#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kff s ASN 11 N 0.00 6.80 0.48 1.96 3.84 -1.26 -4.94 114.94 121.82 3kff s ASN 11 Ca 0.00 -2.78 0.18 0.00 0.21 0.00 0.00 52.86 50.47 3kff s ASN 11 Cb 0.00 -2.20 1.16 0.00 -0.55 0.00 0.00 41.25 39.66 3kff s ASN 11 CO 0.00 -0.54 2.04 1.62 -2.79 0.00 0.00 177.10 177.43 3kff h VAL 12 N 4.68 0.98 -0.44 -5.21 3.04 -2.03 -0.98 116.25 116.30 3kff h VAL 12 Ca 0.11 -0.49 0.13 0.00 -1.01 0.00 0.00 66.70 65.44 3kff h VAL 12 Cb 1.02 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 3kff h VAL 12 CO 0.77 0.14 0.32 -0.33 -1.01 0.00 0.00 177.57 177.46 3kff h GLU 13 N 0.00 0.00 0.00 4.17 4.39 -1.97 -1.05 114.58 120.12 3kff h GLU 13 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kff h GLU 13 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3kff h GLU 13 CO 0.02 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.50 3kff n LYS 14 N -4.33 0.50 0.00 2.33 5.02 -0.37 -2.22 118.16 119.09 3kff n LYS 14 Ca 0.07 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.54 3kff n LYS 14 Cb 0.52 -1.50 0.52 0.00 -0.02 0.00 0.00 35.03 34.55 3kff n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kff n ILE 15 N -1.19 0.00 -1.73 -0.18 -5.35 -0.40 -4.79 119.36 105.72 3kff n ILE 15 Ca 0.14 -0.19 -0.38 0.00 -0.27 0.00 0.00 62.75 62.06 3kff n ILE 15 Cb 0.16 0.36 0.06 0.00 -1.74 0.00 0.00 39.64 38.48 3kff n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kff n ASN 16 N -0.21 2.33 0.00 7.28 5.15 -0.94 -4.74 115.26 124.13 3kff n ASN 16 Ca 0.17 0.90 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 3kff n ASN 16 Cb 0.33 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 3kff n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kff n GLY 17 N 0.86 0.05 3.79 8.20 0.00 0.15 -4.96 105.19 113.28 3kff n GLY 17 Ca 0.13 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 3kff n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kff s GLU 18 N 0.00 4.41 0.13 1.61 2.02 -1.26 -1.03 118.70 124.58 3kff s GLU 18 Ca 0.00 0.98 -0.01 0.00 0.02 0.00 0.00 54.97 55.96 3kff s GLU 18 Cb 0.00 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 3kff s GLU 18 CO 0.00 0.60 0.06 -1.58 0.02 0.00 0.00 175.26 174.36 3kff s TRP 19 N -1.12 0.85 -0.01 1.61 0.52 -0.76 -4.72 118.94 115.32 3kff s TRP 19 Ca 0.33 -1.23 0.04 0.00 0.02 0.00 0.00 56.10 55.26 3kff s TRP 19 Cb -0.22 -0.47 -0.01 0.00 -1.15 0.00 0.00 33.47 31.62 3kff s TRP 19 CO 0.23 -0.52 -0.14 -0.06 0.02 0.00 0.00 176.95 176.48 3kff s PHE 20 N -4.05 1.25 -0.04 -1.98 0.40 0.46 -3.93 117.98 110.09 3kff s PHE 20 Ca 0.24 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 56.03 3kff s PHE 20 Cb 0.07 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 3kff s PHE 20 CO 0.02 -0.02 1.00 -1.12 0.70 0.00 0.00 175.22 175.80 3kff s SER 21 N -0.38 7.31 0.00 1.36 0.01 -1.26 -0.71 113.70 120.03 3kff s SER 21 Ca 0.05 1.63 -0.05 0.00 1.31 0.00 0.00 55.95 58.89 3kff s SER 21 Cb -0.06 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 3kff s SER 21 CO -0.00 -0.35 -0.10 -0.38 0.41 0.00 0.00 173.24 172.82 3kff n ILE 22 N 4.17 1.05 -4.91 1.44 2.08 -0.08 -4.70 119.36 118.40 3kff n ILE 22 Ca 0.07 0.29 -0.30 0.00 0.56 0.00 0.00 62.75 63.37 3kff n ILE 22 Cb 0.50 -1.71 -0.15 0.00 -0.75 0.00 0.00 39.64 37.53 3kff n ILE 22 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3kff s LEU 23 N -6.82 2.23 -0.04 1.39 1.43 -1.00 -0.85 118.68 115.02 3kff s LEU 23 Ca -0.08 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3kff s LEU 23 Cb 0.01 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.92 3kff s LEU 23 CO 0.12 0.27 -0.05 -0.22 0.23 0.00 0.00 176.35 176.69 3kff s LEU 24 N -1.19 1.50 -0.01 1.79 2.96 -0.52 -1.36 118.68 121.85 3kff s LEU 24 Ca 0.12 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3kff s LEU 24 Cb -0.10 -0.44 -0.00 0.00 0.50 0.00 0.00 46.19 46.14 3kff s LEU 24 CO 0.02 -0.02 0.08 0.00 -1.32 0.00 0.00 176.35 175.11 3kff s ALA 25 N 0.66 -0.17 -0.00 5.97 0.00 -0.09 -0.20 