#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfi s ASN 11 N 0.00 6.65 0.47 1.96 3.84 -1.26 -4.92 114.94 121.68 3kfi s ASN 11 Ca 0.00 -2.40 0.15 0.00 0.21 0.00 0.00 52.86 50.82 3kfi s ASN 11 Cb 0.00 -2.25 1.08 0.00 -0.55 0.00 0.00 41.25 39.52 3kfi s ASN 11 CO 0.00 -0.73 2.04 1.62 -2.79 0.00 0.00 177.10 177.24 3kfi h VAL 12 N 5.16 1.09 -0.74 -5.21 3.04 -2.03 -1.41 116.25 116.15 3kfi h VAL 12 Ca 0.06 -0.45 0.17 0.00 -1.01 0.00 0.00 66.70 65.47 3kfi h VAL 12 Cb 1.05 1.24 -0.04 0.00 -2.01 0.00 0.00 31.29 31.52 3kfi h VAL 12 CO 0.87 0.13 0.50 -0.33 -1.01 0.00 0.00 177.57 177.73 3kfi h GLU 13 N 0.00 0.25 0.00 4.17 4.39 -1.97 -1.07 114.58 120.34 3kfi h GLU 13 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kfi h GLU 13 Cb 0.23 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3kfi h GLU 13 CO 0.02 0.16 0.00 1.63 -1.16 0.00 0.00 179.01 179.66 3kfi n LYS 14 N -4.43 0.55 0.00 2.33 5.02 -0.53 -1.95 118.16 119.14 3kfi n LYS 14 Ca 0.14 0.03 0.14 0.00 -2.02 0.00 0.00 58.31 56.60 3kfi n LYS 14 Cb 0.63 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.61 3kfi n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kfi n ILE 15 N -1.14 0.00 -1.71 -0.18 -5.35 -0.41 -4.78 119.36 105.79 3kfi n ILE 15 Ca 0.15 -0.23 -0.40 0.00 -0.27 0.00 0.00 62.75 62.00 3kfi n ILE 15 Cb 0.13 0.52 0.03 0.00 -1.74 0.00 0.00 39.64 38.58 3kfi n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kfi n ASN 16 N 0.03 2.43 0.00 7.28 5.15 -0.82 -4.73 115.26 124.60 3kfi n ASN 16 Ca 0.17 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 3kfi n ASN 16 Cb 0.36 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 3kfi n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kfi n GLY 17 N 0.83 0.24 3.79 8.20 0.00 0.38 -4.96 105.19 113.67 3kfi n GLY 17 Ca 0.09 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 3kfi n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kfi s GLU 18 N 0.00 4.39 0.10 1.61 2.12 -1.26 -1.06 118.70 124.60 3kfi s GLU 18 Ca 0.00 0.95 -0.04 0.00 0.36 0.00 0.00 54.97 56.24 3kfi s GLU 18 Cb 0.00 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3kfi s GLU 18 CO 0.00 0.56 0.09 -1.58 -0.54 0.00 0.00 175.26 173.79 3kfi s TRP 19 N -0.98 0.50 0.02 5.30 0.52 -0.81 -4.71 118.94 118.79 3kfi s TRP 19 Ca 0.33 -0.95 0.07 0.00 0.02 0.00 0.00 56.10 55.57 3kfi s TRP 19 Cb -0.21 -0.28 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 3kfi s TRP 19 CO 0.22 -0.51 -0.20 -0.06 0.02 0.00 0.00 176.95 176.43 3kfi s PHE 20 N -3.95 1.76 0.02 -1.98 0.40 0.37 -3.88 117.98 110.72 3kfi s PHE 20 Ca 0.12 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.81 3kfi s PHE 20 Cb 0.06 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 3kfi s PHE 20 CO -0.06 0.05 0.91 -1.12 0.70 0.00 0.00 175.22 175.71 3kfi s SER 21 N -0.94 7.32 0.06 1.36 0.01 -1.26 -0.69 113.70 119.56 3kfi s SER 21 Ca 0.07 1.60 -0.02 0.00 1.31 0.00 0.00 55.95 58.91 3kfi s SER 21 Cb -0.08 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 3kfi s SER 21 CO 0.01 -0.17 -0.04 -0.38 0.41 0.00 0.00 173.24 173.06 3kfi n ILE 22 N 3.56 1.25 -4.87 1.44 2.08 0.13 -4.71 119.36 118.23 3kfi n ILE 22 Ca 0.03 0.37 -0.30 0.00 0.56 0.00 0.00 62.75 63.41 3kfi n ILE 22 Cb 0.51 -1.67 -0.14 0.00 -0.75 0.00 0.00 39.64 37.58 3kfi n ILE 22 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3kfi s LEU 23 N -7.07 2.27 -0.03 1.39 1.43 -0.94 -0.43 118.68 115.30 3kfi s LEU 23 Ca -0.03 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3kfi s LEU 23 Cb 0.00 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.90 3kfi s LEU 23 CO 0.05 0.26 -0.03 -0.22 0.23 0.00 0.00 176.35 176.64 3kfi s LEU 24 N -1.25 1.49 -0.05 1.79 2.96 -0.38 -1.32 118.68 121.92 3kfi s LEU 24 Ca 0.12 -0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3kfi s LEU 24 Cb -0.10 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.30 3kfi s LEU 24 CO 0.03 -0.03 0.20 0.00 -1.32 0.00 0.00 176.35 175.22 3kfi s ALA 25 N 0.62 -0.49 -0.02 5.97 0.00 -0.18 -0.29 121.76 127.37 3kfi s ALA 25 Ca -0.07 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 3kfi s ALA 25 Cb -0.10 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3kfi s ALA 25 CO -0.01 -0.15 0.54 0.45 0.00 0.00 0.00 175.76 176.60 3kfi s SER 26 N -0.44 -0.48 0.00 0.00 0.15 -0.98 -0.58 113.70 111.37 3kfi s SER 26 Ca -0.05 0.42 0.22 0.00 0.70 0.00 0.00 55.95 57.24 3kfi s SER 26 Cb -0.04 0.47 1.19 0.00 -1.71 0.00 0.00 66.02 65.93 3kfi s SER 26 CO 0.01 -0.59 1.78 -0.90 1.20 0.00 0.00 173.24 174.74 3kfi n ASP 27 N 0.90 0.45 -3.77 5.45 5.68 -1.17 -4.20 116.55 119.89 3kfi n ASP 27 Ca -0.20 -1.40 -0.29 0.00 -0.50 0.00 0.00 54.79 52.40 3kfi n ASP 27 Cb 0.57 -0.02 -0.13 0.00 -1.14 0.00 0.00 41.12 40.41 3kfi n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3kfi s LYS 28 N -1.96 1.64 0.43 0.11 2.20 -1.26 -4.97 119.74 115.93 3kfi s LYS 28 Ca 0.33 -2.42 0.09 0.00 -0.36 0.00 0.00 55.97 53.61 3kfi s LYS 28 Cb 0.16 -2.68 0.95 0.00 -1.51 0.00 0.00 37.83 34.75 3kfi s LYS 28 CO 0.26 -1.20 2.07 -0.09 -0.36 0.00 0.00 175.35 176.04 3kfi h ARG 29 N 6.30 0.43 -0.45 4.03 2.43 -1.95 -1.35 114.38 123.83 3kfi h ARG 29 Ca 0.03 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 3kfi h ARG 29 