#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfh s ASN 11 N 0.00 6.50 0.47 1.96 3.84 -1.26 -4.95 114.94 121.51 3kfh s ASN 11 Ca 0.00 -2.67 0.17 0.00 0.21 0.00 0.00 52.86 50.57 3kfh s ASN 11 Cb 0.00 -2.15 1.13 0.00 -0.55 0.00 0.00 41.25 39.68 3kfh s ASN 11 CO 0.00 -0.56 2.04 1.62 -2.79 0.00 0.00 177.10 177.41 3kfh h VAL 12 N 4.91 1.02 -0.50 -5.21 3.04 -2.03 -0.96 116.25 116.52 3kfh h VAL 12 Ca 0.07 -0.49 0.13 0.00 -1.01 0.00 0.00 66.70 65.40 3kfh h VAL 12 Cb 1.03 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 3kfh h VAL 12 CO 0.76 0.14 0.36 -0.33 -1.01 0.00 0.00 177.57 177.48 3kfh h GLU 13 N 0.00 0.07 0.00 4.17 4.39 -1.97 -1.16 114.58 120.08 3kfh h GLU 13 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kfh h GLU 13 Cb 0.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kfh h GLU 13 CO 0.02 0.04 0.00 1.63 -1.16 0.00 0.00 179.01 179.54 3kfh n LYS 14 N -4.41 0.33 0.00 2.33 5.02 -0.37 -2.15 118.16 118.91 3kfh n LYS 14 Ca 0.09 0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.58 3kfh n LYS 14 Cb 0.53 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.65 3kfh n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kfh n ILE 15 N -1.30 0.00 -1.68 -0.18 -5.35 -0.44 -4.80 119.36 105.62 3kfh n ILE 15 Ca 0.11 -0.13 -0.38 0.00 -0.27 0.00 0.00 62.75 62.08 3kfh n ILE 15 Cb 0.20 0.13 0.05 0.00 -1.74 0.00 0.00 39.64 38.27 3kfh n ILE 15 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3kfh n ASN 16 N -0.48 1.78 0.00 7.28 0.23 -0.91 -4.75 115.26 118.41 3kfh n ASN 16 Ca 0.18 0.90 0.00 0.00 -0.53 0.00 0.00 54.58 55.13 3kfh n ASN 16 Cb 0.28 -1.49 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 3kfh n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kfh n GLY 17 N 1.01 0.07 3.78 4.83 0.00 0.21 -4.96 105.19 110.14 3kfh n GLY 17 Ca 0.12 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 3kfh n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kfh s GLU 18 N 0.00 4.47 0.12 1.61 0.41 -1.26 -1.03 118.70 123.02 3kfh s GLU 18 Ca 0.00 1.05 -0.03 0.00 -0.41 0.00 0.00 54.97 55.58 3kfh s GLU 18 Cb 0.00 -3.26 -0.03 0.00 -1.78 0.00 0.00 34.13 29.06 3kfh s GLU 18 CO 0.00 0.59 0.08 -1.58 -0.49 0.00 0.00 175.26 173.86 3kfh s TRP 19 N -1.12 0.67 0.00 1.61 0.52 -0.76 -4.71 118.94 115.16 3kfh s TRP 19 Ca 0.34 -1.09 0.06 0.00 0.02 0.00 0.00 56.10 55.43 3kfh s TRP 19 Cb -0.22 -0.37 -0.02 0.00 -1.15 0.00 0.00 33.47 31.71 3kfh s TRP 19 CO 0.24 -0.52 -0.17 -0.06 0.02 0.00 0.00 176.95 176.46 3kfh s PHE 20 N -4.00 1.55 -0.07 -1.98 0.40 0.52 -3.92 117.98 110.48 3kfh s PHE 20 Ca 0.18 -0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 3kfh s PHE 20 Cb 0.07 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.61 3kfh s PHE 20 CO -0.02 0.00 0.97 -1.12 0.70 0.00 0.00 175.22 175.76 3kfh s SER 21 N -0.63 7.27 -0.01 1.36 0.01 -1.26 -0.91 113.70 119.54 3kfh s SER 21 Ca 0.06 1.55 -0.04 0.00 1.31 0.00 0.00 55.95 58.83 3kfh s SER 21 Cb -0.07 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 3kfh s SER 21 CO 0.00 -0.35 -0.08 -0.38 0.41 0.00 0.00 173.24 172.84 3kfh n ILE 22 N 4.27 0.76 -4.95 1.44 2.08 -0.28 -4.68 119.36 118.00 3kfh n ILE 22 Ca 0.07 0.26 -0.30 0.00 0.56 0.00 0.00 62.75 63.33 3kfh n ILE 22 Cb 0.50 -1.59 -0.15 0.00 -0.75 0.00 0.00 39.64 37.65 3kfh n ILE 22 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3kfh s LEU 23 N -6.34 2.16 -0.04 1.39 1.43 -0.99 -0.65 118.68 115.63 3kfh s LEU 23 Ca -0.07 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3kfh s LEU 23 Cb 0.01 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.95 3kfh s LEU 23 CO 0.10 0.27 -0.07 -0.22 0.23 0.00 0.00 176.35 176.65 3kfh s LEU 24 N -1.17 1.54 0.01 1.79 2.96 -0.62 -1.28 118.68 121.91 3kfh s LEU 24 Ca 0.12 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3kfh s LEU 24 Cb -0.10 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 3kfh s LEU 24 CO 0.02 -0.00 0.03 0.00 -1.32 0.00 0.00 176.35 175.08 3kfh s ALA 25 N 0.63 -0.05 -0.03 5.97 0.00 -0.19 -0.35 121.76 127.74 3kfh s ALA 25 Ca -0.10 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 3kfh s ALA 25 Cb -0.13 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.16 3kfh s ALA 25 CO 0.01 -0.16 0.57 0.45 0.00 0.00 0.00 175.76 176.62 3kfh s SER 26 N -1.31 -0.52 0.00 0.00 0.15 -0.97 -0.84 113.70 110.22 3kfh s SER 26 Ca -0.14 0.50 0.17 0.00 0.70 0.00 0.00 55.95 57.18 3kfh s SER 26 Cb -0.08 0.48 0.86 0.00 -1.71 0.00 0.00 66.02 65.57 3kfh s SER 26 CO -0.00 -0.58 1.58 -0.90 1.20 0.00 0.00 173.24 174.54 3kfh n ASP 27 N 0.94 0.60 -3.65 5.45 5.68 -1.11 -4.28 116.55 120.18 3kfh n ASP 27 Ca -0.20 -1.59 -0.29 0.00 -0.50 0.00 0.00 54.79 52.22 3kfh n ASP 27 Cb 0.57 -0.04 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 3kfh n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3kfh s LYS 28 N -1.91 1.26 0.43 0.11 2.20 -1.26 -4.95 119.74 115.62 3kfh s LYS 28 Ca 0.27 -2.09 0.09 0.00 -0.36 0.00 0.00 55.97 53.88 3kfh s LYS 28 Cb 0.13 -2.18 0.95 0.00 -1.51 0.00 0.00 37.83 35.22 3kfh s LYS 28 CO 0.21 -1.22 2.07 -0.09 -0.36 0.00 0.00 175.35 175.96 3kfh h ARG 29 N 6.44 0.39 -0.27 4.03 2.43 -1.94 -1.63 114.38 123.82 3kfh h ARG 29 Ca 0.06 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3kfh