#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 -0.54 -2.30 0.03 1.02 -1.26 -4.89 120.64 112.70 2kbn n GLU 2 Ca 0.00 0.11 -0.34 0.00 -0.02 0.00 0.00 57.16 56.91 2kbn n GLU 2 Cb 0.00 -2.90 -0.01 0.00 -0.02 0.00 0.00 31.44 28.51 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2kbn s PRO 3 N -7.31 3.50 -0.86 3.49 0.04 -1.26 -4.94 135.00 127.67 2kbn s PRO 3 Ca 0.39 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2kbn s PRO 3 Cb -0.21 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2kbn s PRO 3 CO 0.97 -0.69 1.67 -1.14 0.04 0.00 0.00 177.00 177.85 2kbn s GLN 4 N -3.49 2.99 -0.06 4.56 0.74 -1.26 -4.96 119.66 118.18 2kbn s GLN 4 Ca 0.68 -0.37 -0.25 0.00 0.05 0.00 0.00 55.36 55.47 2kbn s GLN 4 Cb -0.19 -4.89 -0.03 0.00 1.10 0.00 0.00 33.01 29.00 2kbn s GLN 4 CO 0.27 -2.70 0.77 -0.51 -0.55 0.00 0.00 175.29 172.57 2kbn s LEU 5 N 7.62 4.32 -0.06 3.68 1.43 -1.26 -1.67 118.68 132.73 2kbn s LEU 5 Ca 0.56 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 2kbn s LEU 5 Cb -0.06 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.97 2kbn s LEU 5 CO 0.03 -0.17 -0.14 -0.89 0.23 0.00 0.00 176.35 175.41 2kbn s THR 6 N 0.95 1.24 0.51 5.49 2.01 -1.00 -4.91 115.64 119.93 2kbn s THR 6 Ca 0.41 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 2kbn s THR 6 Cb -0.18 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2kbn s THR 6 CO 0.20 0.37 0.87 -0.54 -0.69 0.00 0.00 174.62 174.84 2kbn s LYS 7 N 0.51 3.63 0.16 4.92 1.02 -1.26 -4.65 119.74 124.07 2kbn s LYS 7 Ca -0.13 0.47 -0.13 0.00 0.02 0.00 0.00 55.97 56.20 2kbn s LYS 7 Cb -0.15 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2kbn s LYS 7 CO 0.04 -0.30 1.73 0.82 -0.92 0.00 0.00 175.35 176.72 2kbn h ILE 8 N 0.24 1.21 0.00 2.17 2.04 -1.96 -1.78 117.51 119.43 2kbn h ILE 8 Ca -0.46 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2kbn h ILE 8 Cb 1.20 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2kbn h ILE 8 CO 0.62 0.24 -0.07 1.62 0.00 0.00 0.00 178.15 180.55 2kbn h VAL 9 N 0.71 0.25 0.00 1.67 3.04 -1.94 -1.32 116.25 118.65 2kbn h VAL 9 Ca 0.18 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2kbn h VAL 9 Cb 0.16 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2kbn h VAL 9 CO -0.02 0.07 0.00 -0.67 -1.01 0.00 0.00 177.57 175.94 2kbn n ASP 10 N -3.28 0.00 -4.63 3.17 2.03 -0.67 -4.69 116.55 108.47 2kbn n ASP 10 Ca -0.01 -0.27 -0.43 0.00 0.52 0.00 0.00 54.79 54.61 2kbn n ASP 10 Cb 0.28 -0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kbn s ILE 11 N -2.42 4.51 -0.00 5.18 1.01 -0.50 -4.81 121.20 124.17 2kbn s ILE 11 Ca 0.28 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.61 2kbn s ILE 11 Cb 0.17 -4.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 2kbn s ILE 11 CO 0.35 -0.49 0.01 1.33 0.00 0.00 0.00 174.94 176.14 2kbn n VAL 12 N 5.90 0.00 -3.93 2.92 0.24 -1.26 -5.03 118.33 117.16 2kbn n VAL 12 Ca 0.11 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.28 2kbn n VAL 12 Cb 0.47 0.49 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.03 0.11 0.63 7.34 -1.05 -1.26 -5.16 118.70 117.29 2kbn s GLU 13 Ca -0.00 -0.13 -0.06 0.00 -0.15 0.00 0.00 54.97 54.63 2kbn s GLU 13 Cb 0.00 -0.05 0.03 0.00 -0.44 0.00 0.00 34.13 33.67 2kbn s GLU 13 CO 0.02 0.01 0.94 0.54 0.95 0.00 0.00 175.26 177.72 2kbn s ASN 14 N -0.26 5.28 0.00 0.83 2.20 -1.26 -4.07 114.94 117.66 2kbn s ASN 14 Ca -0.02 0.59 0.00 0.00 -0.94 0.00 0.00 52.86 52.49 2kbn s ASN 14 Cb -0.02 -1.44 0.00 0.00 -2.00 0.00 0.00 41.25 37.79 2kbn s ASN 14 CO -0.00 -1.28 0.00 0.61 -2.94 0.00 0.00 177.10 173.49 2kbn n GLY 15 N -2.71 0.84 3.82 0.45 