Cb 0.88 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3kfi h ARG 29 CO 0.56 0.28 0.36 1.05 -1.51 0.00 0.00 179.97 180.72 3kfi h GLU 30 N 0.44 0.00 0.00 0.20 4.11 -1.95 -1.32 114.58 116.06 3kfi h GLU 30 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3kfi h GLU 30 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kfi h GLU 30 CO -0.03 0.00 0.00 0.87 0.07 0.00 0.00 179.01 179.92 3kfi h LYS 31 N 0.00 0.00 -0.01 1.06 1.79 -1.63 -3.06 116.57 114.73 3kfi h LYS 31 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3kfi h LYS 31 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3kfi h LYS 31 CO -0.00 0.00 -0.06 0.44 -1.08 0.00 0.00 179.45 178.74 3kfi n ILE 32 N -2.52 0.00 -1.43 1.86 -5.35 -0.54 -0.71 119.36 110.68 3kfi n ILE 32 Ca 0.02 -0.47 -0.29 0.00 -0.27 0.00 0.00 62.75 61.74 3kfi n ILE 32 Cb 0.30 1.10 0.18 0.00 -1.74 0.00 0.00 39.64 39.47 3kfi n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3kfi s GLU 33 N -0.76 0.35 0.33 6.28 2.02 -0.98 -4.62 118.70 121.32 3kfi s GLU 33 Ca 0.06 0.11 -0.28 0.00 0.02 0.00 0.00 54.97 54.88 3kfi s GLU 33 Cb 0.05 -1.76 -0.12 0.00 0.10 0.00 0.00 34.13 32.39 3kfi s GLU 33 CO 0.11 -2.70 1.28 0.39 0.02 0.00 0.00 175.26 174.36 3kfi n GLU 34 N -4.08 2.07 -0.87 1.61 1.02 -1.26 -0.63 120.64 118.50 3kfi n GLU 34 Ca 0.09 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 3kfi n GLU 34 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3kfi n GLU 34 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kfi n HIS 35 N 0.45 0.00 -2.71 -0.32 8.25 -1.26 -5.01 115.22 114.62 3kfi n HIS 35 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 3kfi n HIS 35 Cb 0.35 -0.48 -0.06 0.00 1.12 0.00 0.00 29.99 30.93 3kfi n HIS 35 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kfi s GLY 36 N -2.00 2.61 0.53 -1.41 0.00 0.20 -4.94 107.32 102.31 3kfi s GLY 36 Ca 0.00 0.54 0.26 0.00 0.00 0.00 0.00 44.72 45.52 3kfi s GLY 36 CO 0.00 0.91 2.11 1.48 0.00 0.00 0.00 173.10 177.60 3kfi h SER 37 N 2.40 0.00 -0.69 1.64 4.64 -1.83 -2.64 113.55 117.07 3kfi h SER 37 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kfi h SER 37 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kfi h SER 37 CO 0.62 0.09 0.00 0.23 -0.87 0.00 0.00 176.83 176.91 3kfi n MET 38 N -3.79 3.24 -2.36 4.77 2.81 0.12 -4.63 117.12 117.27 3kfi n MET 38 Ca -0.02 -2.78 -0.43 0.00 -1.81 0.00 0.00 57.70 52.66 3kfi n MET 38 Cb 0.20 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 3kfi n MET 38 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3kfi n ARG 39 N 1.39 3.29 -4.31 0.03 0.63 -1.00 -4.81 116.66 111.89 3kfi n ARG 39 Ca 0.25 -3.32 -0.23 0.00 -0.92 0.00 0.00 57.85 53.63 3kfi n ARG 39 Cb 0.76 -3.15 -0.12 0.00 0.45 0.00 0.00 32.46 30.39 3kfi n ARG 39 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3kfi s VAL 40 N 2.10 1.79 -0.20 5.15 -7.23 -1.26 -4.44 120.40 116.30 3kfi s VAL 40 Ca 0.45 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 3kfi s VAL 40 Cb 0.07 -1.69 0.05 0.00 0.56 0.00 0.00 36.38 35.36 3kfi s VAL 40 CO -0.01 -0.15 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.20 3kfi s PHE 41 N -1.50 2.20 0.49 2.82 0.08 0.16 -4.95 117.98 117.27 3kfi s PHE 41 Ca 0.10 -1.51 -0.21 0.00 0.12 0.00 0.00 56.93 55.43 3kfi s PHE 41 Cb -0.08 -1.52 -0.08 0.00 -0.57 0.00 0.00 43.02 40.77 3kfi s PHE 41 CO 0.05 -0.72 1.08 0.54 -0.10 0.00 0.00 175.22 176.07 3kfi s VAL 42 N 1.46 3.53 -0.02 -0.44 0.11 -1.26 -0.64 120.40 123.13 3kfi s VAL 42 Ca -0.02 1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 60.02 3kfi s VAL 42 Cb -0.17 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 3kfi s VAL 42 CO -0.07 -0.16 -0.02 1.21 -3.33 0.00 0.00 175.10 172.73 3kfi n GLU 43 N -0.88 0.06 -3.76 1.54 2.13 0.39 -4.09 120.64 116.01 3kfi n GLU 43 Ca 0.09 0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 3kfi n GLU 43 Cb 0.51 -0.90 -0.06 0.00 0.27 0.00 0.00 31.44 31.26 3kfi n GLU 43 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3kfi s HIS 44 N -2.05 -0.01 -0.13 4.31 -3.43 -1.18 -1.92 115.29 110.89 3kfi s HIS 44 Ca -0.03 -0.35 -0.00 0.00 -0.80 0.00 0.00 55.06 53.88 3kfi s HIS 44 Cb 0.01 0.07 0.03 0.00 -1.43 0.00 0.00 32.58 31.26 3kfi s HIS 44 CO 0.05 -0.60 -0.10 0.42 -2.00 0.00 0.00 174.74 172.51 3kfi s ILE 45 N -3.69 1.29 -0.21 -5.38 1.01 -0.23 -1.99 121.20 112.00 3kfi s ILE 45 Ca 0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 3kfi s ILE 45 Cb 0.03 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3kfi s ILE 45 CO -0.11 0.38 0.07 -1.00 0.00 0.00 0.00 174.94 174.28 3kfi s HIS 46 N 1.60 3.16 -0.22 3.97 3.76 0.52 -0.47 115.29 127.61 3kfi s HIS 46 Ca 0.04 -0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.61 3kfi s HIS 46 Cb -0.13 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3kfi s HIS 46 CO -0.09 -0.08 0.61 0.08 -0.85 0.00 0.00 174.74 174.40 3kfi s VAL 47 N 0.95 5.02 0.49 -0.90 1.01 -1.26 -0.59 120.40 125.13 3kfi s VAL 47 Ca 0.04 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.17 3kfi s VAL 47 Cb -0.14 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3kfi s VAL 47 CO 0.03 0.09 0.16 -0.76 0.00 0.00 0.00 175.10 174.62 3kfi s LEU 48 N 2.12 2.64 0.22 3.92 1.02 -0.45 -5.01 118.68 123.14 3kfi s LEU 48 Ca 0.27 -1.39 -0.08 0.00 0.02 0.00 0.00 54.13 52.95 3kfi s LEU 48 Cb -0.16 -1.03 0.28 0.00 0.02 0.00 0.00 46.19 45.30 3kfi s LEU 48 CO 0.09 -0.83 1.80 -0.08 0.02 0.00 0.00 176.35 177.36 3kfi h GLU 49 N 1.22 0.67 0.00 1.70 4.22 -2.02 -3.16 114.58 117.21 3kfi h GLU 49 Ca -0.42 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3kfi h GLU 49 Cb 1.