121.76 127.93 3kff s ALA 25 Ca -0.09 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 3kff s ALA 25 Cb -0.12 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.08 3kff s ALA 25 CO 0.00 -0.14 0.51 0.45 0.00 0.00 0.00 175.76 176.59 3kff s SER 26 N -0.90 -0.43 0.00 0.00 0.15 -0.98 -0.66 113.70 110.88 3kff s SER 26 Ca -0.10 0.32 0.16 0.00 0.70 0.00 0.00 55.95 57.03 3kff s SER 26 Cb -0.06 0.46 0.71 0.00 -1.71 0.00 0.00 66.02 65.42 3kff s SER 26 CO 0.00 -0.61 1.50 -0.90 1.20 0.00 0.00 173.24 174.43 3kff n ASP 27 N 0.80 0.99 -3.67 5.45 5.68 -1.12 -4.29 116.55 120.39 3kff n ASP 27 Ca -0.19 -1.69 -0.29 0.00 -0.50 0.00 0.00 54.79 52.11 3kff n ASP 27 Cb 0.58 -0.08 -0.12 0.00 -1.14 0.00 0.00 41.12 40.36 3kff n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3kff s LYS 28 N -1.84 1.32 0.39 0.11 2.20 -1.26 -4.96 119.74 115.70 3kff s LYS 28 Ca 0.26 -2.13 0.06 0.00 -0.36 0.00 0.00 55.97 53.81 3kff s LYS 28 Cb 0.13 -2.26 0.80 0.00 -1.51 0.00 0.00 37.83 35.00 3kff s LYS 28 CO 0.20 -1.21 2.02 -0.09 -0.36 0.00 0.00 175.35 175.91 3kff h ARG 29 N 6.44 0.54 -0.06 4.03 2.43 -1.95 -1.35 114.38 124.46 3kff h ARG 29 Ca 0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3kff h ARG 29 Cb 0.91 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3kff h ARG 29 CO 0.48 0.40 0.06 1.05 -1.51 0.00 0.00 179.97 180.45 3kff h GLU 30 N 0.55 0.00 0.00 0.20 4.11 -1.95 -1.45 114.58 116.04 3kff h GLU 30 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 3kff h GLU 30 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kff h GLU 30 CO -0.02 0.00 -0.04 0.87 0.07 0.00 0.00 179.01 179.89 3kff h LYS 31 N 0.00 0.00 -0.02 1.06 1.79 -1.63 -3.08 116.57 114.69 3kff h LYS 31 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3kff h LYS 31 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3kff h LYS 31 CO -0.00 0.04 0.00 0.44 -1.08 0.00 0.00 179.45 178.85 3kff n ILE 32 N -3.18 0.05 -1.19 1.86 -5.35 -0.57 -0.89 119.36 110.08 3kff n ILE 32 Ca -0.00 -0.52 -0.30 0.00 -0.27 0.00 0.00 62.75 61.66 3kff n ILE 32 Cb 0.28 1.10 0.22 0.00 -1.74 0.00 0.00 39.64 39.50 3kff n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3kff s GLU 33 N -0.57 -0.63 0.49 6.28 2.02 -1.03 -4.66 118.70 120.59 3kff s GLU 33 Ca 0.08 0.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.86 3kff s GLU 33 Cb 0.06 -1.66 -0.07 0.00 0.10 0.00 0.00 34.13 32.56 3kff s GLU 33 CO 0.08 -3.34 1.37 0.39 0.02 0.00 0.00 175.26 173.78 3kff n GLU 34 N -4.52 1.95 -0.80 1.61 1.02 -1.26 -0.66 120.64 117.99 3kff n GLU 34 Ca 0.11 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 3kff n GLU 34 Cb 0.59 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 3kff n GLU 34 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kff n HIS 35 N -0.56 0.00 -2.74 -0.32 8.25 -1.26 -4.99 115.22 113.60 3kff n HIS 35 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 3kff n HIS 35 Cb 0.42 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 30.63 3kff n HIS 35 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kff s GLY 36 N -2.00 2.53 0.52 -1.41 0.00 0.17 -4.95 107.32 102.18 3kff s GLY 36 Ca 0.00 0.49 0.26 0.00 0.00 0.00 0.00 44.72 45.47 3kff s GLY 36 CO 0.00 0.82 2.09 1.48 0.00 0.00 0.00 173.10 177.50 3kff h SER 37 N 2.17 0.00 -0.51 1.64 4.64 -1.82 -2.38 113.55 117.29 3kff h SER 37 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kff h SER 37 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kff h SER 37 CO 0.62 0.11 0.00 0.23 -0.87 0.00 0.00 176.83 176.91 3kff n MET 38 N -3.76 2.37 -2.80 4.77 2.81 -0.07 -4.66 117.12 115.78 3kff n MET 38 Ca -0.02 -2.11 -0.44 0.00 -1.81 0.00 0.00 57.70 53.32 3kff n MET 38 Cb 0.21 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 3kff n MET 38 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3kff n ARG 39 N 1.24 3.31 -4.25 0.03 0.63 -0.90 -4.83 116.66 111.90 3kff n ARG 39 Ca 0.20 -3.64 -0.17 0.00 -0.92 0.00 0.00 57.85 53.32 3kff n ARG 39 Cb 0.52 -3.20 -0.11 0.00 0.45 0.00 0.00 