0.00 0.97 -4.95 105.19 103.60 2kbn n GLY 15 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 4.26 -0.12 1.61 -2.07 -1.26 -4.70 119.66 117.35 2kbn s GLN 16 Ca 0.00 0.92 -0.06 0.00 -1.82 0.00 0.00 55.36 54.40 2kbn s GLN 16 Cb 0.00 -2.76 -0.04 0.00 -1.09 0.00 0.00 33.01 29.12 2kbn s GLN 16 CO 0.00 0.32 0.10 -1.58 -1.32 0.00 0.00 175.29 172.81 2kbn s TRP 17 N -1.65 3.46 -0.00 9.60 0.52 -1.26 -2.39 118.94 127.22 2kbn s TRP 17 Ca 0.47 0.41 -0.00 0.00 0.02 0.00 0.00 56.10 56.99 2kbn s TRP 17 Cb -0.15 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 2kbn s TRP 17 CO 0.20 0.61 0.01 0.00 0.02 0.00 0.00 176.95 177.80 2kbn n ALA 18 N 2.20 -0.03 -2.70 0.98 0.00 -1.07 -4.98 120.51 114.91 2kbn n ALA 18 Ca -0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 2kbn n ALA 18 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.02 5.09 -0.05 0.00 0.02 -0.67 -2.66 114.94 115.64 2kbn s ASN 19 Ca 0.00 -0.14 -0.01 0.00 -1.02 0.00 0.00 52.86 51.69 2kbn s ASN 19 Cb -0.00 -1.24 0.03 0.00 0.02 0.00 0.00 41.25 40.06 2kbn s ASN 19 CO -0.00 0.18 0.03 -0.22 0.02 0.00 0.00 177.10 177.11 2kbn s LEU 20 N -2.26 0.47 -0.07 0.60 1.98 -0.94 -2.39 118.68 116.08 2kbn s LEU 20 Ca 0.26 -0.01 0.01 0.00 -2.89 0.00 0.00 54.13 51.50 2kbn s LEU 20 Cb -0.12 -0.29 -0.03 0.00 0.66 0.00 0.00 46.19 46.42 2kbn s LEU 20 CO 0.18 -0.21 -0.07 -0.75 -1.89 0.00 0.00 176.35 173.62 2kbn s LYS 21 N 1.94 2.76 0.08 1.98 2.20 -1.26 -2.10 119.74 125.34 2kbn s LYS 21 Ca 0.03 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 55.01 2kbn s LYS 21 Cb -0.12 -2.59 0.03 0.00 -1.51 0.00 0.00 37.83 33.63 2kbn s LYS 21 CO -0.04 0.65 0.41 0.00 -0.36 0.00 0.00 175.35 176.02 2kbn n ALA 22 N 2.25 -1.07 -2.40 3.13 0.00 -1.09 -4.94 120.51 116.40 2kbn n ALA 22 Ca -0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 2kbn n ALA 22 Cb 0.53 0.25 -0.14 0.00 0.00 0.00 0.00 19.45 20.09 2kbn n ALA 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kbn s LYS 23 N -2.02 1.97 -0.19 0.00 2.20 -0.43 -1.72 119.74 119.54 2kbn s LYS 23 Ca 0.09 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.38 2kbn s LYS 23 Cb -0.01 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 2kbn s LYS 23 CO 0.02 0.53 1.09 0.08 -0.36 0.00 0.00 175.35 176.72 2kbn s VAL 24 N -0.84 4.59 -0.24 4.02 1.01 -1.09 -0.17 120.40 127.68 2kbn s VAL 24 Ca 0.13 1.91 -0.17 0.00 0.00 0.00 0.00 61.98 63.85 2kbn s VAL 24 Cb -0.10 -4.23 -0.16 0.00 0.00 0.00 0.00 36.38 31.88 2kbn s VAL 24 CO 0.03 -0.14 -0.04 -0.38 0.00 0.00 0.00 175.10 174.57 2kbn n ILE 25 N 5.21 1.54 -3.66 2.22 2.08 -1.16 -2.44 119.36 123.15 2kbn n ILE 25 Ca 0.12 -0.24 -0.15 0.00 0.56 0.00 0.00 62.75 63.04 2kbn n ILE 25 Cb 0.46 -1.93 -0.08 0.00 -0.75 0.00 0.00 39.64 37.34 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2kbn s GLN 26 N -2.44 0.82 0.05 0.38 0.74 -1.25 -4.83 119.66 113.14 2kbn s GLN 26 Ca -0.33 0.02 0.09 0.00 0.05 0.00 0.00 55.36 55.19 2kbn s GLN 26 Cb 0.10 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.56 2kbn s GLN 26 CO 0.56 -0.24 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.30 2kbn s LEU 27 N -1.22 2.19 -0.20 3.68 1.43 -1.26 -2.69 118.68 120.59 2kbn s LEU 27 Ca -0.12 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2kbn s LEU 27 Cb -0.03 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2kbn s LEU 27 CO 0.06 0.23 -0.03 0.86 0.23 0.00 0.00 176.35 177.70 2kbn s TRP 28 N -0.84 1.84 0.27 0.29 -0.11 0.17 -4.96 118.94 115.60 2kbn s TRP 28 Ca 0.11 -1.33 -0.30 0.00 1.22 0.00 0.00 56.10 55.81 2kbn s TRP 28 Cb -0.10 -1.36 -0.10 0.00 -1.50 0.00 0.00 33.47 30.41 2kbn s TRP 28 CO 0.02 -0.69 1.43 -2.00 -4.62 0.00 0.00 176.95 171.10 2kbn s GLU 29 N 1.58 4.26 -0.23 5.86 2.56 -1.26 -0.79 118.70 130.68 2kbn s GLU 29 Ca -0.03 2.32 -0.12 0.00 0.00 0.00 0.00 54.97 57.14 2kbn s GLU 29 Cb -0.17 -3.09 -0.10 0.00 2.00 0.00 0.00 34.13 32.76 2kbn s GLU 29 CO -0.07 -0.41 -0.30 -1.71 -0.56 0.00 0.00 175.26 172.21 2kbn n ASN 30 N 2.05 1.63 0.00 -1.70 2.85 -1.04 -4.83 115.26 114.22 2kbn n ASN 30 Ca 0.06 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 2kbn n ASN 30 Cb 0.40 -0.68 0.00 0.00 1.24 0.00 0.00 39.78 40.74 2kbn n ASN 30 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2kbn n THR 31 N -4.04 0.00 -2.87 -0.44 -1.04 -1.10 -4.92 114.28 99.87 2kbn n THR 31 Ca -0.45 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.15 2kbn n THR 31 Cb 0.82 -0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 69.09 2kbn n THR 31 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2kbn s HIS 32 N -1.82 3.54 0.75 -1.42 5.04 -1.24 -5.00 115.29 115.15 2kbn s HIS 32 Ca 0.00 1.41 -0.17 0.00 -1.54 0.00 0.00 55.06 54.76 2kbn s HIS 32 Cb 0.00 -3.00 -0.15 0.00 0.04 0.00 0.00 32.58 29.48 2kbn s HIS 32 CO 0.00 -0.07 -0.46 0.39 -2.34 0.00 0.00 174.74 172.26 2kbn n GLU 33 N 4.39 0.00 0.00 2.88 1.02 -1.26 -1.56 120.64 126.11 2kbn n GLU 33 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2kbn n GLU 33 Cb 0.50 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 2kbn n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kbn n SER 34 N 2.98 0.00 -4.49 1.62 2.88 -1.26 -4.86 113.62 110.49 2kbn n SER 34 Ca 0.03 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.23 2kbn n SER 34 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.00 3.90 -0.02 2.46 1.01 -0.60 -3.78 121.20 124.16 2kbn s ILE 35 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2kbn s ILE 35 Cb 0.00 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 2kbn s ILE 35 CO 0.00 0.48 -0.02 -1.28 0.00 0.00 0.00 174.94 174.12 2kbn h SER 36 N 6.85 0.00 -4.50 3.58 0.87 -0.58 -3.28 113.55 116.49 2kbn h SER 36 Ca -0.32 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.88 2kbn h SER 36 Cb 1.19 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.92 2kbn h SER 36 CO 0.63 0.10 -0.76 -1.10 -0.53 0.00 0.00 176.83 175.17 2kbn s GLN 37 N -1.16 0.70 -0.04 2.24 -0.21 -1.19 -2.48 119.66 117.52 2kbn s GLN 37 Ca -0.02 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.63 2kbn s GLN 37 Cb 0.00 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.39 2kbn s GLN 37 CO 0.02 0.14 -0.13 0.08 -2.12 0.00 0.00 175.29 173.28 2kbn s VAL 38 N -1.11 1.12 0.00 1.09 1.01 0.03 -1.34 120.40 121.19 2kbn s VAL 38 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2kbn s VAL 38 Cb -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2kbn s VAL 38 CO 0.01 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2kbn n GLY 39 N 3.33 2.93 2.93 4.51 0.00 -1.10 0.42 105.19 118.21 2kbn n GLY 39 Ca -0.19 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 2.12 -0.10 0.99 2.34 -1.10 -2.39 118.68 120.54 2kbn s LEU 40 Ca 0.00 -0.27 0.02 0.00 0.06 0.00 0.00 54.13 53.94 2kbn s LEU 40 Cb 0.00 0.07 -0.02 0.00 -0.56 0.00 0.00 46.19 45.68 2kbn s LEU 40 CO 0.00 -0.17 -0.15 -0.76 -1.06 0.00 0.00 176.35 174.21 2kbn s LEU 41 N -0.80 2.62 0.02 1.48 1.43 -0.66 -2.99 118.68 119.77 2kbn s LEU 41 Ca -0.09 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 2kbn s LEU 41 Cb -0.05 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 2kbn s LEU 41 CO -0.01 0.22 0.42 -0.83 0.23 0.00 0.00 176.35 176.39 2kbn s GLY 42 N 0.02 2.49 0.09 -3.19 0.00 0.76 -2.74 107.32 104.74 2kbn s GLY 