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3kfi h GLU 49 CO 0.69 0.45 -0.01 -1.71 -2.18 0.00 0.00 179.01 176.24 3kfi n ASN 50 N -4.79 2.00 -3.76 1.04 5.15 -1.26 -5.05 115.26 108.59 3kfi n ASN 50 Ca 0.10 -2.38 -0.04 0.00 -0.60 0.00 0.00 54.58 51.65 3kfi n ASN 50 Cb 0.20 -0.17 -0.01 0.00 -0.53 0.00 0.00 39.78 39.26 3kfi n ASN 50 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kfi s SER 51 N -1.69 -0.18 -0.10 1.20 1.04 -1.20 -1.31 113.70 111.46 3kfi s SER 51 Ca 0.12 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.14 3kfi s SER 51 Cb 0.11 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.76 3kfi s SER 51 CO 0.01 -0.97 -0.20 -0.76 0.98 0.00 0.00 173.24 172.31 3kfi s LEU 52 N -2.95 1.93 -0.26 2.42 1.43 0.12 -1.34 118.68 120.03 3kfi s LEU 52 Ca 0.12 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3kfi s LEU 52 Cb -0.02 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3kfi s LEU 52 CO 0.03 0.10 0.08 0.00 0.23 0.00 0.00 176.35 176.79 3kfi s ALA 53 N 0.55 3.16 -0.04 4.21 0.00 0.25 -0.62 121.76 129.27 3kfi s ALA 53 Ca -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3kfi s ALA 53 Cb -0.17 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 3kfi s ALA 53 CO 0.05 -0.54 -0.00 -0.06 0.00 0.00 0.00 175.76 175.21 3kfi s PHE 54 N 1.61 3.10 -0.14 0.00 0.40 0.51 -0.35 117.98 123.11 3kfi s PHE 54 Ca 0.06 0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 3kfi s PHE 54 Cb -0.15 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 3kfi s PHE 54 CO 0.04 0.45 -0.11 0.21 0.70 0.00 0.00 175.22 176.51 3kfi s LYS 55 N -1.23 3.43 0.26 0.44 2.20 -0.84 -1.50 119.74 122.49 3kfi s LYS 55 Ca 0.16 -0.66 0.11 0.00 -0.36 0.00 0.00 55.97 55.22 3kfi s LYS 55 Cb -0.11 -2.69 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 3kfi s LYS 55 CO 0.06 0.20 -0.19 -0.06 -0.36 0.00 0.00 175.35 175.01 3kfi s PHE 56 N 0.40 2.12 0.25 4.03 0.40 0.51 -0.46 117.98 125.24 3kfi s PHE 56 Ca -0.09 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 55.92 3kfi s PHE 56 Cb -0.16 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 3kfi s PHE 56 CO 0.05 0.61 0.06 -1.01 0.70 0.00 0.00 175.22 175.63 3kfi s HIS 57 N -2.62 2.84 0.09 0.36 3.76 0.19 -0.74 115.29 119.16 3kfi s HIS 57 Ca 0.28 -0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 54.90 3kfi s HIS 57 Cb -0.04 -1.28 0.01 0.00 1.11 0.00 0.00 32.58 32.38 3kfi s HIS 57 CO 0.13 0.58 0.25 -0.08 -0.85 0.00 0.00 174.74 174.77 3kfi s THR 58 N -2.20 0.12 -0.22 1.30 -1.32 0.15 -0.67 115.64 112.80 3kfi s THR 58 Ca 0.31 -0.98 -0.12 0.00 -1.21 0.00 0.00 61.69 59.69 3kfi s THR 58 Cb -0.07 -1.24 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 3kfi s THR 58 CO 0.21 -0.54 0.23 -0.69 -2.21 0.00 0.00 174.62 171.62 3kfi s VAL 59 N -3.67 5.32 -0.23 5.08 1.01 -1.26 -0.74 120.40 125.90 3kfi s VAL 59 Ca 0.03 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3kfi s VAL 59 Cb 0.03 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.90 3kfi s VAL 59 CO -0.10 0.33 -0.13 -0.63 0.00 0.00 0.00 175.10 174.57 3kfi s ILE 60 N 1.07 2.04 -1.53 2.22 1.01 0.06 -4.71 121.20 121.35 3kfi s ILE 60 Ca 0.11 -1.37 -0.13 0.00 0.00 0.00 0.00 60.65 59.26 3kfi s ILE 60 Cb -0.14 -2.08 0.08 0.00 0.01 0.00 0.00 42.46 40.34 3kfi s ILE 60 CO 0.05 0.13 0.96 0.47 0.00 0.00 0.00 174.94 176.55 3kfi n ASP 61 N 4.52 -4.58 0.00 3.58 8.00 -1.26 -1.48 116.55 125.34 3kfi n ASP 61 Ca -0.16 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3kfi n ASP 61 Cb 0.45 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 3kfi n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kfi n GLY 62 N -1.68 1.35 3.45 0.44 0.00 -1.26 -5.04 105.19 102.46 3kfi n GLY 62 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3kfi n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kfi s GLU 63 N -0.42 2.65 0.32 1.61 2.02 -0.55 -5.07 118.70 119.28 3kfi s GLU 63 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 54.01 3kfi s GLU 63 Cb 0.00 -2.42 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 3kfi s GLU 63 CO 0.00 0.55 1.15 0.00 0.02 0.00 0.00 175.26 176.98 3kfi s SER 65 N -0.90 -0.02 0.24 0.00 0.15 0.08 -4.91 113.70 108.34 3kfi s SER 65 Ca 0.49 -0.