h ARG 29 Cb 0.91 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3kfh h ARG 29 CO 0.46 0.28 0.22 1.05 -1.51 0.00 0.00 179.97 180.47 3kfh h GLU 30 N 0.39 0.00 0.00 0.20 4.11 -1.95 -1.38 114.58 115.96 3kfh h GLU 30 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 3kfh h GLU 30 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3kfh h GLU 30 CO -0.02 0.00 -0.02 0.87 0.07 0.00 0.00 179.01 179.91 3kfh h LYS 31 N 0.00 0.00 -0.05 1.06 1.79 -1.68 -3.03 116.57 114.65 3kfh h LYS 31 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3kfh h LYS 31 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3kfh h LYS 31 CO -0.00 0.02 0.00 0.44 -1.08 0.00 0.00 179.45 178.82 3kfh n ILE 32 N -3.13 0.31 -1.23 1.86 -5.35 -0.54 -0.93 119.36 110.34 3kfh n ILE 32 Ca -0.00 -0.65 -0.30 0.00 -0.27 0.00 0.00 62.75 61.52 3kfh n ILE 32 Cb 0.25 0.92 0.24 0.00 -1.74 0.00 0.00 39.64 39.31 3kfh n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3kfh s GLU 33 N -0.61 -1.07 0.35 6.28 2.02 -1.05 -4.68 118.70 119.95 3kfh s GLU 33 Ca 0.08 -0.19 -0.28 0.00 0.02 0.00 0.00 54.97 54.59 3kfh s GLU 33 Cb 0.05 -1.63 -0.12 0.00 0.10 0.00 0.00 34.13 32.54 3kfh s GLU 33 CO 0.07 -3.58 1.45 0.39 0.02 0.00 0.00 175.26 173.60 3kfh n GLU 34 N -4.64 2.51 -0.58 1.61 1.02 -1.26 -0.73 120.64 118.56 3kfh n GLU 34 Ca 0.14 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 3kfh n GLU 34 Cb 0.60 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 3kfh n GLU 34 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kfh n HIS 35 N 0.73 0.00 -2.40 -0.32 8.25 -1.26 -4.99 115.22 115.22 3kfh n HIS 35 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 3kfh n HIS 35 Cb 0.37 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.64 3kfh n HIS 35 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kfh s GLY 36 N -2.00 2.47 0.53 -1.41 0.00 0.09 -4.91 107.32 102.09 3kfh s GLY 36 Ca 0.00 0.62 0.28 0.00 0.00 0.00 0.00 44.72 45.62 3kfh s GLY 36 CO 0.00 0.95 2.08 1.48 0.00 0.00 0.00 173.10 177.60 3kfh h SER 37 N 1.30 0.00 -0.22 1.64 4.64 -1.82 -2.44 113.55 116.65 3kfh h SER 37 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kfh h SER 37 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kfh h SER 37 CO 0.58 0.11 0.00 0.23 -0.87 0.00 0.00 176.83 176.88 3kfh n MET 38 N -3.58 2.13 -2.61 4.77 2.81 -0.11 -4.68 117.12 115.84 3kfh n MET 38 Ca -0.02 -1.69 -0.43 0.00 -1.81 0.00 0.00 57.70 53.76 3kfh n MET 38 Cb 0.24 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 3kfh n MET 38 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3kfh s ARG 39 N -1.73 3.93 0.13 0.03 3.52 -0.92 -4.86 118.95 119.05 3kfh s ARG 39 Ca 0.35 -1.90 0.04 0.00 -0.13 0.00 0.00 55.73 54.09 3kfh s ARG 39 Cb 0.20 -5.46 -0.04 0.00 -1.56 0.00 0.00 34.95 28.09 3kfh s ARG 39 CO 0.30 -2.20 -0.10 0.14 -0.81 0.00 0.00 175.30 172.62 3kfh s VAL 40 N 4.11 1.11 -0.22 7.11 -7.23 -1.26 -4.54 120.40 119.48 3kfh s VAL 40 Ca 0.51 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3kfh s VAL 40 Cb 0.03 -1.75 0.06 0.00 0.56 0.00 0.00 36.38 35.28 3kfh s VAL 40 CO 0.04 -0.71 -0.04 -0.36 -0.31 0.00 0.00 175.10 173.71 3kfh s PHE 41 N -3.16 2.10 0.52 2.82 0.40 0.23 -4.96 117.98 115.93 3kfh s PHE 41 Ca 0.14 -1.52 -0.21 0.00 -0.60 0.00 0.00 56.93 54.74 3kfh s PHE 41 Cb 0.02 -1.46 -0.06 0.00 0.51 0.00 0.00 43.02 42.02 3kfh s PHE 41 CO 0.00 -0.73 1.20 0.54 0.70 0.00 0.00 175.22 176.94 3kfh s VAL 42 N 1.50 2.82 -0.03 -0.44 0.11 -1.26 -0.56 120.40 122.54 3kfh s VAL 42 Ca -0.04 0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 3kfh s VAL 42 Cb -0.18 -3.27 -0.01 0.00 -1.53 0.00 0.00 36.38 31.39 3kfh s VAL 42 CO -0.07 -0.05 -0.03 1.21 -3.33 0.00 0.00 175.10 172.83 3kfh n GLU 43 N -0.99 0.06 -3.85 1.54 2.13 0.68 -4.11 120.64 116.10 3kfh n GLU 43 Ca 0.10 0.02 -0.09 0.00 0.66 0.00 0.00 57.16 57.85 3kfh n GLU 43 Cb 0.48 -0.85 -0.07 0.00 0.27 0.00 0.00 31.44 31.27 3kfh n GLU 43 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3kfh s HIS 44 N -2.05 0.15 -0.12 4.31 -3.43 -1.13 -1.83 115.29 111.19 3kfh s HIS 44 Ca -0.04 -0.57 -0.00 0.00 -0.80 0.00 0.00 55.06 53.65 3kfh s HIS 44 Cb 0.01 -0.04 0.02 0.00 -1.43 0.00 0.00 32.58 31.14 3kfh s HIS 44 CO 0.06 -0.56 -0.10 0.42 -2.00 0.00 0.00 174.74 172.55 3kfh s ILE 45 N -3.87 1.20 -0.16 -5.38 1.01 -0.20 -1.95 121.20 111.85 3kfh s ILE 45 Ca 0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 3kfh s ILE 45 Cb 0.05 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 3kfh s ILE 45 CO -0.10 0.40 -0.00 -1.00 0.00 0.00 0.00 174.94 174.23 3kfh s HIS 46 N 1.59 3.11 -0.24 3.97 3.76 0.60 -0.62 115.29 127.47 3kfh s HIS 46 Ca 0.04 -0.15 -0.18 0.00 -0.15 0.00 0.00 55.06 54.62 3kfh s HIS 46 Cb -0.13 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 3kfh s HIS 46 CO -0.08 0.05 0.50 0.08 -0.85 0.00 0.00 174.74 174.43 3kfh s VAL 47 N 0.32 5.10 0.47 -0.90 1.01 -1.26 -0.90 120.40 124.25 3kfh s VAL 47 Ca -0.01 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.89 3kfh s VAL 47 Cb -0.13 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3kfh s VAL 47 CO 0.02 0.14 0.18 -0.76 0.00 0.00 0.00 175.10 174.68 3kfh s LEU 48 N 1.98 2.77 0.31 3.92 1.43 -0.41 -5.01 118.68 123.67 3kfh s LEU 48 Ca 0.22 