42 Ca -0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 2kbn s GLY 42 CO 0.04 0.15 0.24 -0.35 0.00 0.00 0.00 173.10 173.18 2kbn s ASP 43 N -1.15 0.03 0.58 1.64 2.15 -0.79 -1.32 116.67 117.81 2kbn s ASP 43 Ca 0.25 -0.53 0.36 0.00 0.43 0.00 0.00 52.55 53.06 2kbn s ASP 43 Cb -0.17 0.36 1.68 0.00 -0.30 0.00 0.00 42.92 44.50 2kbn s ASP 43 CO 0.14 -0.73 2.11 -0.08 -0.17 0.00 0.00 175.17 176.44 2kbn h GLU 44 N 2.78 0.00 0.00 4.34 4.81 -1.95 -1.29 114.58 123.27 2kbn h GLU 44 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2kbn h GLU 44 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2kbn h GLU 44 CO 0.53 0.02 0.00 0.25 -0.73 0.00 0.00 179.01 179.08 2kbn n THR 45 N -3.16 0.05 0.00 0.32 -2.24 -1.26 -5.01 114.28 102.99 2kbn n THR 45 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2kbn n THR 45 Cb 0.23 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 1.44 0.97 3.38 3.38 0.00 -0.49 -4.39 105.19 109.48 2kbn n GLY 46 Ca 0.07 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.47 2.97 0.00 -0.61 -1.09 -1.26 -1.88 121.20 116.87 2kbn s ILE 47 Ca 0.00 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2kbn s ILE 47 Cb 0.00 -2.22 -0.01 0.00 -1.58 0.00 0.00 42.46 38.65 2kbn s ILE 47 CO 0.00 0.54 -0.09 -0.51 -1.23 0.00 0.00 174.94 173.65 2kbn s ILE 48 N 0.13 0.69 0.36 2.92 2.07 -1.11 -5.03 121.20 121.22 2kbn s ILE 48 Ca -0.07 -0.48 -0.05 0.00 -1.41 0.00 0.00 60.65 58.65 2kbn s ILE 48 Cb -0.15 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 2kbn s ILE 48 CO 0.05 0.12 0.64 -0.54 -1.91 0.00 0.00 174.94 173.29 2kbn s LYS 49 N -0.40 3.60 0.09 3.50 1.02 -1.26 -1.65 119.74 124.64 2kbn s LYS 49 Ca 0.02 0.05 -0.08 0.00 0.02 0.00 0.00 55.97 55.98 2kbn s LYS 49 Cb -0.04 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2kbn s LYS 49 CO -0.00 0.07 0.17 -0.59 -0.92 0.00 0.00 175.35 174.08 2kbn s PHE 50 N -2.32 0.23 -0.01 3.18 -0.71 -1.01 -2.18 117.98 115.16 2kbn s PHE 50 Ca 0.45 -0.67 -0.02 0.00 -1.04 0.00 0.00 56.93 55.66 2kbn s PHE 50 Cb -0.10 -0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.60 2kbn s PHE 50 CO 0.35 -0.54 0.04 -0.08 -1.34 0.00 0.00 175.22 173.65 2kbn s THR 51 N -3.88 0.01 -0.20 -4.49 -1.32 -1.07 -2.70 115.64 101.99 2kbn s THR 51 Ca 0.06 -0.12 -0.06 0.00 -1.21 0.00 0.00 61.69 60.36 2kbn s THR 51 Cb 0.05 -0.10 -0.03 0.00 -1.51 0.00 0.00 72.50 70.91 2kbn s THR 51 CO -0.10 -0.07 0.03 -0.63 -2.21 0.00 0.00 174.62 171.65 2kbn s ILE 52 N -0.18 4.27 0.02 5.08 1.01 -0.45 -1.09 121.20 129.85 2kbn s ILE 52 Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2kbn s ILE 52 Cb -0.02 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2kbn s ILE 52 CO 0.00 0.42 0.19 0.26 0.00 0.00 0.00 174.94 175.82 2kbn s TRP 53 N 0.88 3.54 -1.23 3.97 0.52 -0.90 0.05 118.94 125.76 2kbn s TRP 53 Ca 0.02 0.32 0.11 0.00 0.02 0.00 0.00 56.10 56.57 2kbn s TRP 53 Cb -0.14 -1.80 0.50 0.00 -1.15 0.00 0.00 33.47 30.88 2kbn s TRP 53 CO 0.02 0.63 1.28 1.63 0.02 0.00 0.00 176.95 180.53 2kbn n LYS 54 N 0.70 0.08 0.00 4.98 5.02 -1.25 -3.16 118.16 124.53 2kbn n LYS 54 Ca -0.09 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2kbn n LYS 54 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2kbn n LYS 54 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kbn n ASN 55 N -1.38 1.44 0.00 4.39 3.02 -1.26 -3.01 115.26 118.46 2kbn n ASN 55 Ca 0.04 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 2kbn n ASN 55 Cb 0.10 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2kbn n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbn n ALA 56 N 0.54 0.92 -3.28 5.41 0.00 -1.19 -1.70 