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 3kfi s SER 65 Cb -0.33 0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.16 3kfi s SER 65 CO 0.42 -0.30 0.53 -1.61 1.20 0.00 0.00 173.24 173.49 3kfi s GLU 66 N -1.04 3.73 -0.04 5.44 2.02 -1.26 -0.67 118.70 126.88 3kfi s GLU 66 Ca -0.11 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.04 3kfi s GLU 66 Cb -0.06 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.53 3kfi s GLU 66 CO 0.01 0.30 -0.01 0.42 0.02 0.00 0.00 175.26 176.00 3kfi s ILE 67 N -1.88 0.30 -0.13 -1.63 1.01 0.08 -4.92 121.20 114.03 3kfi s ILE 67 Ca 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 61.15 3kfi s ILE 67 Cb -0.11 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 3kfi s ILE 67 CO 0.24 0.19 -0.13 -0.36 0.00 0.00 0.00 174.94 174.88 3kfi s PHE 68 N 1.19 2.82 0.06 3.97 0.40 -1.26 -0.36 117.98 124.79 3kfi s PHE 68 Ca -0.07 -0.67 0.05 0.00 -0.60 0.00 0.00 56.93 55.64 3kfi s PHE 68 Cb -0.13 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3kfi s PHE 68 CO -0.02 -0.23 -0.14 -0.51 0.70 0.00 0.00 175.22 175.02 3kfi s LEU 69 N 0.40 2.24 -0.12 -0.37 1.43 -0.56 -5.00 118.68 116.69 3kfi s LEU 69 Ca -0.10 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3kfi s LEU 69 Cb -0.16 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.53 3kfi s LEU 69 CO 0.05 -0.04 -0.18 -0.69 0.23 0.00 0.00 176.35 175.72 3kfi s VAL 70 N -1.12 1.74 -0.18 -1.59 1.01 -1.26 -0.36 120.40 118.62 3kfi s VAL 70 Ca -0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3kfi s VAL 70 Cb -0.09 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3kfi s VAL 70 CO 0.02 0.49 0.01 0.00 0.00 0.00 0.00 175.10 175.62 3kfi s ALA 71 N 0.94 3.15 0.02 5.51 0.00 0.21 -4.73 121.76 126.85 3kfi s ALA 71 Ca -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3kfi s ALA 71 Cb -0.15 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 3kfi s ALA 71 CO -0.02 0.06 0.29 -0.51 0.00 0.00 0.00 175.76 175.57 3kfi s ASP 72 N 0.62 6.50 0.41 0.00 1.01 -0.32 -0.71 116.67 124.19 3kfi s ASP 72 Ca 0.00 0.57 -0.26 0.00 0.71 0.00 0.00 52.55 53.58 3kfi s ASP 72 Cb -0.14 -2.09 -0.10 0.00 1.01 0.00 0.00 42.92 41.60 3kfi s ASP 72 CO 0.02 0.23 1.35 0.29 0.21 0.00 0.00 175.17 177.27 3kfi n LYS 73 N 1.02 2.15 -1.14 8.23 5.02 -0.43 -0.84 118.16 132.17 3kfi n LYS 73 Ca -0.10 0.76 -0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3kfi n LYS 73 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 3kfi n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kfi n THR 74 N -0.05 0.00 1.74 -0.18 -2.24 -0.74 -4.82 114.28 107.98 3kfi n THR 74 Ca 0.05 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.96 3kfi n THR 74 Cb 0.40 -0.88 0.85 0.00 -2.10 0.00 0.00 70.33 68.59 3kfi n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kfi n GLU 75 N -0.91 0.78 -3.83 -0.78 1.02 -1.26 -4.69 120.64 110.96 3kfi n GLU 75 Ca 0.00 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.75 3kfi n GLU 75 Cb 0.01 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 3kfi n GLU 75 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kfi s LYS 76 N -2.24 3.81 0.25 3.49 3.01 -1.26 -5.04 119.74 121.75 3kfi s LYS 76 Ca 0.39 -0.41 -0.31 0.00 -1.01 0.00 0.00 55.97 54.63 3kfi s LYS 76 Cb 0.21 -3.34 -0.13 0.00 -1.01 0.00 0.00 37.83 33.57 3kfi s LYS 76 CO 0.41 -0.03 1.52 0.00 0.51 0.00 0.00 175.35 177.76 3kfi n ALA 77 N 4.47 1.78 -0.11 5.17 0.00 -1.26 -1.80 120.51 128.76 3kfi n ALA 77 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3kfi n ALA 77 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3kfi n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kfi n GLY 78 N 2.46 2.31 3.84 0.00 0.00 -1.26 -5.01 105.19 107.53 3kfi n GLY 78 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3kfi n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kfi s GLU 79 N -0.16 3.42 0.21 1.61 2.12 -0.75 -4.39 118.70 120.76 3kfi s GLU 79 Ca 0.00 -0.18 0.10 0.00 0.36 0.00 0.00 54.97 55.25 3kfi s GLU 79 Cb 0.00 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 3kfi s GLU 79 CO 0.00 0.74 -0.20 0.71 -0.54 0.00 0.00 175.26 175.97 3kfi s TYR 80 N -0.92 2.05 0.05 5.30 1.51 -0.37 -1.79 117.35 123.17 3kfi s TYR 80 Ca 0.14 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3kfi s TYR 80 Cb -0.12 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 3kfi s TYR 80 CO 0.03 0.48 -0.11 -1.54 -1.11 0.00 0.00 175.55 173.30 3kfi s SER 81 N -2.99 1.26 -0.19 2.29 1.04 -0.02 -0.77 113.70 114.33 3kfi s SER 81 Ca 0.22 -0.52 -0.18 0.00 0.48 0.00 0.00 55.95 55.95 3kfi s SER 81 Cb -0.05 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.09 3kfi s SER 81 CO 0.10 -0.10 0.51 0.54 0.98 0.00 0.00 173.24 175.27 3kfi s VAL 82 N -1.14 0.00 -0.22 5.02 0.11 -0.16 -1.17 120.40 122.84 3kfi s VAL 82 Ca -0.04 -0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.78 3kfi s VAL 82 Cb -0.09 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3kfi s VAL 82 CO 0.01 -0.01 0.70 -0.04 -3.33 0.00 0.00 175.10 172.44 3kfi s MET 83 N 0.22 4.19 -0.30 1.54 -1.94 -1.26 -0.89 119.30 120.86 3kfi s MET 83 Ca -0.00 0.72 -0.09 0.00 -1.71 0.00 0.00 55.69 54.61 3kfi s MET 83 Cb -0.04 -3.61 0.17 0.00 2.01 0.00 0.00 34.83 33.37 3kfi s MET 83 CO 0.01 -0.35 0.84 -0.47 -0.01 0.00 0.00 175.02 175.04 3kfi s TYR 84 N 2.28 -1.02 -1.44 -0.03 5.04 -1.26 -4.93 117.35 115.99 3kfi s TYR 84 Ca 0.31 1.33 -0.05 0.00 -2.44 0.00 0.00 57.07 56.21 3kfi s TYR 84 Cb -0.16 0.45 0.04 0.00 0.35 0.00 0.00 41.96 42.64 3kfi s TYR 84 CO 0.10 -0.54 0.67 -3.47 -1.34 0.00 0.00 175.55 170.96 3kfi n ASP 85 N 5.33 -1.88 0.00 4.32 2.03 -1.26 -4.52 116.55 120.58 3kfi n ASP 85 Ca -0.06 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.34 3kfi n ASP 85 Cb 0.52 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 3kfi n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kfi