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 3kfh s LEU 48 Cb -0.15 -1.15 0.50 0.00 0.03 0.00 0.00 46.19 45.42 3kfh s LEU 48 CO 0.09 -0.77 1.91 -0.08 0.23 0.00 0.00 176.35 177.73 3kfh h GLU 49 N 1.25 0.84 0.00 1.70 4.57 -2.03 -3.19 114.58 117.72 3kfh h GLU 49 Ca -0.42 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3kfh h GLU 49 Cb 1.28 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3kfh h GLU 49 CO 0.68 0.66 -0.01 -1.71 -1.18 0.00 0.00 179.01 177.46 3kfh n ASN 50 N -4.35 1.74 -3.49 1.04 5.15 -1.26 -5.03 115.26 109.06 3kfh n ASN 50 Ca 0.05 -1.99 -0.07 0.00 -0.60 0.00 0.00 54.58 51.97 3kfh n ASN 50 Cb 0.14 -0.05 -0.00 0.00 -0.53 0.00 0.00 39.78 39.34 3kfh n ASN 50 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kfh s SER 51 N -1.08 -0.14 -0.10 1.20 1.04 -1.21 -1.09 113.70 112.32 3kfh s SER 51 Ca 0.04 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.71 3kfh s SER 51 Cb 0.03 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.89 3kfh s SER 51 CO 0.00 -1.38 -0.17 -0.76 0.98 0.00 0.00 173.24 171.91 3kfh s LEU 52 N -3.01 1.82 -0.24 2.42 1.43 -0.12 -1.29 118.68 119.70 3kfh s LEU 52 Ca 0.13 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3kfh s LEU 52 Cb -0.05 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3kfh s LEU 52 CO 0.08 0.05 0.04 0.00 0.23 0.00 0.00 176.35 176.75 3kfh s ALA 53 N 0.78 3.08 -0.02 4.21 0.00 -0.07 -0.60 121.76 129.14 3kfh s ALA 53 Ca -0.11 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.75 3kfh s ALA 53 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 3kfh s ALA 53 CO 0.01 -0.46 -0.06 -0.06 0.00 0.00 0.00 175.76 175.20 3kfh s PHE 54 N 1.55 2.93 -0.10 0.00 0.40 0.49 -0.29 117.98 122.96 3kfh s PHE 54 Ca 0.06 0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 3kfh s PHE 54 Cb -0.15 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 3kfh s PHE 54 CO 0.02 0.38 -0.15 0.21 0.70 0.00 0.00 175.22 176.37 3kfh s LYS 55 N -1.26 3.08 0.19 0.44 2.20 -0.82 -1.66 119.74 121.90 3kfh s LYS 55 Ca 0.16 -0.72 0.07 0.00 -0.36 0.00 0.00 55.97 55.12 3kfh s LYS 55 Cb -0.11 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 3kfh s LYS 55 CO 0.06 0.33 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.18 3kfh s PHE 56 N 0.04 1.60 0.30 4.03 0.40 0.29 -0.23 117.98 124.41 3kfh s PHE 56 Ca -0.06 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 55.73 3kfh s PHE 56 Cb -0.15 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 3kfh s PHE 56 CO 0.05 0.29 0.18 -1.01 0.70 0.00 0.00 175.22 175.42 3kfh s HIS 57 N -3.05 2.88 0.13 0.36 3.76 0.28 -0.94 115.29 118.70 3kfh s HIS 57 Ca 0.21 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 3kfh s HIS 57 Cb 0.00 -1.55 0.04 0.00 1.11 0.00 0.00 32.58 32.18 3kfh s HIS 57 CO 0.05 0.39 0.42 -0.08 -0.85 0.00 0.00 174.74 174.67 3kfh s THR 58 N -2.29 0.06 -0.20 1.30 -1.32 0.09 -0.60 115.64 112.68 3kfh s THR 58 Ca 0.36 -0.51 -0.10 0.00 -1.21 0.00 0.00 61.69 60.24 3kfh s THR 58 Cb -0.06 -1.14 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 3kfh s THR 58 CO 0.24 -0.28 0.12 -0.69 -2.21 0.00 0.00 174.62 171.80 3kfh s VAL 59 N -3.77 5.31 -0.21 5.08 1.01 -1.26 -0.80 120.40 125.76 3kfh s VAL 59 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3kfh s VAL 59 Cb 0.01 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 33.02 3kfh s VAL 59 CO -0.12 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.71 3kfh s ILE 60 N 0.46 1.48 -1.53 2.22 1.01 0.37 -4.72 121.20 120.49 3kfh s ILE 60 Ca 0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 3kfh s ILE 60 Cb -0.12 -1.66 0.08 0.00 0.01 0.00 0.00 42.46 40.78 3kfh s ILE 60 CO -0.01 0.04 0.94 0.47 0.00 0.00 0.00 174.94 176.39 3kfh n ASP 61 N 4.72 -4.36 0.00 3.58 8.00 -1.26 -1.73 116.55 125.51 3kfh n ASP 61 Ca -0.13 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3kfh n ASP 61 Cb 0.46 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 3kfh n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kfh n GLY 62 N -1.67 1.30 3.53 0.44 0.00 -1.26 -5.03 105.19 102.51 3kfh n GLY 62 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3kfh n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kfh s GLU 63 N -0.52 2.70 0.41 1.61 0.41 -0.70 -5.06 118.70 117.54 3kfh s GLU 63 Ca 0.00 -0.61 -0.23 0.00 -0.41 0.00 0.00 54.97 53.72 3kfh s GLU 63 Cb 0.00 -2.52 -0.09 0.00 -1.78 0.00 0.00 34.13 29.74 3kfh s GLU 63 CO 0.00 0.62 1.02 0.00 -0.49 0.00 0.00 175.26 176.42 3kfh s SER 65 N -1.70 0.03 0.03 0.00 1.04 0.02 -4.90 113.70 108.21 3kfh s SER 65 Ca 0.59 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3kfh s SER 65 Cb -0.19 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3kfh s SER 65 CO 0.24 -0.81 0.07 -1.61 0.98 0.00 0.00 173.24 172.11 3kfh s GLU 66 N -3.88 2.94 -0.04 4.02 2.02 -1.26 -0.73 118.70 121.76 3kfh s GLU 66 Ca 0.08 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3kfh s GLU 66 Cb 0.04 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.51 3kfh s GLU 66 CO -0.08 0.61 -0.06 0.42 0.02 0.00 0.00 175.26 176.17 3kfh s ILE 67 N -1.27 0.64 -0.09 -1.63 1.01 -0.12 -4.92 121.20 114.83 3kfh s ILE 67 Ca 0.25 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3kfh s ILE 67 Cb -0.12 