#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 2.51 0.42 2.12 8.01 -1.26 -4.95 118.70 125.56 2kbn s GLU 2 Ca 0.00 1.18 -0.24 0.00 0.01 0.00 0.00 54.97 55.93 2kbn s GLU 2 Cb 0.00 -1.93 -0.11 0.00 -4.31 0.00 0.00 34.13 27.78 2kbn s GLU 2 CO 0.00 -1.45 0.89 -2.30 0.01 0.00 0.00 175.26 172.41 2kbn n PRO 3 N -3.18 1.12 -1.48 0.39 -0.02 -1.26 -4.80 135.00 125.77 2kbn n PRO 3 Ca 0.09 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 2kbn n PRO 3 Cb 0.53 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2kbn n PRO 3 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2kbn n GLN 4 N 0.23 2.22 -2.30 -0.52 0.00 -1.26 -4.93 117.38 110.81 2kbn n GLN 4 Ca 0.10 -2.26 -0.38 0.00 -0.00 0.00 0.00 57.00 54.46 2kbn n GLN 4 Cb 0.39 -3.13 -0.02 0.00 0.00 0.00 0.00 30.24 27.48 2kbn n GLN 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kbn s LEU 5 N 1.88 4.17 -0.06 1.69 1.43 -1.26 -2.43 118.68 124.11 2kbn s LEU 5 Ca 0.52 2.33 0.04 0.00 -1.03 0.00 0.00 54.13 55.99 2kbn s LEU 5 Cb 0.14 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2kbn s LEU 5 CO 0.01 -0.69 -0.18 -0.89 0.23 0.00 0.00 176.35 174.83 2kbn s THR 6 N -1.44 1.55 0.52 5.49 2.01 -0.45 -4.89 115.64 118.43 2kbn s THR 6 Ca 0.58 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 2kbn s THR 6 Cb -0.30 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 70.79 2kbn s THR 6 CO 0.38 0.44 1.03 -0.54 -0.69 0.00 0.00 174.62 175.24 2kbn s LYS 7 N 0.22 3.73 0.16 4.92 1.02 -1.26 -4.80 119.74 123.73 2kbn s LYS 7 Ca -0.09 1.23 -0.13 0.00 0.02 0.00 0.00 55.97 57.00 2kbn s LYS 7 Cb -0.14 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.13 2kbn s LYS 7 CO 0.04 -0.48 1.71 0.82 -0.92 0.00 0.00 175.35 176.52 2kbn h ILE 8 N 1.18 1.22 0.00 2.17 2.04 -1.98 -1.89 117.51 120.25 2kbn h ILE 8 Ca -0.48 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2kbn h ILE 8 Cb 1.21 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2kbn h ILE 8 CO 0.59 0.26 -0.08 1.62 0.00 0.00 0.00 178.15 180.54 2kbn h VAL 9 N 0.71 0.50 0.00 1.67 3.04 -1.93 -0.53 116.25 119.71 2kbn h VAL 9 Ca 0.18 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2kbn h VAL 9 Cb 0.20 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2kbn h VAL 9 CO -0.01 0.08 0.00 0.47 -1.01 0.00 0.00 177.57 177.10 2kbn n ASP 10 N -3.63 0.00 -4.65 3.17 8.00 -0.72 -4.74 116.55 113.98 2kbn n ASP 10 Ca -0.02 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.63 2kbn n ASP 10 Cb 0.19 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.38 4.67 0.00 0.53 1.01 -0.21 -4.77 121.20 120.05 2kbn s ILE 11 Ca 0.35 1.88 0.00 0.00 0.00 0.00 0.00 60.65 62.88 2kbn s ILE 11 Cb 0.21 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2kbn s ILE 11 CO 0.43 -0.23 0.35 1.33 0.00 0.00 0.00 174.94 176.81 2kbn n VAL 12 N 5.43 0.00 -3.93 2.92 0.24 -1.26 -5.02 118.33 116.71 2kbn n VAL 12 Ca 0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.28 2kbn n VAL 12 Cb 0.46 0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 33.06 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 0.08 0.39 7.34 2.56 -1.26 -5.15 118.70 122.66 2kbn s GLU 13 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.97 54.84 2kbn s GLU 13 Cb 0.00 -0.08 -0.06 0.00 2.00 0.00 0.00 34.13 35.99 2kbn s GLU 13 CO 0.00 0.02 0.75 0.54 -0.56 0.00 0.00 175.26 176.01 2kbn s ASN 14 N -0.02 6.51 0.00 -1.70 4.22 -1.26 -3.78 114.94 118.90 2kbn s ASN 14 Ca 0.00 1.08 0.00 0.00 -2.14 0.00 0.00 52.86 51.80 2kbn s ASN 14 Cb -0.00 -2.30 0.00 0.00 1.28 0.00 0.00 41.25 40.22 2kbn s ASN 14 CO -0.00 -0.38 0.00 0.61 -2.04 0.00 0.00 177.10 175.29 2kbn n GLY 15 N -1.28 0.59 3.71 0.45 0.00 