kbn s LEU 68 CO 0.02 -0.25 0.31 -0.76 -1.32 0.00 0.00 176.35 174.35 2kbn s LEU 69 N 1.41 4.28 0.01 -0.68 1.43 -0.06 -2.38 118.68 122.69 2kbn s LEU 69 Ca -0.00 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 2kbn s LEU 69 Cb -0.18 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2kbn s LEU 69 CO 0.01 0.14 -0.22 -0.13 0.23 0.00 0.00 176.35 176.39 2kbn s ARG 70 N 0.19 1.64 -0.91 1.70 0.52 -1.04 -0.96 118.95 120.09 2kbn s ARG 70 Ca 0.18 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 2kbn s ARG 70 Cb -0.13 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 2kbn s ARG 70 CO 0.05 0.44 0.79 0.45 0.02 0.00 0.00 175.30 177.06 2kbn n SER 71 N 2.27 -6.93 -4.45 0.23 2.88 -1.24 -2.54 113.62 103.83 2kbn n SER 71 Ca -0.16 -0.47 -0.23 0.00 -1.33 0.00 0.00 58.87 56.68 2kbn n SER 71 Cb 0.53 -4.87 -0.10 0.00 -0.75 0.00 0.00 64.21 59.02 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 -3.20 2.24 -0.08 2.46 -7.23 -1.02 -3.74 120.40 109.83 2kbn s VAL 72 Ca 0.23 -2.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 2kbn s VAL 72 Cb -0.04 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2kbn s VAL 72 CO 0.77 -0.42 -0.22 0.54 -0.31 0.00 0.00 175.10 175.46 2kbn s VAL 73 N -2.65 2.28 -0.22 1.32 0.11 -1.26 -2.65 120.40 117.33 2kbn s VAL 73 Ca 0.29 -0.97 -0.24 0.00 -2.93 0.00 0.00 61.98 58.13 2kbn s VAL 73 Cb -0.03 -1.86 -0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2kbn s VAL 73 CO 0.13 0.56 0.79 -0.69 -3.33 0.00 0.00 175.10 172.57 2kbn s VAL 74 N 0.03 4.88 0.15 2.04 1.01 -0.65 -2.65 120.40 125.20 2kbn s VAL 74 Ca -0.08 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.43 2kbn s VAL 74 Cb -0.15 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2kbn s VAL 74 CO 0.05 -0.02 0.20 0.61 0.00 0.00 0.00 175.10 175.95 2kbn n GLY 75 N 3.71 1.76 3.33 4.51 0.00 0.13 -0.25 105.19 118.38 2kbn n GLY 75 Ca 0.04 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 2kbn n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbn s GLU 76 N -2.70 3.42 -0.92 1.61 2.02 -1.26 -2.19 118.70 118.67 2kbn s GLU 76 Ca 0.15 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 2kbn s GLU 76 Cb -0.01 -3.02 0.23 0.00 0.10 0.00 0.00 34.13 31.42 2kbn s GLU 76 CO 0.10 -0.16 0.83 -0.47 0.02 0.00 0.00 175.26 175.57 2kbn s TYR 77 N 1.41 3.95 0.00 1.61 5.04 0.18 -4.84 117.35 124.70 2kbn s TYR 77 Ca 0.05 -2.95 0.00 0.00 -2.44 0.00 0.00 57.07 51.73 2kbn s TYR 77 Cb -0.14 -3.35 0.00 0.00 0.35 0.00 0.00 41.96 38.81 2kbn s TYR 77 CO -0.02 -0.78 0.00 0.09 -1.34 0.00 0.00 175.55 173.50 2kbn n ASN 78 N 2.45 0.00 0.02 4.32 3.02 -1.26 -0.82 115.26 122.99 2kbn n ASN 78 Ca 0.21 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.74 2kbn n ASN 78 Cb 0.38 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.53 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2kbn