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 3kfh s ILE 67 CO 0.17 0.24 -0.21 -0.36 0.00 0.00 0.00 174.94 174.78 3kfh s PHE 68 N 0.79 2.60 0.03 3.97 0.40 -1.26 -0.55 117.98 123.95 3kfh s PHE 68 Ca -0.12 -0.81 0.03 0.00 -0.60 0.00 0.00 56.93 55.43 3kfh s PHE 68 Cb -0.14 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 3kfh s PHE 68 CO 0.01 -0.28 -0.09 -0.51 0.70 0.00 0.00 175.22 175.05 3kfh s LEU 69 N 0.14 2.17 -0.12 -0.37 1.43 -0.67 -5.01 118.68 116.25 3kfh s LEU 69 Ca -0.11 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3kfh s LEU 69 Cb -0.16 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.76 3kfh s LEU 69 CO 0.06 -0.07 -0.21 -0.69 0.23 0.00 0.00 176.35 175.67 3kfh s VAL 70 N -0.90 1.94 -0.17 -1.59 1.01 -1.26 -0.38 120.40 119.05 3kfh s VAL 70 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3kfh s VAL 70 Cb -0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3kfh s VAL 70 CO 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 175.10 175.61 3kfh s ALA 71 N 0.72 3.02 0.12 5.51 0.00 0.23 -4.75 121.76 126.61 3kfh s ALA 71 Ca -0.10 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3kfh s ALA 71 Cb -0.16 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.25 3kfh s ALA 71 CO 0.01 0.06 0.43 -0.51 0.00 0.00 0.00 175.76 175.76 3kfh s ASP 72 N 0.62 6.63 0.33 0.00 1.01 -0.39 -0.94 116.67 123.93 3kfh s ASP 72 Ca -0.02 0.80 -0.29 0.00 0.71 0.00 0.00 52.55 53.75 3kfh s ASP 72 Cb -0.14 -2.18 -0.12 0.00 1.01 0.00 0.00 42.92 41.49 3kfh s ASP 72 CO 0.02 0.10 1.46 0.29 0.21 0.00 0.00 175.17 177.26 3kfh n LYS 73 N 0.58 2.48 -0.94 8.23 5.02 -0.25 -0.77 118.16 132.50 3kfh n LYS 73 Ca -0.05 0.87 -0.02 0.00 -2.02 0.00 0.00 58.31 57.10 3kfh n LYS 73 Cb 0.52 -2.58 0.01 0.00 -0.02 0.00 0.00 35.03 32.96 3kfh n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kfh n THR 74 N 1.10 0.00 1.17 -0.18 -2.24 -0.70 -4.82 114.28 108.61 3kfh n THR 74 Ca 0.05 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 3kfh n THR 74 Cb 0.37 -1.17 0.65 0.00 -2.10 0.00 0.00 70.33 68.07 3kfh n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kfh n GLU 75 N -1.11 0.27 -3.57 -0.78 1.02 -1.26 -4.67 120.64 110.54 3kfh n GLU 75 Ca 0.01 0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 56.81 3kfh n GLU 75 Cb 0.04 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 3kfh n GLU 75 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kfh s LYS 76 N -2.70 3.99 0.20 3.49 1.02 -1.26 -5.04 119.74 119.45 3kfh s LYS 76 Ca 0.22 -0.24 -0.32 0.00 0.02 0.00 0.00 55.97 55.65 3kfh s LYS 76 Cb 0.18 -3.63 -0.14 0.00 -0.52 0.00 0.00 37.83 33.72 3kfh s LYS 76 CO 0.43 -0.14 1.36 0.00 -0.92 0.00 0.00 175.35 176.08 3kfh n ALA 77 N 4.91 0.51 0.00 5.17 0.00 -1.26 -1.55 120.51 128.29 3kfh n ALA 77 Ca -0.13 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3kfh n ALA 77 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3kfh n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kfh n GLY 78 N 2.28 2.39 3.86 0.00 0.00 -1.26 -5.03 105.19 107.43 3kfh n GLY 78 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3kfh n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kfh s GLU 79 N -0.26 3.38 0.18 1.61 2.12 -0.59 -4.39 118.70 120.74 3kfh s GLU 79 Ca 0.00 -0.21 0.09 0.00 0.36 0.00 0.00 54.97 55.21 3kfh s GLU 79 Cb 0.00 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3kfh s GLU 79 CO 0.00 0.75 -0.19 0.71 -0.54 0.00 0.00 175.26 175.98 3kfh s TYR 80 N -1.08 1.94 0.04 5.30 1.51 -0.32 -1.72 117.35 123.02 3kfh s TYR 80 Ca 0.18 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3kfh s TYR 80 Cb -0.12 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 3kfh s TYR 80 CO 0.07 0.38 -0.10 -1.54 -1.11 0.00 0.00 175.55 173.26 3kfh s SER 81 N -2.71 1.13 -0.14 2.29 1.04 0.05 -0.83 113.70 114.53 3kfh s SER 81 Ca 0.17 -0.50 -0.20 0.00 0.48 0.00 0.00 55.95 55.91 3kfh s SER 81 Cb -0.06 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.09 3kfh s SER 81 CO 0.08 -0.11 0.52 0.54 0.98 0.00 0.00 173.24 175.24 3kfh s VAL 82 N -1.13 0.01 -0.23 5.02 0.11 -0.35 -1.26 120.40 122.58 3kfh s VAL 82 Ca -0.05 -0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.70 3kfh s VAL 82 Cb -0.09 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3kfh s VAL 82 CO 0.01 -0.04 0.68 -0.04 -3.33 0.00 0.00 175.10 172.38 3kfh s MET 83 N -0.24 4.17 -0.30 1.54 -1.94 -1.26 -1.24 119.30 120.03 3kfh s MET 83 Ca -0.04 0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 54.52 3kfh s MET 83 Cb -0.03 -3.62 0.18 0.00 2.01 0.00 0.00 34.83 33.36 3kfh s MET 83 CO 0.03 -0.37 0.89 -0.47 -0.01 0.00 0.00 175.02 175.09 3kfh s TYR 84 N 2.35 -0.90 -1.40 -0.03 5.04 -1.26 -4.93 117.35 116.22 3kfh s TYR 84 Ca 0.29 1.09 -0.02 0.00 -2.44 0.00 0.00 57.07 56.00 3kfh s TYR 84 Cb -0.16 0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.53 3kfh s TYR 84 CO 0.09 -0.48 0.54 -3.47 -1.34 0.00 0.00 175.55 170.89 3kfh n ASP 85 N 5.36 -0.88 0.00 4.32 2.03 -1.26 -4.55 116.55 121.58 3kfh n ASP 85 Ca -0.06 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.31 3kfh n ASP 85 Cb 0.52 -3.37 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 3kfh n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kfh n GLY 86 