0.11 -4.95 105.19 103.80 2kbn n GLY 15 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2kbn n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kbn s GLN 16 N -0.38 4.35 -0.10 1.61 0.74 -1.25 -4.69 119.66 119.93 2kbn s GLN 16 Ca 0.00 1.94 -0.09 0.00 0.05 0.00 0.00 55.36 57.26 2kbn s GLN 16 Cb 0.00 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 2kbn s GLN 16 CO 0.00 -0.42 0.20 -1.58 -0.55 0.00 0.00 175.29 172.94 2kbn s TRP 17 N 1.46 3.60 -0.03 1.67 0.52 -1.26 -2.26 118.94 122.63 2kbn s TRP 17 Ca 0.62 0.61 -0.25 0.00 0.02 0.00 0.00 56.10 57.10 2kbn s TRP 17 Cb -0.33 -2.04 0.08 0.00 -1.15 0.00 0.00 33.47 30.03 2kbn s TRP 17 CO 0.29 0.66 1.15 0.00 0.02 0.00 0.00 176.95 179.07 2kbn n ALA 18 N 2.15 -3.26 -2.65 0.98 0.00 -1.07 -4.99 120.51 111.67 2kbn n ALA 18 Ca -0.18 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.25 2kbn n ALA 18 Cb 0.54 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.53 4.89 -0.08 0.00 0.01 -1.02 -2.54 114.94 112.66 2kbn s ASN 19 Ca 0.27 -0.12 -0.03 0.00 -0.71 0.00 0.00 52.86 52.27 2kbn s ASN 19 Cb -0.01 -1.19 0.05 0.00 0.41 0.00 0.00 41.25 40.51 2kbn s ASN 19 CO -0.01 0.25 0.17 -0.22 -1.51 0.00 0.00 177.10 175.78 2kbn s LEU 20 N -1.73 0.27 -0.11 0.60 0.20 -0.88 -1.33 118.68 115.69 2kbn s LEU 20 Ca 0.20 0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.38 2kbn s LEU 20 Cb -0.11 0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 46.01 2kbn s LEU 20 CO 0.11 -0.20 -0.08 -0.75 -0.29 0.00 0.00 176.35 175.14 2kbn s LYS 21 N 1.76 3.23 0.24 1.98 2.20 -1.26 -2.26 119.74 125.63 2kbn s LYS 21 Ca -0.03 -0.59 -0.21 0.00 -0.36 0.00 0.00 55.97 54.78 2kbn s LYS 21 Cb -0.12 -2.70 0.06 0.00 -1.51 0.00 0.00 37.83 33.56 2kbn s LYS 21 CO -0.06 0.39 0.89 0.00 -0.36 0.00 0.00 175.35 176.20 2kbn s ALA 22 N -0.07 -1.33 0.06 3.13 0.00 -1.07 -4.99 121.76 117.50 2kbn s ALA 22 Ca -0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2kbn s ALA 22 Cb -0.13 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2kbn s ALA 22 CO 0.03 -1.03 -0.01 -1.59 0.00 0.00 0.00 175.76 173.15 2kbn s LYS 23 N -2.90 2.57 -0.07 0.00 -2.85 -1.08 -1.58 119.74 113.84 2kbn s LYS 23 Ca 0.15 -0.79 -0.25 0.00 -1.00 0.00 0.00 55.97 54.08 2kbn s LYS 23 Cb -0.04 -2.55 -0.03 0.00 -2.06 0.00 0.00 37.83 33.15 2kbn s LYS 23 CO 0.06 0.56 0.80 0.08 0.10 0.00 0.00 175.35 176.95 2kbn s VAL 24 N -1.23 4.97 -0.22 1.79 1.01 -1.08 -0.07 120.40 125.57 2kbn s VAL 24 Ca 0.23 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.69 2kbn s VAL 24 Cb -0.12 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 2kbn s VAL 24 CO 0.15 0.19 -0.18 -0.38 0.00 0.00 0.00 175.10 174.88 2kbn n ILE 25 N 3.96 1.51 -3.76 2.22 5.41 -1.22 -0.37 119.36 127.10 2kbn n ILE 25 Ca 0.02 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 2kbn n ILE 25 Cb 0.51 -2.10 -0.10 0.00 -0.71 0.00 0.00 39.64 37.24 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 0.53 -0.04 0.38 2.00 -1.26 -4.62 119.66 114.13 2kbn s GLN 26 Ca -0.31 0.11 -0.04 0.00 -2.00 0.00 0.00 55.36 53.12 2kbn s GLN 26 Cb 0.08 0.24 0.01 0.00 0.80 0.00 0.00 33.01 34.15 2kbn s GLN 26 CO 0.46 -0.12 0.12 -0.48 -0.50 0.00 0.00 175.29 174.78 2kbn s LEU 27 N -0.61 1.55 -0.16 3.68 2.34 -1.26 -2.74 118.68 121.48 2kbn s LEU 27 Ca -0.07 0.22 -0.00 0.00 0.06 0.00 0.00 54.13 54.33 2kbn s LEU 27 Cb -0.04 0.42 -0.00 0.00 -0.56 0.00 0.00 46.19 46.00 2kbn s LEU 27 CO 0.02 -0.06 -0.14 0.86 -1.06 0.00 0.00 176.35 175.98 2kbn s TRP 28 N -0.01 2.81 0.38 3.48 -0.00 0.04 -4.97 118.94 120.67 2kbn s TRP 28 Ca -0.01 -0.98 -0.26 0.00 -0.00 0.00 0.00 56.10 54.85 2kbn s TRP 28 Cb -0.01 -1.91 -0.09 0.00 -0.00 0.00 0.00 