32.46 30.12 3kff n ARG 39 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3kff s VAL 40 N 2.48 1.33 -0.20 5.15 -7.23 -1.26 -4.49 120.40 116.18 3kff s VAL 40 Ca 0.47 -1.79 -0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3kff s VAL 40 Cb -0.00 -1.60 0.05 0.00 0.56 0.00 0.00 36.38 35.39 3kff s VAL 40 CO 0.03 -0.47 -0.03 -0.36 -0.31 0.00 0.00 175.10 173.95 3kff s PHE 41 N -2.35 1.87 0.49 2.82 0.40 0.16 -4.96 117.98 116.40 3kff s PHE 41 Ca 0.11 -1.34 -0.22 0.00 -0.60 0.00 0.00 56.93 54.88 3kff s PHE 41 Cb -0.04 -1.37 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 3kff s PHE 41 CO 0.03 -0.69 1.18 0.54 0.70 0.00 0.00 175.22 176.98 3kff s VAL 42 N 1.57 2.98 -0.06 -0.44 0.11 -1.26 -0.68 120.40 122.63 3kff s VAL 42 Ca -0.03 0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 59.73 3kff s VAL 42 Cb -0.17 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 3kff s VAL 42 CO -0.07 -0.04 -0.06 1.21 -3.33 0.00 0.00 175.10 172.81 3kff n GLU 43 N -0.73 0.13 -3.78 1.54 0.00 0.67 -4.10 120.64 114.37 3kff n GLU 43 Ca 0.09 0.04 -0.09 0.00 0.00 0.00 0.00 57.16 57.19 3kff n GLU 43 Cb 0.48 -0.96 -0.06 0.00 0.00 0.00 0.00 31.44 30.90 3kff n GLU 43 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 3kff s HIS 44 N -2.11 0.03 -0.13 4.31 -3.43 -1.15 -1.83 115.29 110.98 3kff s HIS 44 Ca -0.08 -0.41 -0.00 0.00 -0.80 0.00 0.00 55.06 53.77 3kff s HIS 44 Cb 0.02 0.08 0.03 0.00 -1.43 0.00 0.00 32.58 31.28 3kff s HIS 44 CO 0.12 -0.63 -0.09 0.42 -2.00 0.00 0.00 174.74 172.55 3kff s ILE 45 N -3.85 1.22 -0.19 -5.38 1.01 -0.20 -2.10 121.20 111.71 3kff s ILE 45 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 3kff s ILE 45 Cb 0.03 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 3kff s ILE 45 CO -0.10 0.36 -0.01 -1.00 0.00 0.00 0.00 174.94 174.19 3kff s HIS 46 N 1.63 3.02 -0.25 3.97 3.76 0.10 -0.67 115.29 126.86 3kff s HIS 46 Ca 0.04 -0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 3kff s HIS 46 Cb -0.13 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 3kff s HIS 46 CO -0.09 -0.21 0.70 0.08 -0.85 0.00 0.00 174.74 174.37 3kff s VAL 47 N 0.87 4.94 0.46 -0.90 1.01 -1.26 -0.78 120.40 124.72 3kff s VAL 47 Ca 0.00 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.32 3kff s VAL 47 Cb -0.14 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3kff s VAL 47 CO 0.02 -0.00 0.19 -0.76 0.00 0.00 0.00 175.10 174.55 3kff s LEU 48 N 2.58 2.89 0.20 3.92 1.43 -0.46 -5.01 118.68 124.24 3kff s LEU 48 Ca 0.29 -1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.07 3kff s LEU 48 Cb -0.15 -1.25 0.23 0.00 0.03 0.00 0.00 46.19 45.05 3kff s LEU 48 CO 0.08 -0.71 1.79 -0.08 0.23 0.00 0.00 176.35 177.67 3kff h GLU 49 N 1.29 0.59 0.00 1.70 4.81 -2.02 -3.18 114.58 117.77 3kff h GLU 49 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kff h GLU 49 Cb 1.27 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3kff h GLU 49 CO 0.69 0.39 -0.03 -1.71 -0.73 0.00 0.00 179.01 177.62 3kff n ASN 50 N -4.83 1.91 -3.66 1.04 5.15 -1.26 -5.05 115.26 108.56 3kff n ASN 50 Ca 0.08 -2.39 -0.07 0.00 -0.60 0.00 0.00 54.58 51.60 3kff n ASN 50 Cb 0.18 -0.19 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 3kff n ASN 50 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kff s SER 51 N -1.71 -0.20 -0.10 1.20 1.04 -1.20 -1.42 113.70 111.30 3kff s SER 51 Ca 0.13 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3kff s SER 51 Cb 0.12 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.97 3kff s SER 51 CO 0.01 -1.36 -0.16 -0.76 0.98 0.00 0.00 173.24 171.95 3kff s LEU 52 N -2.96 1.78 -0.22 2.42 1.43 -0.14 -1.35 118.68 119.64 3kff s LEU 52 Ca 0.12 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3kff s LEU 52 Cb -0.05 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3kff s LEU 52 CO 0.07 0.04 0.08 0.00 0.23 0.00 0.00 176.35 176.77 3kff s ALA 53 N 0.85 3.30 0.00 4.21 0.00 0.04 -0.68 121.76 129.47 3kff s ALA 53 Ca -0.09 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 