N -1.83 -1.28 3.51 0.27 0.00 -1.26 -4.82 105.19 99.79 3kfh n GLY 86 Ca -0.28 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.30 3kfh n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kfh s PHE 87 N 0.00 3.12 -0.05 1.61 5.36 -0.19 -4.35 117.98 123.47 3kfh s PHE 87 Ca 0.00 -0.25 0.05 0.00 -0.96 0.00 0.00 56.93 55.77 3kfh s PHE 87 Cb 0.00 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 3kfh s PHE 87 CO 0.00 -0.12 -0.21 -0.80 -1.46 0.00 0.00 175.22 172.63 3kfh s ASN 88 N 0.91 3.48 0.04 6.13 0.01 -0.37 -0.74 114.94 124.39 3kfh s ASN 88 Ca 0.03 -0.37 0.08 0.00 -0.71 0.00 0.00 52.86 51.89 3kfh s ASN 88 Cb -0.14 -0.73 -0.03 0.00 0.41 0.00 0.00 41.25 40.76 3kfh s ASN 88 CO 0.02 0.30 -0.23 0.42 -1.51 0.00 0.00 177.10 176.10 3kfh s THR 89 N -0.48 1.88 0.10 1.60 -4.23 -0.36 -1.21 115.64 112.95 3kfh s THR 89 Ca 0.06 -1.27 -0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3kfh s THR 89 Cb -0.12 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 72.10 3kfh s THR 89 CO 0.01 0.29 0.21 0.72 -0.54 0.00 0.00 174.62 175.31 3kfh s PHE 90 N -0.78 0.22 0.16 3.99 -0.71 -0.01 -0.55 117.98 120.30 3kfh s PHE 90 Ca 0.09 -0.63 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 3kfh s PHE 90 Cb -0.09 -0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.60 3kfh s PHE 90 CO 0.02 -0.58 -0.00 0.95 -1.34 0.00 0.00 175.22 174.27 3kfh s THR 91 N -3.89 0.64 -0.28 -4.49 -4.23 -0.20 -1.17 115.64 102.03 3kfh s THR 91 Ca 0.08 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 3kfh s THR 91 Cb 0.05 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3kfh s THR 91 CO -0.08 -0.52 0.38 -0.63 -0.54 0.00 0.00 174.62 173.23 3kfh s ILE 92 N -3.68 5.17 -0.13 2.99 1.09 -1.26 -1.40 121.20 123.98 3kfh s ILE 92 Ca 0.23 0.54 -0.28 0.00 -1.10 0.00 0.00 60.65 60.04 3kfh s ILE 92 Cb 0.06 -3.72 -0.27 0.00 -1.06 0.00 0.00 42.46 37.48 3kfh s ILE 92 CO 0.03 0.13 0.77 -0.07 -0.10 0.00 0.00 174.94 175.70 3kfh h LEU 93 N 8.63 0.08 -7.23 2.97 3.38 -1.22 -3.48 115.31 118.43 3kfh h LEU 93 Ca -0.31 -0.98 -0.09 0.00 0.09 0.00 0.00 57.88 56.59 3kfh h LEU 93 Cb 1.16 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.67 3kfh h LEU 93 CO 0.65 1.08 -0.09 -0.54 0.09 0.00 0.00 178.44 179.64 3kfh s LYS 94 N -2.26 0.70 -0.02 1.13 1.02 -1.22 -5.02 119.74 114.08 3kfh s LYS 94 Ca -0.18 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 3kfh s LYS 94 Cb -0.02 0.33 0.07 0.00 -0.52 0.00 0.00 37.83 37.70 3kfh s LYS 94 CO 0.71 -0.14 0.68 -0.08 -0.92 0.00 0.00 175.35 175.60 3kfh s THR 95 N -0.33 0.00 -1.27 2.17 -1.32 -1.26 -0.85 115.64 112.78 3kfh s THR 95 Ca -0.05 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.57 3kfh s THR 95 Cb -0.03 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.29 3kfh s THR 95 CO 0.03 0.00 1.25 -0.90 -2.21 0.00 0.00 174.62 172.79 3kfh n ASP 96 N 0.67 2.98 0.00 8.08 5.75 -1.05 -5.02 116.55 127.95 3kfh n ASP 96 Ca -0.18 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 3kfh n ASP 96 Cb 0.58 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3kfh n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3kfh n TYR 97 N 0.77 0.00 0.14 2.11 4.01 -1.25 -4.46 117.16 118.48 3kfh n TYR 97 Ca 0.13 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.97 3kfh n TYR 97 Cb 0.45 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.67 3kfh n TYR 97 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kfh n ASP 98 N 1.84 3.23 0.03 7.72 9.92 -1.26 -4.75 116.55 133.28 3kfh n ASP 98 Ca 0.00 -1.93 0.00 0.00 -0.53 0.00 0.00 54.79 52.33 3kfh n ASP 98 Cb 0.00 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 3kfh n ASP 98 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3kfh n ASN 99 N 1.21 -0.01 -4.17 -2.24 5.15 -1.26 -4.70 115.26 109.24 3kfh n ASN 99 Ca 0.17 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 54.13 3kfh n ASN 99 Cb 0.53 0.08 -0.10 0.00 -0.53 0.00 0.00 39.78 39.76 3kfh n ASN 99 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 3kfh s TYR 100 N -2.00 0.99 -0.05 1.20 -0.85 -1.26 -0.96 117.35 114.42 3kfh s TYR 100 Ca 0.00 -0.75 -0.07 0.00 -0.52 0.00 0.00 57.07 55.73 3kfh s TYR 100 Cb 0.00 -0.55 0.01 0.00 0.38 0.00 0.00 41.96 41.81 3kfh s TYR 100 CO 0.00 -0.05 0.18 -1.50 -1.52 0.00 0.00 175.55 172.66 3kfh s ILE 101 N -2.88 0.03 -0.13 -3.49 2.07 -0.64 -2.54 121.20 113.62 3kfh s ILE 101 Ca 0.08 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 3kfh s ILE 101 Cb 0.00 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.25 3kfh s ILE 101 CO -0.02 -0.14 -0.20 -0.04 -1.91 0.00 0.00 174.94 172.64 3kfh s MET 102 N -0.45 2.76 0.05 3.50 -1.94 -0.03 -1.18 119.30 122.01 3kfh s MET 102 Ca -0.05 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.20 3kfh s MET 102 Cb -0.04 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 3kfh s MET 102 CO 0.01 -0.01 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.94 3kfh s PHE 103 N 0.83 3.01 -0.11 -0.03 0.40 -0.15 -0.65 117.98 121.28 3kfh s PHE 103 Ca -0.08 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 3kfh s PHE 103 Cb -0.15 -1.59 0.01 0.00 0.51 0.00 0.00 43.02 41.79 3kfh s PHE 103 CO -0.01 0.46 -0.17 -1.58 0.70 0.00 0.00 175.22 174.62 3kfh s HIS 104 N -1.19 2.11 0.04 0.36 