h ASP 79 N 0.00 -0.21 -1.75 6.41 1.82 -2.04 -3.46 116.42 117.19 2kbn h ASP 79 Ca 0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2kbn h ASP 79 Cb 0.00 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.09 2kbn h ASP 79 CO 0.00 -0.08 0.00 0.54 -1.61 0.00 0.00 179.24 178.09 2kbn n ARG 80 N -2.83 3.05 -3.61 0.28 1.74 0.00 -5.15 116.66 110.14 2kbn n ARG 80 Ca -0.01 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 2kbn n ARG 80 Cb 0.06 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.49 2kbn n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2kbn s PHE 81 N 0.13 3.27 0.09 -1.55 0.08 -1.26 0.51 117.98 119.25 2kbn s PHE 81 Ca 0.00 -0.07 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 2kbn s PHE 81 Cb 0.00 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2kbn s PHE 81 CO 0.00 0.13 0.06 1.14 -0.10 0.00 0.00 175.22 176.46 2kbn s GLN 82 N -4.14 0.79 -0.15 0.44 -2.07 -0.93 -4.49 119.66 109.10 2kbn s GLN 82 Ca 0.41 -1.23 -0.04 0.00 -1.82 0.00 0.00 55.36 52.68 2kbn s GLN 82 Cb -0.09 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 2kbn s GLN 82 CO 0.31 -0.21 -0.02 0.14 -1.32 0.00 0.00 175.29 174.19 2kbn s VAL 83 N -3.95 4.08 -0.15 3.63 -7.23 -0.95 0.21 120.40 116.03 2kbn s VAL 83 Ca 0.12 -0.29 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 2kbn s VAL 83 Cb 0.07 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2kbn s VAL 83 CO -0.06 0.50 0.01 -1.10 -0.31 0.00 0.00 175.10 174.14 2kbn s GLN 84 N 0.21 3.67 -0.23 4.82 -0.21 -1.08 -2.15 119.66 124.68 2kbn s GLN 84 Ca -0.01 -0.43 -0.09 0.00 0.02 0.00 0.00 55.36 54.85 2kbn s GLN 84 Cb -0.13 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 2kbn s GLN 84 CO 0.02 0.34 0.10 0.08 -2.12 0.00 0.00 175.29 173.71 2kbn s VAL 85 N 0.14 4.83 0.31 1.09 1.01 -0.99 -4.04 120.40 122.75 2kbn s VAL 85 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2kbn s VAL 85 Cb -0.13 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2kbn s VAL 85 CO 0.02 0.37 0.05 0.59 0.00 0.00 0.00 175.10 176.12 2kbn n ASN 86 N 4.36 2.10 0.04 3.32 3.02 -1.26 -2.67 115.26 124.16 2kbn n ASN 86 Ca -0.16 -2.50 0.05 0.00 -0.03 0.00 0.00 54.58 51.94 2kbn n ASN 86 Cb 0.52 0.46 0.46 0.00 -0.61 0.00 0.00 39.78 40.61 2kbn n ASN 86 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2kbn h LYS 87 N 0.00 0.45 -0.65 3.52 2.10 -1.88 -1.69 116.57 118.43 2kbn h LYS 87 Ca -0.25 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.32 2kbn h LYS 87 Cb 0.85 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.05 2kbn h LYS 87 CO 0.41 0.30 0.21 -0.97 -2.00 0.00 0.00 179.45 177.41 2kbn h ASN 88 N 0.47 0.91 -4.35 7.07 -0.73 -1.95 -3.43 115.58 113.56 2kbn h ASN 88 Ca 0.13 -0.15 -0.49 0.00 1.87 0.00 0.00 56.30 57.66 2kbn h ASN 88 Cb -0.03 -0.24 0.10 0.00 0.27 