n GLY 86 N -1.73 -0.41 3.35 0.27 0.00 -1.26 -4.79 105.19 100.62 3kfi n GLY 86 Ca -0.18 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 3kfi n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kfi s PHE 87 N 0.00 2.91 0.01 1.61 5.36 -0.10 -4.35 117.98 123.43 3kfi s PHE 87 Ca 0.00 -0.77 0.07 0.00 -0.96 0.00 0.00 56.93 55.27 3kfi s PHE 87 Cb 0.00 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 3kfi s PHE 87 CO 0.00 -0.37 -0.22 -0.80 -1.46 0.00 0.00 175.22 172.37 3kfi s ASN 88 N 0.93 3.48 0.17 6.13 0.01 -0.06 -0.38 114.94 125.22 3kfi s ASN 88 Ca -0.01 -0.45 0.11 0.00 -0.71 0.00 0.00 52.86 51.80 3kfi s ASN 88 Cb -0.15 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 3kfi s ASN 88 CO 0.00 0.28 -0.24 0.42 -1.51 0.00 0.00 177.10 176.06 3kfi s THR 89 N -0.79 2.26 0.12 1.60 -4.23 -0.35 -0.98 115.64 113.26 3kfi s THR 89 Ca 0.12 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.56 3kfi s THR 89 Cb -0.10 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.72 3kfi s THR 89 CO 0.02 -0.08 0.34 0.72 -0.54 0.00 0.00 174.62 175.09 3kfi s PHE 90 N -1.53 -0.09 0.17 3.99 -0.71 0.05 -0.42 117.98 119.45 3kfi s PHE 90 Ca 0.18 -0.26 0.03 0.00 -1.04 0.00 0.00 56.93 55.83 3kfi s PHE 90 Cb -0.08 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.85 3kfi s PHE 90 CO 0.08 -0.67 -0.02 0.95 -1.34 0.00 0.00 175.22 174.23 3kfi s THR 91 N -3.83 0.82 -0.23 -4.49 -4.23 -0.27 -1.24 115.64 102.18 3kfi s THR 91 Ca 0.04 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 3kfi s THR 91 Cb 0.03 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 3kfi s THR 91 CO -0.11 -0.52 0.31 -0.63 -0.54 0.00 0.00 174.62 173.13 3kfi s ILE 92 N -3.56 5.25 -0.17 2.99 1.01 -1.26 -1.60 121.20 123.86 3kfi s ILE 92 Ca 0.23 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 61.14 3kfi s ILE 92 Cb 0.05 -3.65 -0.21 0.00 0.01 0.00 0.00 42.46 38.66 3kfi s ILE 92 CO 0.04 0.26 0.47 -0.07 0.00 0.00 0.00 174.94 175.64 3kfi h LEU 93 N 7.82 0.00 -7.51 2.97 3.38 -1.23 -3.48 115.31 117.26 3kfi h LEU 93 Ca -0.36 -0.72 -0.14 0.00 0.09 0.00 0.00 57.88 56.76 3kfi h LEU 93 Cb 1.17 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 3kfi h LEU 93 CO 0.68 1.18 -0.34 -0.54 0.09 0.00 0.00 178.44 179.51 3kfi s LYS 94 N -2.26 0.51 -0.04 1.13 1.02 -1.21 -5.01 119.74 113.88 3kfi s LYS 94 Ca -0.22 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 3kfi s LYS 94 Cb 0.01 0.23 0.08 0.00 -0.52 0.00 0.00 37.83 37.63 3kfi s LYS 94 CO 0.61 -0.11 0.71 -0.08 -0.92 0.00 0.00 175.35 175.55 3kfi s THR 95 N -0.71 0.00 -0.73 2.17 -1.32 -1.26 -0.77 115.64 113.01 3kfi s THR 95 Ca -0.08 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.52 3kfi s THR 95 Cb -0.04 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.29 3kfi s THR 95 CO 0.02 0.00 1.28 -0.90 -2.21 0.00 0.00 174.62 172.81 3kfi n ASP 96 N 0.75 3.09 0.00 8.08 5.75 -1.06 -5.02 116.55 128.14 3kfi n ASP 96 Ca -0.18 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3kfi n ASP 96 Cb 0.58 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3kfi n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3kfi n TYR 97 N 0.26 0.00 0.16 2.11 4.01 -1.25 -4.48 117.16 117.96 3kfi n TYR 97 Ca 0.13 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.96 3kfi n TYR 97 Cb 0.52 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.71 3kfi n TYR 97 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3kfi n ASP 98 N 1.28 2.99 0.04 7.72 3.85 -1.26 -4.73 116.55 126.44 3kfi n ASP 98 Ca 0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 3kfi n ASP 98 Cb 0.00 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 3kfi n ASP 98 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3kfi n ASN 99 N 1.02 0.05 -4.13 -1.12 3.02 -1.26 -4.70 115.26 108.13 3kfi n ASN 99 Ca 0.14 0.13 -0.12 0.00 -0.03 0.00 0.00 54.58 54.70 3kfi n ASN 99 Cb 0.48 0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.61 3kfi n ASN 99 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3kfi s TYR 100 N -2.00 0.84 -0.06 3.10 -0.85 -1.26 -1.06 117.35 116.06 3kfi s TYR 100 Ca 0.00 -0.73 -0.08 0.00 -0.52 0.00 0.00 57.07 55.73 3kfi s TYR 100 Cb 0.00 -0.49 0.02 0.00 0.38 0.00 0.00 41.96 41.87 3kfi s TYR 100 CO 0.00 -0.11 0.22 -1.50 -1.52 0.00 0.00 175.55 172.64 3kfi s ILE 101 N -2.68 0.02 -0.14 -3.49 2.07 -0.59 -2.56 121.20 113.84 3kfi s ILE 101 Ca 0.03 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.12 3kfi s ILE 101 Cb -0.01 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.22 3kfi s ILE 101 CO -0.02 -0.09 -0.20 -0.04 -1.91 0.00 0.00 174.94 172.67 3kfi s MET 102 N -0.29 2.79 0.10 3.50 -1.94 0.05 -0.90 119.30 122.60 3kfi s MET 102 Ca -0.04 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 3kfi s MET 102 Cb -0.03 -2.30 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 3kfi s MET 102 CO 0.01 -0.06 -0.04 -0.06 -0.01 0.00 0.00 175.02 174.87 3kfi s PHE 103 N 0.93 2.89 -0.13 -0.03 0.40 -0.09 -0.65 117.98 121.30 3kfi s PHE 103 Ca -0.05 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3kfi s PHE 103 Cb -0.15 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 41.91 3kfi s PHE 103 CO -0.03 0.46 -0.13 -1.58 0.70 0.00 0.00 175.22 174.64 3kfi