33.47 31.46 2kbn s TRP 28 CO 0.00 -0.45 1.23 -1.21 -0.00 0.00 0.00 176.95 176.53 2kbn s GLU 29 N 0.83 4.13 -0.27 5.86 2.02 -1.26 -2.44 118.70 127.57 2kbn s GLU 29 Ca -0.04 2.01 -0.05 0.00 0.02 0.00 0.00 54.97 56.91 2kbn s GLU 29 Cb -0.15 -2.82 0.14 0.00 0.10 0.00 0.00 34.13 31.40 2kbn s GLU 29 CO -0.00 -0.31 0.53 0.54 0.02 0.00 0.00 175.26 176.04 2kbn s ASN 30 N -0.86 -0.77 -1.03 -0.19 4.22 -1.08 -4.92 114.94 110.31 2kbn s ASN 30 Ca 0.54 0.97 -0.01 0.00 -2.14 0.00 0.00 52.86 52.22 2kbn s ASN 30 Cb -0.35 1.83 0.32 0.00 1.28 0.00 0.00 41.25 44.33 2kbn s ASN 30 CO 0.45 -0.25 1.77 1.07 -2.04 0.00 0.00 177.10 178.10 2kbn n THR 31 N 5.41 5.98 0.00 0.54 5.66 -1.26 -4.21 114.28 126.41 2kbn n THR 31 Ca -0.06 -5.98 -0.11 0.00 -3.05 0.00 0.00 64.05 54.85 2kbn n THR 31 Cb 0.50 -1.61 -0.06 0.00 -1.55 0.00 0.00 70.33 67.60 2kbn n THR 31 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 2kbn h HIS 32 N 4.34 0.11 0.00 1.09 6.17 -1.92 -3.48 115.15 121.47 2kbn h HIS 32 Ca 0.49 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.57 2kbn h HIS 32 Cb 0.36 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.26 2kbn h HIS 32 CO 1.29 0.14 0.00 -1.91 0.71 0.00 0.00 177.93 178.17 2kbn n GLU 33 N -4.99 0.00 -0.16 5.26 0.00 -1.26 -4.94 120.64 114.55 2kbn n GLU 33 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.18 2kbn n GLU 33 Cb 0.07 0.00 0.16 0.00 0.00 0.00 0.00 31.44 31.67 2kbn n GLU 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kbn n SER 34 N -1.33 2.95 -4.64 4.31 2.88 -1.26 -4.94 113.62 111.60 2kbn n SER 34 Ca 0.00 -1.87 -0.35 0.00 -1.33 0.00 0.00 58.87 55.32 2kbn n SER 34 Cb 0.00 -0.20 -0.10 0.00 -0.75 0.00 0.00 64.21 63.16 2kbn n SER 34 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kbn s ILE 35 N -1.13 4.90 -0.00 2.46 1.01 -1.26 0.10 121.20 127.28 2kbn s ILE 35 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 2kbn s ILE 35 Cb 0.16 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 2kbn s ILE 35 CO 0.22 0.44 -0.00 -1.28 0.00 0.00 0.00 174.94 174.31 2kbn h SER 36 N 6.88 0.00 -4.46 3.58 0.87 -1.46 -3.36 113.55 115.59 2kbn h SER 36 Ca -0.38 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.87 2kbn h SER 36 Cb 1.17 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.94 2kbn h SER 36 CO 0.70 0.02 -0.73 -1.10 -0.53 0.00 0.00 176.83 175.19 2kbn s GLN 37 N -1.04 0.79 -0.03 2.24 -0.21 -1.26 -2.63 119.66 117.52 2kbn s GLN 37 Ca -0.00 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.32 2kbn s GLN 37 Cb 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 33.01 33.51 2kbn s GLN 37 CO 0.01 0.08 -0.11 0.14 -2.12 0.00 0.00 175.29 173.29 2kbn s VAL 38 N -2.24 0.92 0.00 1.09 -7.23 -1.02 -2.61 120.40 109.32 2kbn s VAL 38 Ca 0.03 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2kbn s VAL 38 Cb -0.04 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2kbn s VAL 38 CO -0.00 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 2kbn n GLY 39 N 3.35 1.77 3.26 2.32 0.00 -1.08 -0.78 105.19 114.03 2kbn n GLY 39 Ca -0.19 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 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 2.42 -0.07 0.99 -0.00 -1.11 -0.71 118.68 120.20 2kbn s LEU 40 Ca 0.00 -1.07 0.05 0.00 -0.00 0.00 0.00 54.13 53.11 2kbn s LEU 40 Cb 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 46.19 45.89 2kbn s LEU 40 CO 0.00 -0.40 -0.24 -0.76 -0.00 0.00 0.00 176.35 174.95 2kbn s LEU 41 N -3.20 2.07 0.16 1.48 1.43 -0.05 -3.46 118.68 117.10 2kbn s LEU 41 Ca 0.20 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 2kbn s LEU 41 Cb 0.04 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.81 