50.96 3kff s ALA 53 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3kff s ALA 53 CO 0.00 -0.20 -0.15 -0.06 0.00 0.00 0.00 175.76 175.36 3kff s PHE 54 N 1.08 2.67 -0.12 0.00 0.40 0.71 0.03 117.98 122.75 3kff s PHE 54 Ca 0.05 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3kff s PHE 54 Cb -0.14 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 3kff s PHE 54 CO 0.03 0.25 -0.16 0.21 0.70 0.00 0.00 175.22 176.25 3kff s LYS 55 N -1.18 3.26 0.24 0.44 2.20 -0.89 -1.58 119.74 122.22 3kff s LYS 55 Ca 0.14 -0.74 0.09 0.00 -0.36 0.00 0.00 55.97 55.09 3kff s LYS 55 Cb -0.11 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 3kff s LYS 55 CO 0.04 0.22 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.04 3kff s PHE 56 N 0.31 1.90 0.30 4.03 0.40 0.32 -0.24 117.98 125.01 3kff s PHE 56 Ca -0.13 -0.53 0.08 0.00 -0.60 0.00 0.00 56.93 55.76 3kff s PHE 56 Cb -0.16 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 3kff s PHE 56 CO 0.07 0.44 0.12 -1.01 0.70 0.00 0.00 175.22 175.54 3kff s HIS 57 N -2.86 2.79 0.13 0.36 3.76 0.14 -0.93 115.29 118.69 3kff s HIS 57 Ca 0.26 -0.28 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 3kff s HIS 57 Cb -0.01 -1.48 0.03 0.00 1.11 0.00 0.00 32.58 32.22 3kff s HIS 57 CO 0.10 0.44 0.39 -0.08 -0.85 0.00 0.00 174.74 174.73 3kff s THR 58 N -2.33 0.07 -0.23 1.30 -1.32 0.02 -0.67 115.64 112.48 3kff s THR 58 Ca 0.35 -0.72 -0.09 0.00 -1.21 0.00 0.00 61.69 60.03 3kff s THR 58 Cb -0.05 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 3kff s THR 58 CO 0.23 -0.32 0.12 -0.69 -2.21 0.00 0.00 174.62 171.74 3kff s VAL 59 N -3.83 4.95 -0.23 5.08 1.01 -1.26 -0.82 120.40 125.30 3kff s VAL 59 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3kff s VAL 59 Cb 0.02 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.15 3kff s VAL 59 CO -0.10 0.36 -0.12 -0.63 0.00 0.00 0.00 175.10 174.61 3kff s ILE 60 N 1.11 2.01 -1.48 2.22 1.01 0.32 -4.72 121.20 121.68 3kff s ILE 60 Ca 0.06 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 3kff s ILE 60 Cb -0.14 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.33 3kff s ILE 60 CO 0.04 0.12 0.94 0.47 0.00 0.00 0.00 174.94 176.51 3kff n ASP 61 N 4.53 -5.23 0.00 3.58 8.00 -1.26 -1.24 116.55 124.93 3kff n ASP 61 Ca -0.15 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3kff n ASP 61 Cb 0.45 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 3kff n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kff n GLY 62 N -1.69 1.07 3.49 0.44 0.00 -1.26 -5.03 105.19 102.21 3kff n GLY 62 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3kff n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kff s GLU 63 N -0.19 3.06 0.41 1.61 2.02 -0.37 -5.07 118.70 120.17 3kff s GLU 63 Ca 0.00 -0.61 -0.25 0.00 0.02 0.00 0.00 54.97 54.13 3kff s GLU 63 Cb 0.00 -2.62 -0.08 0.00 0.10 0.00 0.00 34.13 31.53 3kff s GLU 63 CO 0.00 0.45 1.18 0.00 0.02 0.00 0.00 175.26 176.91 3kff s SER 65 N -1.14 -0.08 0.07 0.00 0.15 0.00 -4.90 113.70 107.81 3kff s SER 65 Ca 0.58 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.07 3kff s SER 65 Cb -0.31 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 3kff s SER 65 CO 0.39 -0.53 0.20 -1.61 1.20 0.00 0.00 173.24 172.89 3kff s GLU 66 N -2.11 3.38 -0.06 5.44 2.02 -1.26 -0.80 118.70 125.32 3kff s GLU 66 Ca -0.08 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.44 3kff s GLU 66 Cb -0.03 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.22 3kff s GLU 66 CO -0.01 0.60 -0.05 0.42 0.02 0.00 0.00 175.26 176.24 3kff s ILE 67 N -1.52 0.64 -0.13 -1.63 1.01 -0.11 -4.92 121.20 114.54 3kff s ILE 67 Ca 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.84 3kff s ILE 67 Cb -0.13 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 3kff s ILE 67 CO 0.27 0.26 -0.13 -0.36 0.00 0.00 0.00 174.94 174.98 3kff s PHE 68 N 1.09 2.80 0.05 3.97 0.40 -1.26 -0.52 117.98 124.51 3kff s PHE 68 Ca -0.08 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.58 