5.65 -0.49 -1.56 115.29 120.20 3kfh s HIS 104 Ca 0.22 -1.00 0.06 0.00 0.25 0.00 0.00 55.06 54.60 3kfh s HIS 104 Cb -0.12 -1.50 -0.02 0.00 -1.18 0.00 0.00 32.58 29.77 3kfh s HIS 104 CO 0.14 -0.49 -0.17 -1.17 -0.65 0.00 0.00 174.74 172.39 3kfh s LEU 105 N 0.92 2.16 -0.17 8.88 0.20 0.21 -1.03 118.68 129.84 3kfh s LEU 105 Ca -0.07 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.28 3kfh s LEU 105 Cb -0.15 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.82 3kfh s LEU 105 CO -0.01 0.11 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.35 3kfh s ILE 106 N -0.79 2.33 -0.11 6.68 1.01 0.29 -0.76 121.20 129.85 3kfh s ILE 106 Ca 0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 3kfh s ILE 106 Cb -0.08 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3kfh s ILE 106 CO 0.01 0.52 0.09 0.21 0.00 0.00 0.00 174.94 175.78 3kfh s ASN 107 N 1.07 6.01 -0.07 3.58 3.84 -0.21 -1.22 114.94 127.93 3kfh s ASN 107 Ca -0.01 0.36 0.04 0.00 0.21 0.00 0.00 52.86 53.46 3kfh s ASN 107 Cb -0.14 -1.88 0.00 0.00 -0.55 0.00 0.00 41.25 38.68 3kfh s ASN 107 CO -0.06 0.40 -0.18 -1.61 -2.79 0.00 0.00 177.10 172.86 3kfh s GLU 108 N -0.96 2.19 -0.20 0.43 2.02 0.08 -2.02 118.70 120.24 3kfh s GLU 108 Ca 0.14 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.37 3kfh s GLU 108 Cb -0.12 -1.76 0.06 0.00 0.10 0.00 0.00 34.13 32.41 3kfh s GLU 108 CO 0.03 0.15 0.49 0.21 0.02 0.00 0.00 175.26 176.16 3kfh s LYS 109 N 0.35 0.50 -1.70 1.61 2.20 -0.43 -1.02 119.74 121.25 3kfh s LYS 109 Ca -0.13 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 3kfh s LYS 109 Cb -0.15 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 3kfh s LYS 109 CO 0.05 -0.14 0.00 -3.47 -0.36 0.00 0.00 175.35 171.43 3kfh n ASP 110 N 3.94 -5.15 0.00 1.43 4.64 -1.26 -1.61 116.55 118.55 3kfh n ASP 110 Ca -0.20 0.22 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 3kfh n ASP 110 Cb 0.56 -4.22 0.00 0.00 -1.04 0.00 0.00 41.12 36.43 3kfh n ASP 110 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kfh n GLY 111 N -0.91 0.39 3.91 0.27 0.00 -1.26 -5.01 105.19 102.57 3kfh n GLY 111 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3kfh n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfh s LYS 112 N -0.70 3.63 0.14 1.61 -0.14 -0.63 -5.09 119.74 118.55 3kfh s LYS 112 Ca 0.00 -0.00 0.03 0.00 -1.36 0.00 0.00 55.97 54.64 3kfh s LYS 112 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 3kfh s LYS 112 CO 0.00 0.21 -0.08 -0.08 -0.76 0.00 0.00 175.35 174.65 3kfh s THR 113 N -2.09 1.00 0.14 2.17 -1.32 -1.26 -1.32 115.64 112.96 3kfh s THR 113 Ca 0.44 -2.02 -0.12 0.00 -1.21 0.00 0.00 61.69 58.77 3kfh s THR 113 Cb -0.11 -1.87 0.01 0.00 -1.51 0.00 0.00 72.50 69.03 3kfh s THR 113 CO 0.30 -0.72 0.34 0.72 -2.21 0.00 0.00 174.62 173.05 3kfh s PHE 114 N -3.44 0.07 0.07 9.09 -0.12 -0.86 -4.99 117.98 117.81 3kfh s PHE 114 Ca 0.17 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3kfh s PHE 114 Cb 0.04 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3kfh s PHE 114 CO 0.00 -0.71 0.10 -0.65 -0.05 0.00 0.00 175.22 173.91 3kfh s GLN 115 N -3.88 2.98 -0.01 1.99 -0.21 -1.26 -1.05 119.66 118.22 3kfh s GLN 115 Ca 0.09 -0.64 0.06 0.00 0.02 0.00 0.00 55.36 54.88 3kfh s GLN 115 Cb 0.02 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 3kfh s GLN 115 CO -0.07 0.58 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.33 3kfh s LEU 116 N -2.38 2.05 0.02 2.90 2.96 0.06 -2.76 118.68 121.53 3kfh s LEU 116 Ca 0.30 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3kfh s LEU 116 Cb -0.12 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 3kfh s LEU 116 CO 0.23 0.20 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.26 3kfh s MET 117 N -0.50 1.12 -0.02 1.98 -1.94 -0.02 -0.62 119.30 119.31 3kfh s MET 117 Ca 0.07 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3kfh s MET 117 Cb -0.07 -1.13 0.01 0.00 2.01 0.00 0.00 34.83 35.65 3kfh s MET 117 CO -0.00 0.29 -0.03 -1.21 -0.01 0.00 0.00 175.02 174.06 3kfh s GLU 118 N -0.86 0.37 -0.23 2.03 2.02 -0.60 -1.02 118.70 120.42 3kfh s GLU 118 Ca 0.04 -0.07 -0.04 0.00 0.02 0.00 0.00 54.97 54.92 3kfh s GLU 118 Cb -0.07 -0.42 -0.00 0.00 0.10 0.00 0.00 34.13 33.73 3kfh s GLU 118 CO 0.01 0.00 -0.04 -1.17 0.02 0.00 0.00 175.26 174.08 3kfh s LEU 119 N 0.35 2.96 0.13 1.80 2.96 -0.40 -0.98 118.68 125.50 3kfh s LEU 119 Ca -0.04 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3kfh s LEU 119 Cb -0.07 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3kfh s LEU 119 CO -0.01 -0.04 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.59 3kfh s TYR 120 N 1.46 2.74 0.15 5.38 2.02 -0.33 -1.12 117.35 127.65 3kfh s TYR 120 Ca 0.05 -0.17 0.09 0.00 -0.37 0.00 0.00 57.07 56.67 3kfh s TYR 120 Cb -0.15 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 3kfh s TYR 120 CO -0.03 0.46 -0.20 0.20 -1.57 0.00 0.00 175.55 174.41 3kfh s GLY 121 N -2.45 1.41 0.44 0.71 0.00 -0.08 -1.63 107.32 105.72 3kfh s GLY 121 Ca 0.23 -1.46 0.28 0.00 0.00 0.00 0.00 44.72 43.77 3kfh s GLY 121 CO 0.15 -1.49 1.81 3.21 0.00 0.00 0.00 173.10 176.77 3kfh h ARG 122 N 3.43 0.00 -5.74 2.90 2.47 -1.33 0.15 114.38 116.25 3kfh h ARG 122 Ca -0.44 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.68 