2kbn s LEU 41 CO 0.03 0.21 0.71 -0.83 0.23 0.00 0.00 176.35 176.70 2kbn s GLY 42 N 0.02 2.78 0.16 -3.19 0.00 0.90 -2.52 107.32 105.47 2kbn s GLY 42 Ca -0.09 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.73 2kbn s GLY 42 CO 0.05 0.68 0.38 -0.35 0.00 0.00 0.00 173.10 173.86 2kbn s ASP 43 N -1.27 -0.10 0.61 1.64 2.15 0.12 -2.63 116.67 117.20 2kbn s ASP 43 Ca 0.36 -0.63 0.39 0.00 0.43 0.00 0.00 52.55 53.10 2kbn s ASP 43 Cb -0.21 0.48 1.94 0.00 -0.30 0.00 0.00 42.92 44.84 2kbn s ASP 43 CO 0.23 -0.93 2.20 -0.08 -0.17 0.00 0.00 175.17 176.43 2kbn h GLU 44 N 2.42 0.00 0.00 4.34 4.81 -1.94 -1.70 114.58 122.50 2kbn h GLU 44 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2kbn h GLU 44 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2kbn h GLU 44 CO 0.45 0.01 -0.75 0.25 -0.73 0.00 0.00 179.01 178.24 2kbn n THR 45 N -3.16 0.11 -0.52 0.32 -2.24 -1.26 -5.06 114.28 102.47 2kbn n THR 45 Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2kbn n THR 45 Cb 0.17 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.43 0.54 3.16 3.38 0.00 -0.64 -4.76 105.19 108.30 2kbn n GLY 46 Ca 0.04 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.46 1.47 0.08 -0.61 1.01 -1.26 -0.70 121.20 117.73 2kbn s ILE 47 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2kbn s ILE 47 Cb 0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2kbn s ILE 47 CO 0.00 0.42 -0.16 -0.51 0.00 0.00 0.00 174.94 174.69 2kbn s ILE 48 N -0.16 1.25 0.40 2.92 2.07 -1.05 -4.94 121.20 121.69 2kbn s ILE 48 Ca 0.01 -1.36 -0.15 0.00 -1.41 0.00 0.00 60.65 57.73 2kbn s ILE 48 Cb -0.10 -1.19 -0.09 0.00 0.13 0.00 0.00 42.46 41.22 2kbn s ILE 48 CO 0.01 -0.19 0.83 -0.54 -1.91 0.00 0.00 174.94 173.14 2kbn s LYS 49 N -1.79 3.98 0.00 3.50 3.01 -1.26 -0.88 119.74 126.31 2kbn s LYS 49 Ca -0.00 0.75 -0.05 0.00 -1.01 0.00 0.00 55.97 55.66 2kbn s LYS 49 Cb -0.10 -2.32 -0.00 0.00 -1.01 0.00 0.00 37.83 34.40 2kbn s LYS 49 CO 0.03 -0.00 0.09 -0.59 0.51 0.00 0.00 175.35 175.39 2kbn s PHE 50 N -2.23 0.07 -0.05 3.18 -0.71 0.11 -2.52 117.98 115.84 2kbn s PHE 50 Ca 0.56 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 56.29 2kbn s PHE 50 Cb -0.10 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.66 2kbn s PHE 50 CO 0.22 -0.23 -0.08 0.99 -1.34 0.00 0.00 175.22 174.78 2kbn s THR 51 N -1.19 0.83 -0.20 -4.49 2.01 -0.99 -2.62 115.64 108.99 2kbn s THR 51 Ca -0.13 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.45 2kbn s THR 51 Cb -0.07 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 2kbn s THR 51 CO 0.01 0.29 0.23 -0.63 -0.69 0.00 0.00 174.62 173.82 2kbn s ILE 52 N 0.78 5.33 -0.21 1.82 1.01 -1.07 -2.33 121.20 126.52 2kbn s ILE 52 Ca -0.13 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 2kbn s ILE 52 Cb -0.15 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2kbn s ILE 52 CO 0.02 0.37 1.02 0.26 0.00 0.00 0.00 174.94 176.61 2kbn s TRP 53 N 0.75 3.36 0.38 3.97 0.52 -1.07 -1.58 118.94 125.26 2kbn s TRP 53 Ca 0.12 1.46 0.06 0.00 0.02 0.00 0.00 56.10 57.76 2kbn s TRP 53 Cb -0.13 -3.24 0.75 0.00 -1.15 0.00 0.00 33.47 29.70 2kbn s TRP 53 CO 0.03 -0.44 1.99 -0.22 0.02 0.00 0.00 176.95 178.33 2kbn h LYS 54 N 7.42 0.55 0.00 4.98 3.64 0.42 -0.22 116.57 133.36 2kbn h LYS 54 Ca -0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2kbn h LYS 54 Cb 1.