3kff s PHE 68 Cb -0.14 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 3kff s PHE 68 CO -0.01 -0.26 -0.11 -0.51 0.70 0.00 0.00 175.22 175.04 3kff s LEU 69 N 0.44 2.22 -0.12 -0.37 1.43 -0.61 -5.01 118.68 116.65 3kff s LEU 69 Ca -0.10 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3kff s LEU 69 Cb -0.16 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.69 3kff s LEU 69 CO 0.05 -0.08 -0.19 -0.69 0.23 0.00 0.00 176.35 175.67 3kff s VAL 70 N -1.10 1.75 -0.17 -1.59 1.01 -1.26 -0.21 120.40 118.84 3kff s VAL 70 Ca -0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3kff s VAL 70 Cb -0.09 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3kff s VAL 70 CO 0.01 0.49 -0.00 0.00 0.00 0.00 0.00 175.10 175.60 3kff s ALA 71 N 0.83 3.13 0.03 5.51 0.00 0.14 -4.74 121.76 126.66 3kff s ALA 71 Ca -0.09 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 3kff s ALA 71 Cb -0.16 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 3kff s ALA 71 CO -0.00 0.18 0.23 -0.51 0.00 0.00 0.00 175.76 175.66 3kff s ASP 72 N 0.40 6.40 0.37 0.00 1.01 -0.26 -0.96 116.67 123.63 3kff s ASP 72 Ca -0.02 0.39 -0.28 0.00 0.71 0.00 0.00 52.55 53.35 3kff s ASP 72 Cb -0.14 -2.01 -0.11 0.00 1.01 0.00 0.00 42.92 41.67 3kff s ASP 72 CO 0.02 0.21 1.49 0.29 0.21 0.00 0.00 175.17 177.39 3kff n LYS 73 N 0.68 2.67 -0.72 8.23 5.02 -0.51 -0.76 118.16 132.78 3kff n LYS 73 Ca -0.08 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3kff n LYS 73 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 3kff n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kff n THR 74 N 0.48 0.00 1.25 -0.18 -2.24 -0.30 -4.81 114.28 108.48 3kff n THR 74 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 3kff n THR 74 Cb 0.39 -1.26 0.69 0.00 -2.10 0.00 0.00 70.33 68.04 3kff n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kff n GLU 75 N -0.98 0.27 -3.57 -0.78 -0.58 -1.26 -4.68 120.64 109.06 3kff n GLU 75 Ca 0.00 -0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.35 3kff n GLU 75 Cb 0.00 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.27 3kff n GLU 75 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kff s LYS 76 N -2.74 4.03 0.15 3.49 1.02 -1.26 -5.05 119.74 119.38 3kff s LYS 76 Ca 0.23 -0.19 -0.34 0.00 0.02 0.00 0.00 55.97 55.69 3kff s LYS 76 Cb 0.20 -3.60 -0.16 0.00 -0.52 0.00 0.00 37.83 33.75 3kff s LYS 76 CO 0.49 -0.08 1.27 0.00 -0.92 0.00 0.00 175.35 176.11 3kff n ALA 77 N 4.73 -0.51 -0.37 5.17 0.00 -1.26 -1.64 120.51 126.63 3kff n ALA 77 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kff n ALA 77 Cb 0.52 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3kff n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kff n GLY 78 N 2.28 1.65 3.80 0.00 0.00 -1.26 -5.01 105.19 106.64 3kff n GLY 78 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3kff n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kff s GLU 79 N -0.22 3.12 0.14 1.61 2.12 -0.65 -4.38 118.70 120.44 3kff s GLU 79 Ca 0.00 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 54.94 3kff s GLU 79 Cb 0.00 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 3kff s GLU 79 CO 0.00 0.66 -0.15 0.71 -0.54 0.00 0.00 175.26 175.94 3kff s TYR 80 N -1.20 1.49 0.06 5.30 1.51 -0.38 -1.15 117.35 122.98 3kff s TYR 80 Ca 0.23 -0.55 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 3kff s TYR 80 Cb -0.12 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3kff s TYR 80 CO 0.14 0.19 -0.12 -1.54 -1.11 0.00 0.00 175.55 173.11 3kff s SER 81 N -2.61 1.41 -0.18 2.29 1.04 0.06 -0.73 113.70 114.99 3kff s SER 81 Ca 0.12 -0.58 -0.21 0.00 0.48 0.00 0.00 55.95 55.76 3kff s SER 81 Cb -0.04 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.11 3kff s SER 81 CO 0.04 -0.11 0.56 0.54 0.98 0.00 0.00 173.24 175.24 3kff s VAL 82 N -1.28 0.00 -0.20 5.02 0.11 -0.15 -1.10 120.40 122.80 3kff s VAL 82 Ca -0.04 -0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 58.76 3kff s VAL 82 Cb -0.10 