s HIS 104 N -1.31 1.97 0.06 0.36 5.65 -0.62 -1.78 115.29 119.62 3kfi s HIS 104 Ca 0.24 -1.04 0.07 0.00 0.25 0.00 0.00 55.06 54.59 3kfi s HIS 104 Cb -0.11 -1.47 -0.03 0.00 -1.18 0.00 0.00 32.58 29.79 3kfi s HIS 104 CO 0.17 -0.58 -0.20 -1.17 -0.65 0.00 0.00 174.74 172.31 3kfi s LEU 105 N 1.38 2.21 -0.14 8.88 0.20 0.52 -1.11 118.68 130.62 3kfi s LEU 105 Ca 0.02 -0.56 0.02 0.00 0.69 0.00 0.00 54.13 54.29 3kfi s LEU 105 Cb -0.13 -0.88 0.02 0.00 -0.43 0.00 0.00 46.19 44.76 3kfi s LEU 105 CO -0.08 0.11 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.28 3kfi s ILE 106 N -0.93 1.83 -0.11 6.68 1.01 0.44 -0.45 121.20 129.67 3kfi s ILE 106 Ca 0.06 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 3kfi s ILE 106 Cb -0.09 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3kfi s ILE 106 CO 0.02 0.50 0.13 0.21 0.00 0.00 0.00 174.94 175.80 3kfi s ASN 107 N 1.09 6.25 -0.08 3.58 3.84 -0.19 -1.21 114.94 128.22 3kfi s ASN 107 Ca -0.02 0.42 0.03 0.00 0.21 0.00 0.00 52.86 53.50 3kfi s ASN 107 Cb -0.14 -1.99 0.01 0.00 -0.55 0.00 0.00 41.25 38.57 3kfi s ASN 107 CO -0.06 0.39 -0.17 -0.70 -2.79 0.00 0.00 177.10 173.77 3kfi s GLU 108 N -1.09 2.21 -0.21 0.43 -6.30 0.49 -1.96 118.70 112.28 3kfi s GLU 108 Ca 0.16 -0.61 -0.12 0.00 -2.50 0.00 0.00 54.97 51.90 3kfi s GLU 108 Cb -0.12 -1.75 0.06 0.00 0.00 0.00 0.00 34.13 32.32 3kfi s GLU 108 CO 0.05 0.11 0.50 0.21 0.02 0.00 0.00 175.26 176.15 3kfi s LYS 109 N 0.48 0.51 -1.47 4.30 2.20 -0.38 -0.93 119.74 124.44 3kfi s LYS 109 Ca -0.15 0.92 -0.05 0.00 -0.36 0.00 0.00 55.97 56.33 3kfi s LYS 109 Cb -0.16 0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.23 3kfi s LYS 109 CO 0.06 -0.15 0.44 -3.47 -0.36 0.00 0.00 175.35 171.86 3kfi n ASP 110 N 4.19 -5.31 0.00 1.43 4.64 -1.26 -1.62 116.55 118.62 3kfi n ASP 110 Ca -0.22 -0.23 0.00 0.00 -1.38 0.00 0.00 54.79 52.97 3kfi n ASP 110 Cb 0.56 -4.34 0.00 0.00 -1.04 0.00 0.00 41.12 36.30 3kfi n ASP 110 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kfi n GLY 111 N -1.30 0.30 3.84 0.27 0.00 -1.26 -5.01 105.19 102.03 3kfi n GLY 111 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 3kfi n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfi s LYS 112 N -0.91 3.04 0.12 1.61 -0.14 -0.64 -5.12 119.74 117.69 3kfi s LYS 112 Ca 0.00 -0.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.85 3kfi s LYS 112 Cb 0.00 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 3kfi s LYS 112 CO 0.00 0.50 -0.08 -0.08 -0.76 0.00 0.00 175.35 174.92 3kfi s THR 113 N -1.74 0.92 0.13 2.17 -1.32 -1.26 -1.25 115.64 113.29 3kfi s THR 113 Ca 0.32 -1.97 -0.13 0.00 -1.21 0.00 0.00 61.69 58.71 3kfi s THR 113 Cb -0.10 -1.73 0.01 0.00 -1.51 0.00 0.00 72.50 69.17 3kfi s THR 113 CO 0.25 -0.80 0.33 0.72 -2.21 0.00 0.00 174.62 172.91 3kfi s PHE 114 N -3.41 0.02 -0.01 9.09 -0.12 -0.83 -4.99 117.98 117.74 3kfi s PHE 114 Ca 0.13 -0.39 -0.03 0.00 -0.05 0.00 0.00 56.93 56.60 3kfi s PHE 114 Cb 0.03 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3kfi s PHE 114 CO -0.02 -0.68 0.19 -0.65 -0.05 0.00 0.00 175.22 174.01 3kfi s GLN 115 N -3.86 3.44 -0.06 1.99 -0.21 -1.26 -1.03 119.66 118.68 3kfi s GLN 115 Ca 0.07 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.17 3kfi s GLN 115 Cb 0.03 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.95 3kfi s GLN 115 CO -0.09 0.67 -0.16 -1.17 -2.12 0.00 0.00 175.29 172.43 3kfi s LEU 116 N -1.93 1.82 -0.01 2.90 2.96 0.41 -3.04 118.68 121.78 3kfi s LEU 116 Ca 0.27 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 3kfi s LEU 116 Cb -0.13 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 3kfi s LEU 116 CO 0.19 0.10 -0.23 -0.04 -1.32 0.00 0.00 176.35 175.04 3kfi s MET 117 N 0.37 1.85 -0.02 1.98 -1.94 0.26 -0.35 119.30 121.44 3kfi s MET 117 Ca -0.11 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 3kfi s MET 117 Cb -0.14 -1.82 0.00 0.00 2.01 0.00 0.00 34.83 34.88 3kfi s MET 117 CO 0.04 0.49 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.27 3kfi s GLU 118 N -0.64 0.65 -0.26 2.03 2.02 -0.73 -1.01 118.70 120.75 3kfi s GLU 118 Ca 0.09 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 3kfi s GLU 118 Cb -0.09 -0.64 0.01 0.00 0.10 0.00 0.00 34.13 33.51 3kfi s GLU 118 CO -0.00 0.09 -0.01 -1.17 0.02 0.00 0.00 175.26 174.19 3kfi s LEU 119 N 0.12 3.34 0.11 1.80 2.96 -0.44 -0.91 118.68 125.66 3kfi s LEU 119 Ca -0.01 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3kfi s LEU 119 Cb -0.06 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3kfi s LEU 119 CO -0.00 -0.12 0.08 -0.31 -1.32 0.00 0.00 176.35 174.68 3kfi s TYR 120 N 1.43 3.13 0.21 5.38 2.02 -0.08 -0.69 117.35 128.74 3kfi s TYR 120 Ca 0.03 0.02 0.10 0.00 -0.37 0.00 0.00 57.07 56.85 3kfi s TYR 120 Cb -0.16 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3kfi s TYR 120 CO -0.02 0.51 -0.20 0.20 -1.57 0.00 0.00 175.55 174.48 3kfi s GLY 121 N -2.65 1.62 0.38 0.71 0.00 0.13 -1.54 107.32 105.98 3kfi s GLY 121 Ca 0.29 -1.65 0.27 0.00 0.00 0.00 0.00 44.72 43.63 3kfi s GLY 121 CO 0.22 -1.71 1.79 3.21 0.00 0.00 0.00 173.10 176.61 3kfi h ARG 122 N 2.92 0.00 -5.67 2.90 2.47 -1.38 0.11 114.38 115.73 3kfi h ARG 122 Ca -0.43 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.68 