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2kbn h LYS 54 CO 0.96 0.44 0.08 -1.71 -2.27 0.00 0.00 179.45 176.94 2kbn n ASN 55 N -4.40 0.00 0.06 4.20 2.85 -1.25 0.65 115.26 117.36 2kbn n ASN 55 Ca 0.03 0.30 0.01 0.00 -0.11 0.00 0.00 54.58 54.81 2kbn n ASN 55 Cb 0.12 -0.30 -0.05 0.00 1.24 0.00 0.00 39.78 40.79 2kbn n ASN 55 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbn h ALA 56 N 1.59 0.64 -6.25 5.20 0.00 -1.37 -3.45 119.26 115.62 2kbn h ALA 56 Ca 0.00 -0.70 -0.45 0.00 0.00 0.00 0.00 54.91 53.76 2kbn h ALA 56 Cb 0.16 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kbn h ALA 56 CO 0.00 0.78 -0.85 0.39 0.00 0.00 0.00 179.25 179.57 2kbn n GLU 57 N -2.94 -4.31 -4.00 0.00 -0.58 0.21 -4.69 120.64 104.33 2kbn n GLU 57 Ca -0.07 0.54 -0.28 0.00 -0.42 0.00 0.00 57.16 56.93 2kbn n GLU 57 Cb 0.79 -4.94 -0.05 0.00 -0.57 0.00 0.00 31.44 26.67 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 -6.81 4.07 0.48 -4.62 1.43 -1.26 -5.07 118.68 106.90 2kbn s LEU 58 Ca 0.03 0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 52.97 2kbn s LEU 58 Cb -0.01 -2.68 -0.09 0.00 0.03 0.00 0.00 46.19 43.43 2kbn s LEU 58 CO 0.84 0.10 0.86 -2.65 0.23 0.00 0.00 176.35 175.74 2kbn n PRO 59 N -0.12 1.02 -2.35 1.29 -0.02 -1.26 -4.92 135.00 128.63 2kbn n PRO 59 Ca -0.07 0.37 -0.39 0.00 -2.02 0.00 0.00 63.50 61.39 2kbn n PRO 59 Cb 0.53 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.34 4.37 0.37 2.45 1.43 -1.26 -5.00 118.68 120.70 2kbn s LEU 60 Ca 0.67 2.35 -0.24 0.00 -1.03 0.00 0.00 54.13 55.88 2kbn s LEU 60 Cb -0.52 -3.81 -0.10 0.00 0.03 0.00 0.00 46.19 41.79 2kbn s LEU 60 CO 0.55 -0.42 0.96 -0.76 0.23 0.00 0.00 176.35 176.91 2kbn s LEU 61 N -1.97 4.18 0.23 1.79 1.02 -1.26 -5.04 118.68 117.64 2kbn s LEU 61 Ca 0.51 1.83 -0.14 0.00 0.02 0.00 0.00 54.13 56.34 2kbn s LEU 61 Cb -0.32 -4.21 -0.08 0.00 0.02 0.00 0.00 46.19 41.60 2kbn s LEU 61 CO 0.41 -0.23 0.64 -0.70 0.02 0.00 0.00 176.35 176.49 2kbn s GLU 62 N -2.48 4.00 -0.10 1.70 2.56 -1.26 -5.04 118.70 118.08 2kbn s GLU 62 Ca 0.55 0.56 -0.28 0.00 0.00 0.00 0.00 54.97 55.81 2kbn s GLU 62 Cb -0.16 -2.70 -0.02 0.00 2.00 0.00 0.00 34.13 33.25 2kbn s GLU 62 CO 0.21 0.33 0.93 -1.14 -0.56 0.00 0.00 175.26 175.03 2kbn s GLN 63 N -2.48 4.42 0.00 4.30 -0.44 -1.26 -3.71 119.66 120.49 2kbn s GLN 63 Ca 0.46 1.26 0.00 0.00 -2.50 0.00 0.00 55.36 54.58 2kbn s GLN 63 Cb -0.13 -3.53 0.00 0.00 -1.64 0.00 0.00 33.01 27.71 2kbn s GLN 63 CO 0.19 -0.23 0.00 0.41 0.50 0.00 0.00 175.29 176.16 2kbn n GLY 64 N 3.15 0.90 3.01 2.59 0.00 0.50 -4.99 105.19 110.35 2kbn n GLY 64 Ca 0.06 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.13 0.42 0.32 1.61 0.41 -1.24 -4.91 118.70 112.18 2kbn s GLU 65 Ca 0.00 -0.59 -0.27 0.00 -0.41 0.00 0.00 54.97 53.71 2kbn s GLU 65 Cb 0.00 -0.19 -0.10 0.00 -1.78 0.00 0.00 34.13 32.06 2kbn s GLU 65 CO 0.00 0.03 0.98 -1.12 -0.49 0.00 0.00 175.26 174.66 2kbn s SER 66 N -1.23 7.29 0.00 -0.19 0.01 -1.26 -2.64 113.70 115.68 2kbn s SER 66 Ca -0.09 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.11 2kbn s SER 66 Cb -0.08 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 2kbn s SER 66 CO -0.00 -0.11 -0.01 -0.31 0.41 0.00 0.00 173.24 173.22 2kbn s TYR 67 N -1.49 0.07 -0.26 2.43 2.02 -0.61 -2.51 117.35 117.00 2kbn s TYR 67 Ca 0.49 -0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 57.03 2kbn s TYR 67 Cb -0.22 -0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 2kbn s TYR 67 CO 0.28 -0.03 0.12 -1.17 -1.57 0.00 0.00 175.55 173.18 2kbn s LEU 68 N -0.21 3.67 -0.18 -1.29 2.96 -0.52 -2.59 118.68 120.52 2kbn s LEU 68 Ca -0.02 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 2kbn s LEU 68 Cb -0.01 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kbn s LEU 68 CO -0.00 -0.04 0.03 -0.76 -1.32 0.00 0.00 176.35 174.25 2kbn s LEU 69 N 1.67 3.58 0.03 -0.68 1.43 -0.96 -2.61 118.68 121.14 2kbn s LEU 69 Ca 0.07 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2kbn