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3kff s VAL 82 CO 0.02 -0.02 0.63 -0.04 -3.33 0.00 0.00 175.10 172.36 3kff s MET 83 N -0.02 4.21 -0.30 1.54 -1.94 -1.26 -1.02 119.30 120.50 3kff s MET 83 Ca -0.02 0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 54.46 3kff s MET 83 Cb -0.04 -3.58 0.17 0.00 2.01 0.00 0.00 34.83 33.40 3kff s MET 83 CO 0.02 -0.25 0.91 -0.47 -0.01 0.00 0.00 175.02 175.23 3kff s TYR 84 N 1.94 -0.85 -1.43 -0.03 5.04 -1.26 -4.93 117.35 115.83 3kff s TYR 84 Ca 0.29 1.14 -0.01 0.00 -2.44 0.00 0.00 57.07 56.05 3kff s TYR 84 Cb -0.16 0.39 0.01 0.00 0.35 0.00 0.00 41.96 42.55 3kff s TYR 84 CO 0.10 -0.45 0.41 -3.47 -1.34 0.00 0.00 175.55 170.81 3kff n ASP 85 N 5.28 -0.38 0.00 4.32 2.03 -1.26 -4.51 116.55 122.03 3kff n ASP 85 Ca -0.07 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.22 3kff n ASP 85 Cb 0.52 -2.97 0.00 0.00 -0.72 0.00 0.00 41.12 37.95 3kff n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kff n GLY 86 N -1.99 -1.08 3.46 0.27 0.00 -1.26 -4.80 105.19 99.78 3kff n GLY 86 Ca -0.30 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.26 3kff n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kff s PHE 87 N 0.00 3.07 -0.01 1.61 5.36 -0.17 -4.37 117.98 123.47 3kff s PHE 87 Ca 0.00 -0.42 0.06 0.00 -0.96 0.00 0.00 56.93 55.61 3kff s PHE 87 Cb 0.00 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 3kff s PHE 87 CO 0.00 -0.26 -0.20 -0.80 -1.46 0.00 0.00 175.22 172.50 3kff s ASN 88 N 1.19 3.58 0.04 6.13 0.01 -0.19 -0.55 114.94 125.14 3kff s ASN 88 Ca 0.04 -0.37 0.07 0.00 -0.71 0.00 0.00 52.86 51.89 3kff s ASN 88 Cb -0.14 -0.58 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 3kff s ASN 88 CO 0.02 0.31 -0.21 0.42 -1.51 0.00 0.00 177.10 176.13 3kff s THR 89 N -0.74 1.71 0.11 1.60 -4.23 -0.26 -0.98 115.64 112.85 3kff s THR 89 Ca 0.12 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 3kff s THR 89 Cb -0.10 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3kff s THR 89 CO 0.01 0.25 0.24 0.72 -0.54 0.00 0.00 174.62 175.30 3kff s PHE 90 N -0.77 0.18 0.16 3.99 -0.71 0.09 -0.44 117.98 120.48 3kff s PHE 90 Ca 0.08 -0.58 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3kff s PHE 90 Cb -0.09 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 3kff s PHE 90 CO 0.02 -0.61 -0.01 0.95 -1.34 0.00 0.00 175.22 174.23 3kff s THR 91 N -3.88 0.63 -0.29 -4.49 -4.23 -0.15 -1.25 115.64 101.98 3kff s THR 91 Ca 0.08 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.46 3kff s THR 91 Cb 0.04 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 3kff s THR 91 CO -0.08 -0.55 0.46 -0.63 -0.54 0.00 0.00 174.62 173.29 3kff s ILE 92 N -3.68 5.09 -0.09 2.99 1.01 -1.26 -1.46 121.20 123.80 3kff s ILE 92 Ca 0.22 0.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.26 3kff s ILE 92 Cb 0.06 -3.82 -0.28 0.00 0.01 0.00 0.00 42.46 38.43 3kff s ILE 92 CO 0.02 0.03 0.75 -0.07 0.00 0.00 0.00 174.94 175.67 3kff h LEU 93 N 8.80 0.31 -7.25 2.97 3.38 -1.14 -3.48 115.31 118.90 3kff h LEU 93 Ca -0.30 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.67 3kff h LEU 93 Cb 1.14 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 3kff h LEU 93 CO 0.70 1.36 -0.07 -0.54 0.09 0.00 0.00 178.44 179.98 3kff s LYS 94 N -2.39 0.77 -0.04 1.13 1.02 -1.22 -5.02 119.74 114.00 3kff s LYS 94 Ca -0.17 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 3kff s LYS 94 Cb 0.01 0.36 0.09 0.00 -0.52 0.00 0.00 37.83 37.77 3kff s LYS 94 CO 0.77 -0.20 0.77 -0.08 -0.92 0.00 0.00 175.35 175.69 3kff s THR 95 N -0.78 0.00 -0.96 2.17 -1.32 -1.26 -0.79 115.64 112.69 3kff s THR 95 Ca -0.09 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.50 3kff s THR 95 Cb -0.03 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.26 3kff s THR 95 CO 0.05 0.00 1.23 -0.90 -2.21 0.00 0.00 174.62 172.79 3kff n ASP 96 N 0.58 2.88 0.00 8.08 5.75 -1.06 -5.02 116.55 127.77 3kff n ASP 96 Ca -0.16 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 3kff n ASP 96 Cb 0.59 