120.51 121.21 2kbn n ALA 56 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2kbn n ALA 56 Cb 0.26 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.75 2kbn n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kbn n GLU 57 N -1.43 -1.81 -4.03 0.00 1.02 -1.16 -4.95 120.64 108.28 2kbn n GLU 57 Ca 0.00 0.98 -0.24 0.00 -0.02 0.00 0.00 57.16 57.88 2kbn n GLU 57 Cb 0.00 -5.44 -0.04 0.00 -0.02 0.00 0.00 31.44 25.94 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kbn s LEU 58 N -5.15 4.07 0.59 -4.62 1.43 -1.26 -5.08 118.68 108.66 2kbn s LEU 58 Ca 0.32 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.20 2kbn s LEU 58 Cb -0.06 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 2kbn s LEU 58 CO 0.77 0.01 0.97 -2.65 0.23 0.00 0.00 176.35 175.67 2kbn n PRO 59 N -0.83 0.93 -2.06 1.29 -0.02 -1.26 -4.92 135.00 128.13 2kbn n PRO 59 Ca -0.08 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 2kbn n PRO 59 Cb 0.56 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.93 4.40 0.29 2.45 1.43 -1.26 -4.98 118.68 119.08 2kbn s LEU 60 Ca 0.75 2.75 -0.28 0.00 -1.03 0.00 0.00 54.13 56.32 2kbn s LEU 60 Cb -0.42 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 2kbn s LEU 60 CO 0.48 -0.60 1.00 -0.76 0.23 0.00 0.00 176.35 176.69 2kbn s LEU 61 N -1.87 4.48 0.26 1.79 1.02 -1.26 -5.04 118.68 118.06 2kbn s LEU 61 Ca 0.50 2.01 -0.10 0.00 0.02 0.00 0.00 54.13 56.57 2kbn s LEU 61 Cb -0.41 -3.79 -0.07 0.00 0.02 0.00 0.00 46.19 41.94 2kbn s LEU 61 CO 0.55 -0.06 0.58 -1.61 0.02 0.00 0.00 176.35 175.83 2kbn s GLU 62 N -1.63 3.80 0.30 1.70 2.02 -1.26 -5.06 118.70 118.57 2kbn s GLU 62 Ca 0.46 0.30 -0.23 0.00 0.02 0.00 0.00 54.97 55.52 2kbn s GLU 62 Cb -0.25 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.28 2kbn s GLU 62 CO 0.32 0.27 0.87 -0.65 0.02 0.00 0.00 175.26 176.08 2kbn s GLN 63 N -2.99 4.43 -0.87 1.61 -1.52 -1.26 -3.92 119.66 115.14 2kbn s GLN 63 Ca 0.48 1.14 -0.01 0.00 -1.95 0.00 0.00 55.36 55.02 2kbn s GLN 63 Cb -0.11 -2.75 0.00 0.00 -0.22 0.00 0.00 33.01 29.93 2kbn s GLN 63 CO 0.22 0.28 0.08 0.41 -0.25 0.00 0.00 175.29 176.03 2kbn n GLY 64 N 0.45 -0.03 3.04 3.09 0.00 -1.02 -5.00 105.19 105.72 2kbn n GLY 64 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.68 0.50 0.41 1.61 2.02 -1.25 -4.93 118.70 112.38 2kbn s GLU 65 Ca 0.04 -0.62 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 2kbn s GLU 65 Cb -0.02 -0.31 -0.11 0.00 0.10 0.00 0.00 34.13 33.79 2kbn s GLU 65 CO 0.05 0.06 0.92 -1.12 0.02 0.00 0.00 175.26 175.20 2kbn s SER 66 N -1.24 6.94 -0.04 -0.19 0.01 -1.26 -2.68 113.70 115.24 2kbn s SER 66 Ca -0.07 1.65 -0.05 0.00 1.31 0.00 0.00 55.95 58.78 2kbn s SER 66 Cb -0.08 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.64 2kbn s SER 66 CO 0.00 -0.33 0.14 -0.31 0.41 0.00 0.00 173.24 173.15 2kbn s TYR 67 N -2.13 -0.10 -0.23 2.43 2.02 -0.70 -2.49 117.35 116.16 2kbn s TYR 67 Ca 0.60 0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 57.49 2kbn s TYR 67 Cb -0.10 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.47 2kbn s TYR 67 CO 0.14 -0.13 0.02 -1.17 -1.57 0.00 0.00 175.55 172.84 2kbn s LEU 68 N -0.29 3.22 -0.17 -1.29 2.96 -0.44 -2.68 118.68 119.98 2kbn s LEU 68 Ca -0.04 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 2kbn s LEU 68 Cb -0.03 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2kbn s LEU 68 CO 0.00 -0.01 0.12 -0.76 -1.32 0.00 0.00 176.35 174.39 2kbn s LEU 69 N 1.45 4.20 -0.06 -0.68 1.43 -0.89 -2.49 118.68 121.64 2kbn s LEU 69 Ca 0.05 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2kbn s LEU 69 Cb -0.15 