s LEU 69 Cb -0.15 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2kbn s LEU 69 CO 0.07 0.16 -0.19 -0.13 0.23 0.00 0.00 176.35 176.48 2kbn s ARG 70 N 0.43 1.37 -1.15 1.70 0.52 -1.02 -2.08 118.95 118.72 2kbn s ARG 70 Ca 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.34 2kbn s ARG 70 Cb -0.13 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 33.92 2kbn s ARG 70 CO 0.01 0.37 0.98 0.43 0.02 0.00 0.00 175.30 177.11 2kbn n SER 71 N 2.06 -3.59 -4.97 0.23 7.64 -1.24 -2.57 113.62 111.17 2kbn n SER 71 Ca -0.17 -0.54 -0.21 0.00 1.01 0.00 0.00 58.87 58.97 2kbn n SER 71 Cb 0.54 -4.68 -0.01 0.00 -1.01 0.00 0.00 64.21 59.05 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 -3.31 4.77 -0.02 0.44 -7.23 -1.05 -4.30 120.40 109.69 2kbn s VAL 72 Ca 0.21 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 2kbn s VAL 72 Cb -0.09 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 2kbn s VAL 72 CO 0.66 -0.28 -0.23 0.54 -0.31 0.00 0.00 175.10 175.48 2kbn s VAL 73 N -2.10 1.79 -0.35 1.32 0.11 -1.25 -2.61 120.40 117.32 2kbn s VAL 73 Ca 0.39 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 58.26 2kbn s VAL 73 Cb -0.09 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 2kbn s VAL 73 CO 0.31 0.51 0.69 -0.69 -3.33 0.00 0.00 175.10 172.59 2kbn s VAL 74 N -0.48 4.84 0.09 2.04 1.01 -0.96 -2.02 120.40 124.92 2kbn s VAL 74 Ca 0.07 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2kbn s VAL 74 Cb -0.09 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2kbn s VAL 74 CO -0.00 -0.32 0.25 -0.83 0.00 0.00 0.00 175.10 174.20 2kbn s GLY 75 N 1.77 2.06 0.26 4.51 0.00 -0.77 0.04 107.32 115.19 2kbn s GLY 75 Ca 0.27 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 2kbn s GLY 75 CO 0.15 -0.85 1.31 -0.54 0.00 0.00 0.00 173.10 173.16 2kbn s GLU 76 N -2.73 4.39 -0.07 2.90 2.02 -1.26 -2.52 118.70 121.42 2kbn s GLU 76 Ca 0.35 2.13 0.01 0.00 0.02 0.00 0.00 54.97 57.48 2kbn s GLU 76 Cb -0.12 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.99 2kbn s GLU 76 CO 0.28 -0.20 -0.08 -0.47 0.02 0.00 0.00 175.26 174.81 2kbn s TYR 77 N -0.51 1.20 0.43 1.61 5.04 -0.25 -4.87 117.35 120.00 2kbn s TYR 77 Ca 0.53 -0.47 0.38 0.00 -2.44 0.00 0.00 57.07 55.07 2kbn s TYR 77 Cb -0.38 -0.98 1.33 0.00 0.35 0.00 0.00 41.96 42.28 2kbn s TYR 77 CO 0.45 -0.32 1.21 0.09 -1.34 0.00 0.00 175.55 175.63 2kbn n ASN 78 N 4.31 0.01 -3.52 4.32 5.03 -1.26 -0.46 115.26 123.68 2kbn n ASN 78 Ca -0.19 0.78 -0.32 0.00 0.87 0.00 0.00 54.58 55.72 2kbn n ASN 78 Cb 0.51 -0.39 -0.04 0.00 -1.02 0.00 0.00 39.78 38.83 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 -3.52 4.83 0.00 6.41 8.00 -1.26 -5.05 116.55 125.97 2kbn n ASP 79 Ca 0.34 -3.49 0.00 0.00 0.71 0.00 0.00 54.79 52.35 2kbn n ASP 79 Cb 1.55 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2kbn n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kbn n ARG 80 N 0.74 0.00 -4.01 -1.24 1.74 0.39 -4.92 116.66 109.36 2kbn n ARG 80 Ca 0.30 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.09 2kbn n ARG 80 Cb 0.38 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.00 3.30 0.18 -1.55 0.08 -1.26 -1.09 117.98 117.64 2kbn s PHE 81 Ca 0.00 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.16 2kbn s PHE 81 Cb 0.00 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2kbn s PHE 81 CO 0.00 0.54 0.05 1.14 -0.10 0.00 0.00 175.22 176.85 2kbn s GLN 82 N -2.71 1.14 -0.17 0.44 -2.07 -1.05 -4.50 119.66 110.75 2kbn s GLN 82 Ca 0.32 -1.57 -0.06 0.00 -1.82 0.00 0.00 55.36 52.23 2kbn s GLN 82 Cb -0.12 -0.08 -0.04 0.00 -1.09 0.00 0.00 33.01 31.68 2kbn s GLN 82 CO 0.25 -0.23 0.02 0.14 -1.32 0.00 0.00 175.29 