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3kff n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3kff n TYR 97 N 0.53 0.00 1.04 2.11 4.01 -1.25 -4.46 117.16 119.14 3kff n TYR 97 Ca 0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 3kff n TYR 97 Cb 0.42 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.52 3kff n TYR 97 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kff n ASP 98 N 1.22 2.16 0.02 7.72 4.64 -1.26 -4.73 116.55 126.31 3kff n ASP 98 Ca 0.00 -1.58 0.00 0.00 -1.38 0.00 0.00 54.79 51.83 3kff n ASP 98 Cb 0.00 0.33 0.00 0.00 -1.04 0.00 0.00 41.12 40.41 3kff n ASP 98 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3kff n ASN 99 N 0.24 -0.00 -4.16 1.67 4.05 -1.26 -4.70 115.26 111.11 3kff n ASN 99 Ca 0.11 0.06 -0.12 0.00 0.45 0.00 0.00 54.58 55.08 3kff n ASN 99 Cb 0.49 0.04 -0.10 0.00 1.23 0.00 0.00 39.78 41.43 3kff n ASN 99 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 3kff s TYR 100 N -2.00 0.91 -0.05 1.20 -0.85 -1.26 -1.08 117.35 114.22 3kff s TYR 100 Ca 0.00 -0.78 -0.09 0.00 -0.52 0.00 0.00 57.07 55.68 3kff s TYR 100 Cb 0.00 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.84 3kff s TYR 100 CO 0.00 -0.09 0.21 -1.50 -1.52 0.00 0.00 175.55 172.65 3kff s ILE 101 N -2.99 0.03 -0.13 -3.49 2.07 -0.59 -2.55 121.20 113.55 3kff s ILE 101 Ca 0.07 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 3kff s ILE 101 Cb 0.01 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.22 3kff s ILE 101 CO -0.03 -0.14 -0.17 -0.04 -1.91 0.00 0.00 174.94 172.66 3kff s MET 102 N -0.48 2.45 0.07 3.50 -1.94 0.03 -1.05 119.30 121.88 3kff s MET 102 Ca -0.06 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 3kff s MET 102 Cb -0.04 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 3kff s MET 102 CO 0.01 -0.10 0.02 -0.06 -0.01 0.00 0.00 175.02 174.88 3kff s PHE 103 N 1.07 3.05 -0.10 -0.03 0.40 -0.13 -0.51 117.98 121.74 3kff s PHE 103 Ca -0.04 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 3kff s PHE 103 Cb -0.14 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.82 3kff s PHE 103 CO -0.04 0.49 -0.14 -1.58 0.70 0.00 0.00 175.22 174.65 3kff s HIS 104 N -1.30 1.80 0.02 0.36 2.46 -0.53 -1.84 115.29 116.26 3kff s HIS 104 Ca 0.26 -0.80 0.05 0.00 0.47 0.00 0.00 55.06 55.04 3kff s HIS 104 Cb -0.12 -1.31 -0.02 0.00 -0.13 0.00 0.00 32.58 31.00 3kff s HIS 104 CO 0.18 -0.42 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.71 3kff s LEU 105 N 0.92 2.12 -0.15 8.88 0.20 0.44 -0.98 118.68 130.11 3kff s LEU 105 Ca -0.09 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.35 3kff s LEU 105 Cb -0.15 -0.71 0.01 0.00 -0.43 0.00 0.00 46.19 44.91 3kff s LEU 105 CO -0.00 0.10 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.35 3kff s ILE 106 N -0.66 2.34 -0.13 6.68 -1.09 0.42 -0.47 121.20 128.29 3kff s ILE 106 Ca 0.04 -0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 57.52 3kff s ILE 106 Cb -0.07 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 3kff s ILE 106 CO 0.01 0.53 0.11 0.21 -1.23 0.00 0.00 174.94 174.57 3kff s ASN 107 N 0.91 6.13 -0.07 3.58 3.84 -0.23 -1.10 114.94 128.00 3kff s ASN 107 Ca -0.04 0.36 0.04 0.00 0.21 0.00 0.00 52.86 53.43 3kff s ASN 107 Cb -0.15 -1.97 -0.00 0.00 -0.55 0.00 0.00 41.25 38.58 3kff s ASN 107 CO -0.03 0.35 -0.21 -0.70 -2.79 0.00 0.00 177.10 173.72 3kff s GLU 108 N -0.70 2.46 -0.21 0.43 -6.30 0.28 -1.87 118.70 112.79 3kff s GLU 108 Ca 0.13 -0.76 -0.12 0.00 -2.50 0.00 0.00 54.97 51.72 3kff s GLU 108 Cb -0.12 -1.98 0.07 0.00 0.00 0.00 0.00 34.13 32.10 3kff s GLU 108 CO 0.03 0.22 0.51 0.21 0.02 0.00 0.00 175.26 176.25 3kff s LYS 109 N 0.20 0.52 -1.81 4.30 2.20 -0.42 -0.99 119.74 123.73 3kff s LYS 109 Ca -0.11 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 3kff s LYS 109 Cb -0.15 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 3kff s LYS 109 CO 0.05 -0.15 0.00 -3.47 -0.36 0.00 0.00 175.35 171.42 3kff n ASP 110 N 4.20 -5.78 0.00 1.43 2.03 -1.26 -1.74 116.55 115.42 