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2kbn s LEU 69 CO 0.01 0.24 -0.15 -0.13 0.23 0.00 0.00 176.35 176.55 2kbn s ARG 70 N -0.03 1.85 -0.23 1.70 0.52 -0.99 -2.22 118.95 119.55 2kbn s ARG 70 Ca 0.09 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2kbn s ARG 70 Cb -0.11 -1.53 -0.01 0.00 0.52 0.00 0.00 34.95 33.82 2kbn s ARG 70 CO -0.00 0.11 0.20 0.43 0.02 0.00 0.00 175.30 176.06 2kbn n SER 71 N 3.55 -2.47 -4.56 0.23 7.64 -1.24 -2.24 113.62 114.52 2kbn n SER 71 Ca -0.21 -0.14 -0.24 0.00 1.01 0.00 0.00 58.87 59.30 2kbn n SER 71 Cb 0.52 -1.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.17 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 -3.08 2.78 -0.01 0.44 -7.23 -1.09 -4.34 120.40 107.87 2kbn s VAL 72 Ca 0.05 -2.16 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 2kbn s VAL 72 Cb -0.01 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2kbn s VAL 72 CO 0.15 -0.34 -0.25 0.54 -0.31 0.00 0.00 175.10 174.89 2kbn s VAL 73 N -2.46 2.01 -0.23 1.32 0.11 -1.24 -2.60 120.40 117.31 2kbn s VAL 73 Ca 0.32 -1.12 -0.25 0.00 -2.93 0.00 0.00 61.98 57.99 2kbn s VAL 73 Cb -0.04 -1.68 -0.00 0.00 -1.53 0.00 0.00 36.38 33.13 2kbn s VAL 73 CO 0.17 0.54 0.84 -0.69 -3.33 0.00 0.00 175.10 172.64 2kbn s VAL 74 N -0.62 4.83 0.55 2.04 1.01 -1.00 -1.02 120.40 126.18 2kbn s VAL 74 Ca 0.10 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.74 2kbn s VAL 74 Cb -0.10 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2kbn s VAL 74 CO -0.01 -0.07 0.76 -0.83 0.00 0.00 0.00 175.10 174.96 2kbn s GLY 75 N 1.31 1.82 -0.22 4.51 0.00 0.92 -0.02 107.32 115.64 2kbn s GLY 75 Ca 0.36 -1.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.26 2kbn s GLY 75 CO 0.08 -1.42 -0.05 -0.54 0.00 0.00 0.00 173.10 171.16 2kbn s GLU 76 N -4.68 3.30 -0.05 2.90 8.01 -1.26 -2.61 118.70 124.31 2kbn s GLU 76 Ca 0.60 -0.67 -0.01 0.00 0.01 0.00 0.00 54.97 54.90 2kbn s GLU 76 Cb -0.08 -2.98 0.03 0.00 -4.31 0.00 0.00 34.13 26.79 2kbn s GLU 76 CO 0.38 -0.22 0.01 -0.47 0.01 0.00 0.00 175.26 174.97 2kbn s TYR 77 N 1.45 0.44 -1.47 1.61 5.04 -1.06 -4.82 117.35 118.55 2kbn s TYR 77 Ca 0.05 -0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 2kbn s TYR 77 Cb -0.14 -0.59 0.05 0.00 0.35 0.00 0.00 41.96 41.62 2kbn s TYR 77 CO -0.04 -0.22 0.89 0.09 -1.34 0.00 0.00 175.55 174.92 2kbn n ASN 78 N 4.71 -5.30 0.00 4.32 5.03 -1.26 -0.03 115.26 122.73 2kbn n ASN 78 Ca -0.15 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.73 2kbn n ASN 78 Cb 0.50 -4.24 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kbn n ASP 79 N -2.73 0.00 -3.96 6.41 -0.08 -1.26 -4.94 116.55 109.99 2kbn n ASP 79 Ca -0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 2kbn n ASP 79 Cb 0.55 -1.38 0.08 0.00 2.34 0.00 0.00 41.12 42.72 2kbn n ASP 79 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kbn n ARG 80 N -2.00 0.18 -4.91 -0.67 1.74 0.96 -5.10 116.66 106.85 2kbn n ARG 80 Ca 0.00 -2.09 -0.33 0.00 -0.77 0.00 0.00 57.85 54.67 2kbn n ARG 80 Cb 0.00 -0.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.86 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 -2.16 2.69 0.07 -1.55 0.08 -1.26 -2.56 117.98 113.29 2kbn s PHE 81 Ca 0.49 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 57.16 2kbn s PHE 81 Cb -0.03 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2kbn s PHE 81 CO 0.32 0.05 0.07 1.14 -0.10 0.00 0.00 175.22 176.70 2kbn s GLN 82 N -0.42 0.71 -0.17 0.44 -2.07 -1.07 -4.29 119.66 112.80 2kbn s GLN 82 Ca 0.05 -1.07 -0.07 0.00 -1.82 0.00 0.00 55.36 52.45 2kbn s GLN 82 Cb -0.12 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 2kbn s GLN 82 