174.15 2kbn s VAL 83 N -3.83 4.43 -0.16 3.63 -7.23 -1.05 -1.85 120.40 114.34 2kbn s VAL 83 Ca 0.29 -0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 60.24 2kbn s VAL 83 Cb 0.07 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 2kbn s VAL 83 CO 0.06 0.48 0.01 -1.10 -0.31 0.00 0.00 175.10 174.25 2kbn s GLN 84 N 0.29 3.73 -0.10 4.82 -0.21 -0.85 -2.35 119.66 124.99 2kbn s GLN 84 Ca 0.01 -0.43 -0.18 0.00 0.02 0.00 0.00 55.36 54.78 2kbn s GLN 84 Cb -0.13 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 2kbn s GLN 84 CO 0.01 0.31 0.48 0.08 -2.12 0.00 0.00 175.29 174.05 2kbn s VAL 85 N 0.21 5.15 0.41 1.09 1.01 -0.99 -3.79 120.40 123.50 2kbn s VAL 85 Ca 0.01 0.96 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2kbn s VAL 85 Cb -0.13 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2kbn s VAL 85 CO 0.02 0.36 0.07 0.20 0.00 0.00 0.00 175.10 175.75 2kbn s ASN 86 N 0.40 3.09 0.21 3.32 0.01 -1.26 -2.61 114.94 118.10 2kbn s ASN 86 Ca 0.26 -1.57 -0.09 0.00 -0.71 0.00 0.00 52.86 50.75 2kbn s ASN 86 Cb -0.15 0.29 0.25 0.00 0.41 0.00 0.00 41.25 42.04 2kbn s ASN 86 CO 0.11 -0.79 1.81 0.50 -1.51 0.00 0.00 177.10 177.21 2kbn h LYS 87 N 1.76 0.66 -0.26 -0.60 3.64 -1.87 -1.50 116.57 118.41 2kbn h LYS 87 Ca -0.39 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 2kbn h LYS 87 Cb 1.27 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2kbn h LYS 87 CO 0.66 0.44 -0.04 -0.91 -2.27 0.00 0.00 179.45 177.33 2kbn h ASN 88 N 0.68 0.37 -4.07 4.20 -0.26 -1.95 -3.43 115.58 111.12 2kbn h ASN 88 Ca 0.30 -0.07 -0.55 0.00 -0.56 0.00 0.00 56.30 55.42 2kbn h ASN 88 Cb 0.20 -0.10 0.14 0.00 -1.06 0.00 0.00 38.32 37.50 2kbn h ASN 88 CO -0.19 0.46 0.58 -0.44 -1.06 0.00 0.00 177.43 176.79 2kbn s SER 89 N -6.80 5.08 0.09 5.81 0.01 -0.57 -4.93 113.70 112.40 2kbn s SER 89 Ca -0.07 2.72 0.07 0.00 1.31 0.00 0.00 55.95 59.98 2kbn s SER 89 Cb 0.16 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kbn s SER 89 CO 0.75 -1.69 -0.11 -0.44 0.41 0.00 0.00 173.24 172.16 2kbn s SER 90 N -1.09 4.33 -0.05 2.44 0.01 -1.06 -4.83 113.70 113.45 2kbn s SER 90 Ca 0.75 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.64 2kbn s SER 90 Cb -0.39 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.03 2kbn s SER 90 CO 0.45 0.19 -0.09 -0.63 0.41 0.00 0.00 173.24 173.57 2kbn s ILE 91 N -1.17 0.86 -0.03 1.44 1.01 -1.26 -2.43 121.20 119.62 2kbn s ILE 91 Ca 0.20 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2kbn s ILE 91 Cb -0.11 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.57 2kbn s ILE 91 CO 0.12 0.29 -0.07 -1.61 0.00 0.00 0.00 174.94 173.67 2kbn s GLU 92 N 0.61 0.94 -0.14 2.79 0.41 -1.07 -4.95 118.70 117.29 2kbn s GLU 92 Ca -0.11 -0.23 -0.27 0.00 -0.41 0.00 0.00 54.97 53.95 2kbn s GLU 92 Cb -0.14 -0.88 -0.01 0.00 -1.78 0.00 0.00 34.13 31.32 2kbn s GLU 92 CO 0.02 0.04 0.90 0.21 -0.49 0.00 0.00 175.26 175.94 2kbn s LYS 93 N 0.46 4.36 -0.09 1.61 2.20 -1.26 -1.44 119.74 125.57 2kbn s LYS 93 Ca -0.07 1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 56.60 2kbn s LYS 93 Cb -0.11 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 2kbn s LYS 93 CO 0.01 -0.30 0.26 -0.51 -0.36 0.00 0.00 175.35 174.45 2kbn s LEU 94 N 2.02 4.37 0.00 5.43 2.01 -1.04 -4.96 118.68 126.51 2kbn s LEU 94 Ca 0.43 0.63 0.29 0.00 0.01 0.00 0.00 54.13 55.49 2kbn s LEU 94 Cb -0.17 -2.31 1.36 0.00 0.01 0.00 0.00 46.19 45.08 2kbn s LEU 94 CO 0.15 0.29 1.95 -1.54 1.01 0.00 0.00 176.35 178.21 2kbn n SER 95 N 2.40 0.23 -4.40 2.29 3.41 -1.26 -4.39 113.62 111.91 2kbn n SER 95 Ca -0.16 -0.36 -0.41 0.00 -0.26 0.00 0.00 58.87 57.68 2kbn n SER 95 Cb 0.53 -0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.53 2.85 0.68 4.33 2.02 -1.26 -5.08 118.70 119.71 2kbn s GLU 96 Ca 0.28 -1.08 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 2kbn s GLU 96 Cb 0.20 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.62 2kbn s GLU 96 CO 0.47 -0.73 1.06 -1.25 0.02 0.00 0.00 175.26 174.84 2kbn s PRO 97 N 1.59 2.98 -0.22 0.39 0.04 -1.26 -4.84 135.00 133.67 2kbn s PRO 97 Ca 0.03 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 2kbn s PRO 97 Cb -0.19 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2kbn s PRO 97 CO 0.08 -1.07 0.18 0.42 0.04 0.00 0.00 177.00 176.65 2kbn s ILE 98 N -2.98 5.35 -0.16 0.56 1.01 -1.26 -5.05 121.20 118.67 2kbn s ILE 98 Ca 0.59 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 2kbn s ILE 98 Cb -0.14 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2kbn s ILE 98 CO 0.53 0.37 1.11 -1.61 0.00 0.00 0.00 174.94 175.33 2kbn s GLU 99 N 0.85 4.31 -0.01 2.79 2.02 -1.26 -4.88 118.70 122.52 2kbn s GLU 99 Ca 0.09 1.48 0.14 0.00 0.02 0.00 0.00 54.97 56.71 2kbn s GLU 99 Cb -0.13 -3.63 -0.17 0.00 0.10 0.00 0.00 34.13 30.30 2kbn s GLU 99 CO 0.03 -0.54 0.51 0.28 0.02 0.00 0.00 175.26 175.56 2kbn n VAL 100 N 5.03 0.00 0.00 2.63 0.31 -1.26 -4.84 118.33 120.21 2kbn n VAL 100 Ca 0.11 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2kbn n VAL 100 Cb 0.46 0.77 0.00 0.00 -0.91 0.00 0.00 33.84 34.17 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 1.43 -0.63 0.23 2.92 0.00 -1.26 -4.75 105.19 103.12 2kbn n GLY 101 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2kbn n GLY 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kbn h LEU 102 N 0.00 0.68 -8.76 0.99 5.85 -1.95 -3.40 115.31 108.72 2kbn h LEU 102 Ca 0.00 -0.15 -0.64 0.00 0.84 0.00 0.00 57.88 57.92 2kbn h LEU 102 Cb 0.00 -0.18 -0.15 0.00 0.37 0.00 0.00 40.66 40.71 2kbn h LEU 102 CO 0.00 0.64 -0.00 -0.70 -0.34 0.00 0.00 178.44 178.04 2kbn s GLU 103 N -5.61 3.62 0.12 1.25 2.12 -1.26 -4.90 118.70 114.04 2kbn s GLU 103 Ca -0.13 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.08 2kbn s GLU 103 Cb 0.12 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2kbn s GLU 103 CO 0.77 -0.67 0.00 1.58 -0.54 0.00 0.00 175.26 176.40 2kbn n HIS 104 N 5.82 0.00 -3.92 5.30 -0.00 -1.26 -4.51 115.22 116.65 2kbn n HIS 104 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.59 2kbn n HIS 104 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.43 2kbn n HIS 104 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kbn s HIS 105 N 0.00 0.23 1.07 1.57 3.76 -1.26 -4.94 115.29 115.71 2kbn s HIS 105 Ca 0.00 -0.59 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 2kbn s HIS 105 Cb 0.00 0.20 0.23 0.00 1.11 0.00 0.00 32.58 34.12 2kbn s HIS 105 CO 0.00 -0.92 1.08 -1.58 -0.85 0.00 0.00 174.74 172.47 2kbn s HIS 106 N -3.97 1.40 -0.74 1.40 2.46 -1.26 -2.23 115.29 112.35 2kbn s HIS 106 Ca 0.17 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.18 2kbn s HIS 106 Cb 0.00 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 29.24 2kbn s HIS 106 CO 0.04 -3.49 0.00 1.58 -2.47 0.00 0.00 174.74 170.39 2kbn n HIS 107 N -4.69 -0.32 0.00 3.88 -0.00 -1.26 -4.66 115.22 108.17 2kbn n HIS 107 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2kbn n HIS 107 Cb 0.53 -1.92 0.00 0.00 -0.00 0.00 0.00 29.99 28.60 2kbn n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kbn n HIS 108 N -1.46 0.00 -0.67 1.57 -0.00 -0.95 -5.26 115.22 108.46 2kbn n HIS 108 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2kbn n HIS 108 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 2kbn n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92