0.00 0.00 38.32 38.42 2kbn h ASN 88 CO -0.03 0.85 0.36 -0.55 -0.37 0.00 0.00 177.43 177.69 2kbn s SER 89 N -6.49 4.78 0.12 1.15 0.15 -0.64 -4.89 113.70 107.89 2kbn s SER 89 Ca -0.11 1.24 0.04 0.00 0.70 0.00 0.00 55.95 57.82 2kbn s SER 89 Cb 0.16 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2kbn s SER 89 CO 0.82 -1.78 -0.09 -0.94 1.20 0.00 0.00 173.24 172.44 2kbn s SER 90 N -4.05 1.52 -0.06 5.45 1.04 -1.05 -4.79 113.70 111.75 2kbn s SER 90 Ca 0.60 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2kbn s SER 90 Cb -0.13 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2kbn s SER 90 CO 0.53 -0.34 -0.17 -0.63 0.98 0.00 0.00 173.24 173.62 2kbn s ILE 91 N -3.07 1.48 -0.02 -1.02 1.01 -1.26 -2.50 121.20 115.82 2kbn s ILE 91 Ca 0.11 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2kbn s ILE 91 Cb 0.01 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2kbn s ILE 91 CO -0.01 0.43 -0.04 -1.61 0.00 0.00 0.00 174.94 173.71 2kbn s GLU 92 N 0.29 0.47 0.08 2.79 0.41 -1.00 -4.95 118.70 116.79 2kbn s GLU 92 Ca -0.10 -0.10 -0.25 0.00 -0.41 0.00 0.00 54.97 54.10 2kbn s GLU 92 Cb -0.14 -0.51 -0.06 0.00 -1.78 0.00 0.00 34.13 31.64 2kbn s GLU 92 CO 0.04 0.01 0.78 0.15 -0.49 0.00 0.00 175.26 175.76 2kbn s LYS 93 N 0.37 4.53 -0.13 1.61 1.02 -1.26 -0.81 119.74 125.07 2kbn s LYS 93 Ca -0.04 1.12 -0.03 0.00 0.02 0.00 0.00 55.97 57.04 2kbn s LYS 93 Cb -0.07 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2kbn s LYS 93 CO -0.00 0.36 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.25 2kbn s LEU 94 N -0.36 3.37 0.00 3.17 1.02 -1.10 -4.96 118.68 119.82 2kbn s LEU 94 Ca 0.38 -0.03 0.21 0.00 0.02 0.00 0.00 54.13 54.71 2kbn s LEU 94 Cb -0.21 -1.79 1.24 0.00 0.02 0.00 0.00 46.19 45.44 2kbn s LEU 94 CO 0.24 0.25 1.68 -1.54 0.02 0.00 0.00 176.35 177.00 2kbn n SER 95 N 3.03 0.00 -4.16 2.29 3.41 -1.26 -4.40 113.62 112.52 2kbn n SER 95 Ca -0.18 -0.96 -0.39 0.00 -0.26 0.00 0.00 58.87 57.08 2kbn n SER 95 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kbn s GLU 96 N -2.00 2.51 0.65 4.33 -6.30 -1.26 -5.09 118.70 111.54 2kbn s GLU 96 Ca 0.31 -2.11 -0.12 0.00 -2.50 0.00 0.00 54.97 50.55 2kbn s GLU 96 Cb 0.14 -3.83 -0.02 0.00 0.00 0.00 0.00 34.13 30.42 2kbn s GLU 96 CO 0.24 -1.17 1.04 -1.25 0.02 0.00 0.00 175.26 174.14 2kbn s PRO 97 N 0.70 3.26 -0.19 4.30 0.04 -1.26 -4.91 135.00 136.93 2kbn s PRO 97 Ca 0.11 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 2kbn s PRO 97 Cb -0.22 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2kbn s PRO 97 CO -0.03 -0.84 0.06 0.42 0.04 0.00 0.00 177.00 176.64 2kbn s ILE 98 N -2.98 4.64 0.29 0.56 1.01 -1.26 -5.07 121.20 118.39 2kbn s ILE 98 Ca 0.58 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 2kbn s ILE 98 Cb -0.13 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.14 