3kfh h ARG 122 Cb 1.20 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.42 3kfh h ARG 122 CO 0.48 0.00 -0.51 0.15 0.56 0.00 0.00 179.97 180.65 3kfh s LYS 123 N -3.42 2.15 0.02 0.04 1.02 -1.26 -4.78 119.74 113.52 3kfh s LYS 123 Ca 0.04 -2.00 0.17 0.00 0.02 0.00 0.00 55.97 54.20 3kfh s LYS 123 Cb 0.08 -1.84 0.73 0.00 -0.52 0.00 0.00 37.83 36.28 3kfh s LYS 123 CO 0.56 -0.17 1.55 0.00 -0.92 0.00 0.00 175.35 176.37 3kfh n ALA 124 N -1.21 1.76 -2.31 5.17 0.00 -1.26 -4.56 120.51 118.09 3kfh n ALA 124 Ca -0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 3kfh n ALA 124 Cb 0.66 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 3kfh n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kfh s ASP 125 N -3.11 0.21 0.08 0.00 3.68 -1.26 -4.90 116.67 111.37 3kfh s ASP 125 Ca 0.08 -1.15 0.04 0.00 2.13 0.00 0.00 52.55 53.64 3kfh s ASP 125 Cb 0.11 0.35 -0.03 0.00 -1.45 0.00 0.00 42.92 41.89 3kfh s ASP 125 CO 0.31 -0.79 -0.10 -0.76 0.13 0.00 0.00 175.17 173.95 3kfh s LEU 126 N -3.05 2.35 0.93 -1.34 1.43 -1.26 -4.87 118.68 112.87 3kfh s LEU 126 Ca 0.25 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3kfh s LEU 126 Cb 0.06 -0.32 0.15 0.00 0.03 0.00 0.00 46.19 46.11 3kfh s LEU 126 CO 0.03 -0.21 1.10 0.54 0.23 0.00 0.00 176.35 178.03 3kfh s ASN 127 N -2.13 3.24 0.35 2.29 2.20 -1.26 -4.81 114.94 114.82 3kfh s ASN 127 Ca 0.01 1.34 0.11 0.00 -0.94 0.00 0.00 52.86 53.38 3kfh s ASN 127 Cb -0.06 -2.01 0.66 0.00 -2.00 0.00 0.00 41.25 37.84 3kfh s ASN 127 CO 0.00 -2.77 1.80 0.28 -2.94 0.00 0.00 177.10 173.48 3kfh h SER 128 N -1.64 0.08 -0.16 3.54 0.02 -2.01 -1.96 113.55 111.42 3kfh h SER 128 Ca -0.51 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3kfh h SER 128 Cb 1.30 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3kfh h SER 128 CO 0.56 0.44 0.09 -0.78 -1.14 0.00 0.00 176.83 176.00 3kfh h ASP 129 N 0.07 0.20 -0.40 3.07 1.82 -1.99 -0.12 116.42 119.07 3kfh h ASP 129 Ca 0.01 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 3kfh h ASP 129 Cb 0.67 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 3kfh h ASP 129 CO 0.05 0.23 0.18 0.40 -1.61 0.00 0.00 179.24 178.50 3kfh h ILE 130 N 0.15 1.18 -0.66 2.25 2.04 -1.87 -1.10 117.51 119.50 3kfh h ILE 130 Ca 0.06 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3kfh h ILE 130 Cb 0.08 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3kfh h ILE 130 CO -0.01 0.20 0.43 0.11 0.00 0.00 0.00 178.15 178.88 3kfh h LYS 131 N 0.51 0.85 -0.41 2.37 1.57 -1.21 -1.17 116.57 119.09 3kfh h LYS 131 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3kfh h LYS 131 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3kfh h LYS 131 CO -0.02 0.56 -0.13 1.49 -0.57 0.00 0.00 179.45 180.79 3kfh h GLU 132 N 0.88 0.74 -0.82 3.15 4.57 -0.71 0.12 114.58 122.50 3kfh h GLU 132 Ca 0.24 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3kfh h GLU 132 Cb -0.09 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3kfh h GLU 132 CO -0.06 0.84 0.39 0.87 -1.18 0.00 0.00 179.01 179.87 3kfh h LYS 133 N 0.67 1.18 -0.45 1.92 1.57 -0.87 -1.49 116.57 119.09 3kfh h LYS 133 Ca 0.11 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kfh h LYS 133 Cb 0.60 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3kfh h LYS 133 CO 0.04 0.91 0.29 0.35 -0.57 0.00 0.00 179.45 180.47 3kfh h PHE 134 N 1.16 0.58 -0.88 -1.35 3.57 -0.65 -1.67 116.94 117.71 3kfh h PHE 134 Ca 0.28 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.83 3kfh h PHE 134 Cb 0.12 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 3kfh h PHE 134 CO 0.01 0.38 0.56 0.28 -2.23 0.00 0.00 178.31 177.31 3kfh h VAL 135 N 0.61 1.10 -0.66 1.41 2.07 -0.59 0.46 116.25 120.65 3kfh h VAL 135 Ca 0.16 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3kfh h VAL 135 Cb -0.04 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 3kfh h VAL 135 CO -0.03 0.19 0.12 0.11 0.02 0.00 0.00 177.57 177.98 3kfh h LYS 136 N 1.05 1.08 -0.70 1.57 1.79 -1.02 -1.36 116.57 118.98 3kfh h LYS 136 Ca 0.36 -0.28 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 3kfh h LYS 136 Cb 0.08 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 3kfh h LYS 136 CO -0.14 0.98 0.26 -0.07 -1.08 0.00 0.00 179.45 179.40 3kfh h LEU 137 N 1.00 0.98 -0.22 2.94 3.38 -0.64 -1.23 115.31 121.51 3kfh h LEU 137 Ca 0.20 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kfh h LEU 137 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kfh h LEU 137 CO 0.01 0.88 0.07 0.00 0.09 0.00 0.00 178.44 179.49 3kfh h GLU 139 N 0.17 0.81 0.00 0.00 4.81 -0.76 0.26 114.58 119.87 3kfh h GLU 139 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kfh h GLU 139 Cb 0.07 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3kfh h GLU 139 CO -0.11 0.54 -0.01 0.93 -0.73 0.00 0.00 179.01 179.63 3kfh h GLU 140 N 0.84 0.00 -0.58 1.92 5.08 -0.81 -1.45 114.58 119.58 3kfh h GLU 140 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3kfh h GLU 140 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kfh h GLU 140 CO -0.11 0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.63 3kfh n HIS 141 N -3.16 1.37 -1.06 4.33 8.25 -0.08 -4.95 115.22 119.93 3kfh n HIS 141 Ca -0.02 -0.64 -0.02 0.00 -0.26 