CO 0.02 -0.18 0.06 0.14 -1.32 0.00 0.00 175.29 174.00 2kbn s VAL 83 N -3.80 4.74 -0.34 3.63 -7.23 -0.92 -0.06 120.40 116.42 2kbn s VAL 83 Ca 0.05 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 2kbn s VAL 83 Cb 0.06 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2kbn s VAL 83 CO -0.10 0.49 0.20 -1.10 -0.31 0.00 0.00 175.10 174.28 2kbn s GLN 84 N 0.13 3.33 -0.58 4.82 -0.21 -0.19 -2.61 119.66 124.36 2kbn s GLN 84 Ca 0.04 -0.74 -0.23 0.00 0.02 0.00 0.00 55.36 54.46 2kbn s GLN 84 Cb -0.12 -3.71 0.06 0.00 1.00 0.00 0.00 33.01 30.23 2kbn s GLN 84 CO 0.01 -0.47 0.89 0.08 -2.12 0.00 0.00 175.29 173.67 2kbn s VAL 85 N 1.66 4.47 0.36 1.09 1.01 -0.25 -3.67 120.40 125.07 2kbn s VAL 85 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2kbn s VAL 85 Cb -0.18 -4.54 0.02 0.00 0.00 0.00 0.00 36.38 31.68 2kbn s VAL 85 CO 0.08 -1.17 0.56 -0.46 0.00 0.00 0.00 175.10 174.11 2kbn n ASN 86 N 7.28 -1.58 0.00 3.32 0.23 -1.26 -2.13 115.26 121.12 2kbn n ASN 86 Ca -0.02 -2.85 0.00 0.00 -0.53 0.00 0.00 54.58 51.18 2kbn n ASN 86 Cb 0.46 2.85 0.00 0.00 -2.08 0.00 0.00 39.78 41.01 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2kbn n LYS 87 N -0.57 0.00 -0.42 -3.83 4.81 -0.69 -2.32 118.16 115.13 2kbn n LYS 87 Ca -0.01 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.51 2kbn n LYS 87 Cb 0.59 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.92 2kbn n LYS 87 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kbn n ASN 88 N 4.81 3.61 -4.28 3.14 5.03 -1.26 -4.23 115.26 122.08 2kbn n ASN 88 Ca 0.00 -2.23 -0.59 0.00 0.87 0.00 0.00 54.58 52.63 2kbn n ASN 88 Cb 0.00 -0.47 -0.12 0.00 -1.02 0.00 0.00 39.78 38.17 2kbn n ASN 88 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2kbn n SER 89 N 0.97 0.88 -4.83 6.41 3.41 -0.98 -4.86 113.62 114.61 2kbn n SER 89 Ca 0.20 0.67 -0.33 0.00 -0.26 0.00 0.00 58.87 59.15 2kbn n SER 89 Cb 0.65 -0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 2kbn n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kbn s SER 90 N 6.06 6.85 -0.04 4.04 0.01 -0.95 -4.89 113.70 124.78 2kbn s SER 90 Ca 1.19 1.63 0.02 0.00 1.31 0.00 0.00 55.95 60.09 2kbn s SER 90 Cb -1.44 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 62.28 2kbn s SER 90 CO 0.65 -0.40 -0.08 -0.63 0.41 0.00 0.00 173.24 173.19 2kbn s ILE 91 N -2.26 0.76 -0.04 1.44 1.01 -1.26 -2.35 121.20 118.49 2kbn s ILE 91 Ca 0.61 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2kbn s ILE 91 Cb -0.09 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2kbn s ILE 91 CO 0.17 0.26 -0.14 -0.70 0.00 0.00 0.00 174.94 174.53 2kbn s GLU 92 N 0.58 1.52 -0.03 2.79 2.56 -1.04 -4.97 118.70 120.12 2kbn s GLU 92 Ca -0.09 -0.49 -0.25 0.00 0.00 0.00 0.00 54.97 54.14 2kbn s GLU 92 Cb -0.13 -1.33 -0.04 0.00 2.00 0.00 0.00 34.13 34.63 2kbn s GLU 92 CO 0.01 0.17 0.76 0.21 -0.56 0.00 0.00 175.26 175.86 2kbn s LYS 93 N 0.18 4.47 -0.18 4.30 2.20 -1.26 -1.33 119.74 128.12 2kbn s LYS 93 Ca -0.05 1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.47 2kbn s LYS 93 Cb -0.11 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2kbn s LYS 93 CO 0.02 0.10 0.16 -0.51 -0.36 0.00 0.00 175.35 174.75 2kbn s LEU 94 N 0.64 4.25 -0.03 5.43 2.01 -1.04 -4.95 118.68 125.00 2kbn s LEU 94 Ca 0.40 0.33 0.04 0.00 0.01 0.00 0.00 54.13 54.91 2kbn s LEU 94 Cb -0.19 -2.14 0.16 0.00 0.01 0.00 0.00 46.19 44.04 2kbn s LEU 94 CO 0.21 0.21 0.92 -1.20 1.01 0.00 0.00 176.35 177.50 2kbn n SER 95 N 3.21 1.51 -3.99 2.29 7.64 -1.26 -4.26 113.62 118.76 2kbn n SER 95 Ca -0.16 -2.11 -0.32 0.00 1.01 0.00 0.00 58.87 57.29 2kbn n SER 95 Cb 0.53 