2kbn s ILE 98 CO 0.51 0.44 1.32 -1.83 0.00 0.00 0.00 174.94 175.38 2kbn s GLU 99 N 0.60 4.36 -0.47 2.79 -1.05 -1.26 -4.91 118.70 118.75 2kbn s GLU 99 Ca 0.03 2.19 0.03 0.00 -0.15 0.00 0.00 54.97 57.07 2kbn s GLU 99 Cb -0.13 -3.10 0.62 0.00 -0.44 0.00 0.00 34.13 31.08 2kbn s GLU 99 CO 0.01 -0.23 1.90 1.33 0.95 0.00 0.00 175.26 179.23 2kbn n VAL 100 N 1.43 3.22 0.00 1.83 0.24 -1.26 -4.47 118.33 119.33 2kbn n VAL 100 Ca 0.02 -2.16 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 2kbn n VAL 100 Cb 0.42 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.11 1.98 0.29 7.63 0.00 -1.26 -4.88 105.19 107.84 2kbn n GLY 101 Ca 0.58 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 45.41 2kbn n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kbn n LEU 102 N 0.00 1.04 0.00 0.99 4.32 -1.26 -3.58 117.00 118.51 2kbn n LEU 102 Ca 0.00 -0.28 0.14 0.00 -0.02 0.00 0.00 56.01 55.85 2kbn n LEU 102 Cb 0.00 -0.08 0.75 0.00 -1.62 0.00 0.00 43.42 42.47 2kbn n LEU 102 CO 0.00 0.18 1.00 -1.84 -1.22 0.00 0.00 177.39 175.52 2kbn n GLU 103 N -0.44 0.50 -0.21 3.23 0.28 -1.26 -3.46 120.64 119.28 2kbn n GLU 103 Ca 0.16 0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 57.08 2kbn n GLU 103 Cb 0.33 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.72 2kbn n GLU 103 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kbn h HIS 104 N 0.00 1.05 -3.23 -1.84 2.76 -1.90 -3.42 115.15 108.57 2kbn h HIS 104 Ca 0.00 -0.14 -0.54 0.00 -2.20 0.00 0.00 60.37 57.49 2kbn h HIS 104 Cb 0.22 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 2kbn h HIS 104 CO 0.00 0.91 0.53 -1.58 -1.30 0.00 0.00 177.93 176.48 2kbn s HIS 105 N -5.21 3.47 0.00 5.26 5.65 -1.22 -4.83 115.29 118.40 2kbn s HIS 105 Ca -0.12 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.57 2kbn s HIS 105 Cb 0.13 -3.35 0.00 0.00 -1.18 0.00 0.00 32.58 28.18 2kbn s HIS 105 CO 0.83 -1.00 0.46 -2.39 -0.65 0.00 0.00 174.74 171.99 2kbn n HIS 106 N 4.00 0.00 -2.71 3.88 1.44 -1.26 -5.09 115.22 115.48 2kbn n HIS 106 Ca 0.08 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.37 2kbn n HIS 106 Cb 0.47 0.11 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 2kbn n HIS 106 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kbn s HIS 107 N 0.00 3.56 0.17 -1.40 2.46 -1.26 -5.02 115.29 113.80 2kbn s HIS 107 Ca 0.00 1.61 -0.16 0.00 0.47 0.00 0.00 55.06 56.98 2kbn s HIS 107 Cb 0.00 -3.15 0.03 0.00 -0.13 0.00 0.00 32.58 29.32 2kbn s HIS 107 CO 0.00 -0.15 0.46 -3.38 -2.47 0.00 0.00 174.74 169.20 2kbn s HIS 108 N 1.66 -0.08 0.00 3.88 -3.43 -1.26 -5.29 115.29 110.77 2kbn s HIS 108 Ca 0.49 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 2kbn s HIS 108 Cb -0.19 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 2kbn s HIS 108 CO 0.21 -0.83 0.00 1.58 -2.00 0.00 0.00 174.74 173.70