0.00 0.00 57.72 56.78 3kfh n HIS 141 Cb 0.16 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3kfh n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kfh n GLY 142 N 0.87 0.55 3.48 -1.41 0.00 -0.55 -4.99 105.19 103.14 3kfh n GLY 142 Ca 0.24 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3kfh n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfh s ILE 143 N -1.97 5.13 0.67 -0.61 1.01 -0.30 -4.88 121.20 120.25 3kfh s ILE 143 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 3kfh s ILE 143 Cb 0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 3kfh s ILE 143 CO 0.00 -0.39 1.05 0.27 0.00 0.00 0.00 174.94 175.88 3kfh s ILE 144 N 2.04 4.24 0.47 2.92 -4.36 -1.26 -2.69 121.20 122.56 3kfh s ILE 144 Ca 0.11 0.73 0.13 0.00 -0.26 0.00 0.00 60.65 61.35 3kfh s ILE 144 Cb -0.17 -3.60 0.24 0.00 1.25 0.00 0.00 42.46 40.18 3kfh s ILE 144 CO 0.13 -0.95 2.08 0.07 0.24 0.00 0.00 174.94 176.51 3kfh h LYS 145 N -0.56 0.14 0.00 0.37 2.10 -1.96 0.15 116.57 116.81 3kfh h LYS 145 Ca -0.44 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3kfh h LYS 145 Cb 1.21 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3kfh h LYS 145 CO 0.60 0.15 0.00 0.39 -2.00 0.00 0.00 179.45 178.58 3kfh n GLU 146 N -4.46 0.01 -0.66 0.07 4.71 -1.26 -2.53 120.64 116.52 3kfh n GLU 146 Ca -0.01 0.25 0.06 0.00 -0.01 0.00 0.00 57.16 57.44 3kfh n GLU 146 Cb 0.13 -1.53 0.30 0.00 -1.01 0.00 0.00 31.44 29.33 3kfh n GLU 146 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kfh n ASN 147 N -1.55 4.42 -4.20 1.62 5.03 0.04 -4.90 115.26 115.72 3kfh n ASN 147 Ca 0.04 -3.07 -0.34 0.00 0.87 0.00 0.00 54.58 52.08 3kfh n ASN 147 Cb 0.18 -0.61 -0.15 0.00 -1.02 0.00 0.00 39.78 38.18 3kfh n ASN 147 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kfh s ILE 148 N -2.87 2.59 -0.17 2.41 1.01 -1.05 -2.29 121.20 120.83 3kfh s ILE 148 Ca 0.47 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3kfh s ILE 148 Cb 0.38 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3kfh s ILE 148 CO 0.11 0.49 -0.02 -0.63 0.00 0.00 0.00 174.94 174.89 3kfh s ILE 149 N 1.33 3.99 -0.64 2.92 1.01 0.52 -4.96 121.20 125.36 3kfh s ILE 149 Ca 0.05 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 3kfh s ILE 149 Cb -0.14 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.62 3kfh s ILE 149 CO -0.08 0.47 1.01 -0.62 0.00 0.00 0.00 174.94 175.72 3kfh s ASP 150 N 0.57 6.22 0.16 3.58 3.68 -1.26 -1.58 116.67 128.03 3kfh s ASP 150 Ca -0.02 -0.71 0.21 0.00 2.13 0.00 0.00 52.55 54.16 3kfh s ASP 150 Cb -0.14 -2.45 0.85 0.00 -1.45 0.00 0.00 42.92 39.73 3kfh s ASP 150 CO 0.02 -1.45 1.63 0.18 0.13 0.00 0.00 175.17 175.68 3kfh n LEU 151 N 7.93 0.42 0.24 -1.34 4.77 0.17 -2.49 117.00 126.70 3kfh n LEU 151 Ca -0.01 0.60 0.16 0.00 -0.03 0.00 0.00 56.01 56.73 3kfh n LEU 151 Cb 0.47 -0.54 0.74 0.00 -2.33 0.00 0.00 43.42 41.75 3kfh n LEU 151 CO 0.65 -0.42 0.98 0.71 -1.33 0.00 0.00 177.39 177.98 3kfh h THR 152 N 0.00 0.00 -0.71 -5.08 1.35 -1.83 -1.94 112.91 104.70 3kfh h THR 152 Ca 0.00 -0.28 -0.40 0.00 -0.55 0.00 0.00 66.41 65.19 3kfh h THR 152 Cb 0.34 1.14 -0.23 0.00 -1.73 0.00 0.00 68.15 67.68 3kfh h THR 152 CO 0.00 0.00 0.29 0.29 -0.25 0.00 0.00 175.52 175.85 3kfh n LYS 153 N -2.77 2.19 -4.26 4.72 4.01 -1.04 -4.97 118.16 116.04 3kfh n LYS 153 Ca 0.00 -3.18 -0.16 0.00 -0.51 0.00 0.00 58.31 54.45 3kfh n LYS 153 Cb 0.21 -2.04 -0.09 0.00 -0.51 0.00 0.00 35.03 32.59 3kfh n LYS 153 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3kfh s THR 154 N -3.52 0.04 -0.55 -0.18 -4.23 -0.73 -5.09 115.64 101.38 3kfh s THR 154 Ca 0.52 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.75 3kfh s THR 154 Cb 0.45 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.81 3kfh s THR 154 CO 0.04 0.00 1.27 0.21 -0.54 0.00 0.00 174.62 175.60 3kfh s ASN 155 N -3.29 6.38 -0.04 3.99 2.47 -1.26 -4.85 114.94 118.34 3kfh s ASN 155 Ca 0.39 0.26 0.20 0.00 0.42 0.00 0.00 52.86 54.14 3kfh s ASN 155 Cb 0.04 -2.55 0.64 0.00 -1.45 0.00 0.00 41.25 37.94 3kfh s ASN 155 CO 0.20 -1.51 1.54 0.54 -3.72 0.00 0.00 177.10 174.16 3kfh n ARG 156 N 8.40 3.05 -2.84 0.43 1.74 -1.26 -4.91 116.66 121.28 3kfh n ARG 156 Ca 0.11 -2.69 -0.22 0.00 -0.77 0.00 0.00 57.85 54.28 3kfh n ARG 156 Cb 0.49 -1.65 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3kfh n ARG 156 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kfh h LEU 158 N -0.93 0.47 -2.71 0.00 3.38 -1.96 -0.78 115.31 112.78 3kfh h LEU 158 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3kfh h LEU 158 Cb 1.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3kfh h LEU 158 CO 0.57 0.34 0.00 0.07 0.09 0.00 0.00 178.44 179.51 3kfh h LYS 159 N 0.55 0.00 0.00 1.13 2.10 -2.04 -1.87 116.57 116.45 3kfh h LYS 159 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 3kfh h LYS 159 Cb -0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 3kfh h LYS 159 CO -0.03 0.00 -0.48 0.00 -2.00 0.00 0.00 179.45 176.94 3kfh n ALA 160 N -2.08 3.18 0.76 0.07 0.00 -0.30 -5.23 120.51 116.91 3kfh n ALA 160 Ca -0.02 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.19 3kfh n ALA 160 Cb 0.11 -1.18 0.36 0.00 0.00 0.00 0.00 19.45 18.74 3kfh n ALA 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04