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kbn s GLU 96 N -1.56 2.15 0.48 1.43 2.56 -1.26 -5.10 118.70 117.41 2kbn s GLU 96 Ca 0.11 -2.63 -0.24 0.00 0.00 0.00 0.00 54.97 52.22 2kbn s GLU 96 Cb 0.07 -3.43 -0.08 0.00 2.00 0.00 0.00 34.13 32.70 2kbn s GLU 96 CO 0.05 -1.13 1.27 -2.30 -0.56 0.00 0.00 175.26 172.59 2kbn n PRO 97 N 3.16 1.77 -3.92 4.30 -0.02 -1.26 -4.78 135.00 134.25 2kbn n PRO 97 Ca 0.06 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.82 2kbn n PRO 97 Cb 0.33 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 2kbn n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kbn s ILE 98 N -1.26 4.35 -0.05 4.25 1.01 -1.26 -5.04 121.20 123.20 2kbn s ILE 98 Ca 0.66 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 2kbn s ILE 98 Cb -0.47 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2kbn s ILE 98 CO 0.54 0.39 0.57 -1.61 0.00 0.00 0.00 174.94 174.83 2kbn s GLU 99 N 1.13 4.33 -1.18 2.79 8.01 -1.26 -4.91 118.70 127.60 2kbn s GLU 99 Ca 0.04 0.66 -0.06 0.00 0.01 0.00 0.00 54.97 55.62 2kbn s GLU 99 Cb -0.14 -3.39 0.07 0.00 -4.31 0.00 0.00 34.13 26.36 2kbn s GLU 99 CO 0.03 0.25 2.57 0.28 0.01 0.00 0.00 175.26 178.40 2kbn n VAL 100 N 3.21 4.75 -1.05 2.63 0.31 -1.26 -4.53 118.33 122.39 2kbn n VAL 100 Ca -0.06 -3.78 -0.02 0.00 -0.01 0.00 0.00 64.34 60.47 2kbn n VAL 100 Cb 0.51 -2.07 -0.01 0.00 -0.91 0.00 0.00 33.84 31.36 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 1.87 0.51 0.27 2.92 0.00 -1.26 -4.90 105.19 104.60 2kbn n GLY 101 Ca 0.62 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 2kbn n GLY 101 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kbn h LEU 102 N 0.00 0.87 -8.54 0.99 -0.00 -1.98 -3.38 115.31 103.26 2kbn h LEU 102 Ca -0.03 -0.21 -0.66 0.00 -0.00 0.00 0.00 57.88 56.98 2kbn h LEU 102 Cb 0.25 -0.23 -0.16 0.00 -0.00 0.00 0.00 40.66 40.53 2kbn h LEU 102 CO 0.05 0.85 0.10 -1.61 -0.00 0.00 0.00 178.44 177.83 2kbn s GLU 103 N -5.40 3.23 0.18 1.13 2.02 -1.26 -4.88 118.70 113.73 2kbn s GLU 103 Ca -0.13 -0.50 0.24 0.00 0.02 0.00 0.00 54.97 54.60 2kbn s GLU 103 Cb 0.13 -3.99 0.38 0.00 0.10 0.00 0.00 34.13 30.75 2kbn s GLU 103 CO 0.81 -1.06 1.39 1.12 0.02 0.00 0.00 175.26 177.54 2kbn h HIS 104 N 8.91 0.00 -0.51 1.61 2.07 -2.02 -3.21 115.15 122.00 2kbn h HIS 104 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 2kbn h HIS 104 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 2kbn h HIS 104 CO 0.73 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 176.31 2kbn n HIS 105 N -2.32 1.14 -0.14 6.12 8.25 -1.26 -4.34 115.22 122.67 2kbn n HIS 105 Ca 0.03 -0.46 -0.08 0.00 -0.26 0.00 0.00 57.72 56.96 2kbn n HIS 105 Cb 0.46 -0.19 0.01 0.00 1.12 0.00 0.00 29.99 31.39 2kbn n HIS 105 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kbn h HIS 106 N 3.20 0.55 -0.27 4.41 2.76 -1.97 -3.44 115.15 120.38 2kbn h HIS 106 Ca 0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2kbn h HIS 106 Cb 1.15 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2kbn h HIS 106 CO 0.59 0.34 -0.03 0.72 -1.30 0.00 0.00 177.93 178.26 2kbn n HIS 107 N -4.78 -0.10 -2.72 5.26 8.25 -1.26 -2.53 115.22 117.33 2kbn n HIS 107 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 2kbn n HIS 107 Cb 0.03 -1.24 -0.02 0.00 1.12 0.00 0.00 29.99 29.88 2kbn n HIS 107 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kbn n HIS 108 N -0.91 -1.46 1.72 4.41 1.44 -1.26 -5.27 115.22 113.88 2kbn n HIS 108 Ca -0.01 0.17 0.14 0.00 -2.01 0.00 0.00 57.72 56.00 2kbn n HIS 108 Cb 0.21 -1.05 0.82 0.00 0.12 0.00 0.00 29.99 30.09 2kbn n HIS 108 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11