3kfi h ARG 122 Cb 1.22 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.43 3kfi h ARG 122 CO 0.53 0.00 -0.54 0.15 0.56 0.00 0.00 179.97 180.67 3kfi s LYS 123 N -3.36 2.10 0.22 0.04 1.02 -1.26 -4.77 119.74 113.72 3kfi s LYS 123 Ca 0.05 -2.07 0.21 0.00 0.02 0.00 0.00 55.97 54.18 3kfi s LYS 123 Cb 0.09 -1.75 0.91 0.00 -0.52 0.00 0.00 37.83 36.56 3kfi s LYS 123 CO 0.55 -0.15 1.64 0.00 -0.92 0.00 0.00 175.35 176.47 3kfi n ALA 124 N -1.14 1.56 -2.24 5.17 0.00 -1.26 -4.57 120.51 118.03 3kfi n ALA 124 Ca -0.06 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 3kfi n ALA 124 Cb 0.66 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 3kfi n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kfi s ASP 125 N -3.98 0.24 0.12 0.00 3.68 -1.26 -4.90 116.67 110.58 3kfi s ASP 125 Ca 0.04 -1.19 0.05 0.00 2.13 0.00 0.00 52.55 53.57 3kfi s ASP 125 Cb 0.09 0.33 -0.04 0.00 -1.45 0.00 0.00 42.92 41.85 3kfi s ASP 125 CO 0.33 -0.77 -0.12 -0.76 0.13 0.00 0.00 175.17 173.98 3kfi s LEU 126 N -3.06 2.42 0.97 -1.34 1.43 -1.26 -4.89 118.68 112.96 3kfi s LEU 126 Ca 0.26 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 3kfi s LEU 126 Cb 0.07 -0.42 0.17 0.00 0.03 0.00 0.00 46.19 46.04 3kfi s LEU 126 CO 0.03 -0.22 1.10 0.54 0.23 0.00 0.00 176.35 178.03 3kfi s ASN 127 N -2.56 2.86 0.40 2.29 2.20 -1.26 -4.82 114.94 114.06 3kfi s ASN 127 Ca 0.09 1.24 0.14 0.00 -0.94 0.00 0.00 52.86 53.38 3kfi s ASN 127 Cb -0.03 -1.90 0.84 0.00 -2.00 0.00 0.00 41.25 38.16 3kfi s ASN 127 CO 0.01 -2.99 1.89 0.77 -2.94 0.00 0.00 177.10 173.85 3kfi h SER 128 N -1.79 0.00 0.23 3.54 4.64 -2.01 -2.08 113.55 116.06 3kfi h SER 128 Ca -0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3kfi h SER 128 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3kfi h SER 128 CO 0.57 0.30 -0.11 -0.78 -0.87 0.00 0.00 176.83 175.94 3kfi h ASP 129 N 0.00 -0.26 -0.67 4.97 3.58 -1.99 -0.02 116.42 122.04 3kfi h ASP 129 Ca -0.00 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.30 3kfi h ASP 129 Cb 0.53 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 3kfi h ASP 129 CO 0.04 -0.06 0.24 0.40 -2.88 0.00 0.00 179.24 176.99 3kfi h ILE 130 N -0.45 1.25 -0.45 2.25 2.04 -1.90 -1.29 117.51 118.96 3kfi h ILE 130 Ca -0.03 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3kfi h ILE 130 Cb 0.34 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3kfi h ILE 130 CO 0.05 0.31 0.27 0.11 0.00 0.00 0.00 178.15 178.90 3kfi h LYS 131 N 0.96 0.53 -0.41 2.37 1.57 -1.25 -1.43 116.57 118.90 3kfi h LYS 131 Ca 0.22 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3kfi h LYS 131 Cb 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3kfi h LYS 131 CO -0.01 0.35 0.24 0.93 -0.57 0.00 0.00 179.45 180.38 3kfi h GLU 132 N 0.54 0.47 -0.97 3.15 5.08 -0.62 -0.01 114.58 122.22 3kfi h GLU 132 Ca 0.18 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3kfi h GLU 132 Cb 0.01 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3kfi h GLU 132 CO -0.08 0.31 0.64 0.87 -1.00 0.00 0.00 179.01 179.75 3kfi h LYS 133 N 0.48 1.29 -0.41 2.33 1.57 -0.97 -1.19 116.57 119.67 3kfi h LYS 133 Ca 0.16 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3kfi h LYS 133 Cb 0.02 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3kfi h LYS 133 CO -0.08 0.86 0.08 0.35 -0.57 0.00 0.00 179.45 180.08 3kfi h PHE 134 N 1.32 0.71 -0.72 -1.35 3.57 -0.66 -1.68 116.94 118.13 3kfi h PHE 134 Ca 0.36 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.84 3kfi h PHE 134 Cb -0.14 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.34 3kfi h PHE 134 CO 0.00 0.69 0.39 0.28 -2.23 0.00 0.00 178.31 177.45 3kfi h VAL 135 N 0.53 0.92 -0.60 1.41 2.07 -0.31 0.75 116.25 121.02 3kfi h VAL 135 Ca 0.13 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 3kfi h VAL 135 Cb 0.36 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3kfi h VAL 135 CO 0.01 0.13 0.17 0.11 0.02 0.00 0.00 177.57 178.01 3kfi h LYS 136 N 0.69 0.92 -0.40 1.57 1.79 -1.03 -1.16 116.57 118.95 3kfi h LYS 136 Ca 0.34 -0.18 -0.12 0.00 -2.18 0.00 0.00 60.65 58.51 3kfi h LYS 136 Cb 0.28 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3kfi h LYS 136 CO -0.22 0.80 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.66 3kfi h LEU 137 N 0.89 0.82 -0.26 2.94 3.38 -0.38 -1.73 115.31 120.96 3kfi h LEU 137 Ca 0.20 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3kfi h LEU 137 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kfi h LEU 137 CO -0.01 1.01 0.08 0.00 0.09 0.00 0.00 178.44 179.61 3kfi h GLU 139 N 0.19 0.32 0.00 0.00 5.08 -0.81 0.10 114.58 119.46 3kfi h GLU 139 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kfi h GLU 139 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kfi h GLU 139 CO -0.13 0.21 0.00 0.93 -1.00 0.00 0.00 179.01 179.02 3kfi h GLU 140 N 0.33 0.00 -0.55 2.33 5.08 -0.95 -1.23 114.58 119.59 3kfi h GLU 140 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3kfi h GLU 140 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kfi h GLU 140 CO -0.02 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.71 3kfi n HIS 141 N -3.00 1.33 -1.03 4.33 8.25 -0.14 -4.96 115.22 120.02 3kfi n HIS 141 Ca -0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 57.72 56.80 3kfi n HIS 141 Cb 0.24 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 3kfi n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kfi n GLY 142 N 0.77 0.47 3.48 -1.41 0.00 -0.46 -4.99 105.19 103.04 3kfi n GLY 142 Ca 0.24 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3kfi n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfi s ILE 143 N -1.89 4.95 0.70 -0.61 1.01 -0.29 -4.88 121.20 120.20 3kfi s ILE 143 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3kfi s ILE 143 Cb 0.00 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3kfi s ILE 143 CO 0.00 -0.60 1.06 0.27 0.00 0.00 0.00 174.94 175.67 3kfi s ILE 144 N 2.46 3.97 0.50 2.92 -4.36 -1.26 -2.71 121.20 122.71 3kfi s ILE 144 Ca 0.15 0.64 0.15 0.00 -0.26 0.00 0.00 60.65 61.34 3kfi s ILE 144 Cb -0.17 -3.43 0.25 0.00 1.25 0.00 0.00 42.46 40.35 3kfi s ILE 144 CO 0.14 -0.83 2.11 0.07 0.24 0.00 0.00 174.94 176.67 3kfi h LYS 145 N -0.71 0.02 0.00 0.37 2.10 -1.96 0.13 116.57 116.51 3kfi h LYS 145 Ca -0.44 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3kfi h LYS 145 Cb 1.22 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3kfi h LYS 145 CO 0.58 0.05 0.00 0.39 -2.00 0.00 0.00 179.45 178.48 3kfi n GLU 146 N -4.49 0.11 -0.83 0.07 4.71 -1.26 -2.40 120.64 116.54 3kfi n GLU 146 Ca -0.03 0.34 -0.03 0.00 -0.01 0.00 0.00 57.16 57.43 3kfi n GLU 146 Cb 0.12 -1.71 0.25 0.00 -1.01 0.00 0.00 31.44 29.10 3kfi n GLU 146 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kfi n ASN 147 N -1.92 3.82 -4.13 1.62 4.13 0.03 -4.90 115.26 113.92 3kfi n ASN 147 Ca 0.03 -3.37 -0.32 0.00 1.68 0.00 0.00 54.58 52.60 3kfi n ASN 147 Cb 0.21 -0.67 -0.16 0.00 -1.54 0.00 0.00 39.78 37.61 3kfi n ASN 147 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kfi s ILE 148 N -3.06 1.99 -0.16 2.41 1.01 -1.01 -2.33 121.20 120.06 3kfi s ILE 148 Ca 0.49 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3kfi s ILE 148 Cb 0.41 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3kfi s ILE 148 CO 0.08 0.53 -0.04 -0.63 0.00 0.00 0.00 174.94 174.89 3kfi s ILE 149 N 1.06 3.89 -0.61 2.92 1.01 0.60 -4.96 121.20 125.10 3kfi s ILE 149 Ca -0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 3kfi s ILE 149 Cb -0.14 -2.70 0.05 0.00 0.01 0.00 0.00 42.46 39.67 3kfi s ILE 149 CO -0.07 0.49 1.01 -0.62 0.00 0.00 0.00 174.94 175.76 3kfi s ASP 150 N 0.36 6.26 0.10 3.58 3.68 -1.26 -1.24 116.67 128.15 3kfi s ASP 150 Ca -0.04 -0.55 0.18 0.00 2.13 0.00 0.00 52.55 54.27 3kfi s ASP 150 Cb -0.14 -2.45 0.77 0.00 -1.45 0.00 0.00 42.92 39.64 3kfi s ASP 150 CO 0.03 -1.40 1.57 0.18 0.13 0.00 0.00 175.17 175.68 3kfi n LEU 151 N 7.87 0.26 0.25 -1.34 4.77 0.43 -2.21 117.00 127.02 3kfi n LEU 151 Ca 0.00 0.56 0.17 0.00 -0.03 0.00 0.00 56.01 56.72 3kfi n LEU 151 Cb 0.47 -0.53 0.79 0.00 -2.33 0.00 0.00 43.42 41.82 3kfi n LEU 151 CO 0.65 -0.36 1.00 0.71 -1.33 0.00 0.00 177.39 178.07 3kfi h THR 152 N 0.00 0.00 -0.78 -5.08 1.35 -1.84 -1.86 112.91 104.69 3kfi h THR 152 Ca 0.00 -0.25 -0.49 0.00 -0.55 0.00 0.00 66.41 65.12 3kfi h THR 152 Cb 0.30 1.14 -0.27 0.00 -1.73 0.00 0.00 68.15 67.59 3kfi h THR 152 CO 0.00 0.00 0.27 0.29 -0.25 0.00 0.00 175.52 175.83 3kfi n LYS 153 N -2.83 2.52 -4.20 4.72 4.01 -0.94 -4.97 118.16 116.48 3kfi n LYS 153 Ca -0.00 -3.36 -0.14 0.00 -0.51 0.00 0.00 58.31 54.30 3kfi n LYS 153 Cb 0.19 -2.14 -0.09 0.00 -0.51 0.00 0.00 35.03 32.49 3kfi n LYS 153 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3kfi s THR 154 N -4.02 0.00 -0.56 -0.18 -4.23 -0.70 -5.06 115.64 100.89 3kfi s THR 154 Ca 0.55 -1.94 -0.28 0.00 -1.18 0.00 0.00 61.69 58.84 3kfi s THR 154 Cb 0.46 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.84 3kfi s THR 154 CO 0.03 0.00 1.24 0.21 -0.54 0.00 0.00 174.62 175.56 3kfi s ASN 155 N -3.21 6.40 -0.05 3.99 3.84 -1.26 -4.85 114.94 119.80 3kfi s ASN 155 Ca 0.38 0.22 0.21 0.00 0.21 0.00 0.00 52.86 53.88 3kfi s ASN 155 Cb 0.05 -2.55 0.68 0.00 -0.55 0.00 0.00 41.25 38.88 3kfi s ASN 155 CO 0.16 -1.50 1.58 0.54 -2.79 0.00 0.00 177.10 175.09 3kfi n ARG 156 N 8.40 3.19 -3.09 0.43 1.74 -1.26 -4.90 116.66 121.17 3kfi n ARG 156 Ca 0.10 -2.77 -0.22 0.00 -0.77 0.00 0.00 57.85 54.19 3kfi n ARG 156 Cb 0.49 -1.71 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 3kfi n ARG 156 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kfi h LEU 158 N -1.16 0.64 -1.87 0.00 3.38 -1.96 -0.83 115.31 113.51 3kfi h LEU 158 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3kfi h LEU 158 Cb 1.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3kfi h LEU 158 CO 0.55 0.44 0.00 0.07 0.09 0.00 0.00 178.44 179.59 3kfi h LYS 159 N 0.74 0.00 -0.01 1.13 2.10 -2.03 -2.33 116.57 116.17 3kfi h LYS 159 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3kfi h LYS 159 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3kfi h LYS 159 CO -0.07 0.00 -0.38 0.00 -2.00 0.00 0.00 179.45 177.00 3kfi n ALA 160 N -1.96 3.33 1.22 0.07 0.00 -0.32 -5.23 120.51 117.62 3kfi n ALA 160 Ca -0.01 -0.43 0.10 0.00 0.00 0.00 0.00 53.44 53.10 3kfi n ALA 160 Cb 0.14 -1.08 0.58 0.00 0.00 0.00 0.00 19.45 19.09 3kfi n ALA 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04