3kff n ASP 110 Ca -0.22 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.15 3kff n ASP 110 Cb 0.57 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.12 3kff n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kff n GLY 111 N -0.93 0.34 3.64 0.27 0.00 -1.26 -5.01 105.19 102.24 3kff n GLY 111 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3kff n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kff s LYS 112 N -0.67 2.43 0.17 1.61 -0.14 -0.71 -5.13 119.74 117.29 3kff s LYS 112 Ca 0.00 -0.87 0.07 0.00 -1.36 0.00 0.00 55.97 53.81 3kff s LYS 112 Cb 0.00 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.64 3kff s LYS 112 CO 0.00 0.54 -0.14 0.95 -0.76 0.00 0.00 175.35 175.95 3kff s THR 113 N -1.23 1.52 0.10 2.17 -4.23 -1.26 -1.30 115.64 111.41 3kff s THR 113 Ca 0.23 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.60 3kff s THR 113 Cb -0.11 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.87 3kff s THR 113 CO 0.15 -0.57 0.23 0.72 -0.54 0.00 0.00 174.62 174.61 3kff s PHE 114 N -2.79 0.11 -0.02 3.99 -0.12 -0.78 -4.99 117.98 113.39 3kff s PHE 114 Ca 0.17 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.50 3kff s PHE 114 Cb -0.01 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3kff s PHE 114 CO 0.04 -0.59 0.17 -0.65 -0.05 0.00 0.00 175.22 174.15 3kff s GLN 115 N -3.86 3.40 -0.04 1.99 -0.21 -1.26 -1.06 119.66 118.61 3kff s GLN 115 Ca 0.06 -0.32 0.05 0.00 0.02 0.00 0.00 55.36 55.16 3kff s GLN 115 Cb 0.04 -3.08 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 3kff s GLN 115 CO -0.10 0.68 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.06 3kff s LEU 116 N -1.84 1.94 0.03 2.90 1.43 0.38 -2.80 118.68 120.71 3kff s LEU 116 Ca 0.26 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3kff s LEU 116 Cb -0.12 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3kff s LEU 116 CO 0.17 0.17 -0.21 -0.04 0.23 0.00 0.00 176.35 176.67 3kff s MET 117 N 0.00 1.48 -0.01 1.70 -1.94 0.17 -0.42 119.30 120.28 3kff s MET 117 Ca -0.03 -0.88 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 3kff s MET 117 Cb -0.12 -1.54 0.00 0.00 2.01 0.00 0.00 34.83 35.18 3kff s MET 117 CO 0.02 0.40 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.17 3kff s GLU 118 N -0.96 0.50 -0.24 2.03 2.02 -0.77 -0.91 118.70 120.37 3kff s GLU 118 Ca 0.08 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.86 3kff s GLU 118 Cb -0.09 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.66 3kff s GLU 118 CO 0.01 0.09 -0.04 -1.17 0.02 0.00 0.00 175.26 174.17 3kff s LEU 119 N 0.04 3.09 0.12 1.80 2.96 -0.46 -0.95 118.68 125.29 3kff s LEU 119 Ca -0.00 -0.64 0.06 0.00 -0.22 0.00 0.00 54.13 53.33 3kff s LEU 119 Cb -0.04 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3kff s LEU 119 CO -0.00 -0.08 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.63 3kff s TYR 120 N 1.41 2.92 0.16 5.38 2.02 -0.21 -0.90 117.35 128.13 3kff s TYR 120 Ca 0.03 -0.08 0.09 0.00 -0.37 0.00 0.00 57.07 56.74 3kff s TYR 120 Cb -0.15 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3kff s TYR 120 CO -0.04 0.49 -0.19 0.20 -1.57 0.00 0.00 175.55 174.44 3kff s GLY 121 N -2.54 1.40 0.36 0.71 0.00 0.11 -1.54 107.32 105.82 3kff s GLY 121 Ca 0.26 -1.48 0.27 0.00 0.00 0.00 0.00 44.72 43.77 3kff s GLY 121 CO 0.18 -1.53 1.78 3.21 0.00 0.00 0.00 173.10 176.74 3kff h ARG 122 N 3.30 0.00 -5.76 2.90 2.47 -1.38 0.13 114.38 116.05 3kff h ARG 122 Ca -0.43 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.69 3kff h ARG 122 Cb 1.20 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.42 3kff h ARG 122 CO 0.50 0.00 -0.52 0.15 0.56 0.00 0.00 179.97 180.66 3kff s LYS 123 N -3.33 2.14 0.00 0.04 1.02 -1.26 -4.77 119.74 113.57 3kff s LYS 123 Ca 0.06 -1.99 0.17 0.00 0.02 0.00 0.00 55.97 54.23 3kff s LYS 123 Cb 0.09 -1.84 0.74 0.00 -0.52 0.00 0.00 37.83 36.30 3kff s LYS 123 CO 0.54 -0.15 1.55 0.00 -0.92 0.00 0.00 175.35 176.37 3kff n ALA 124 N -1.18 1.79 -2.36 5.17 0.00 -1.26 -4.56 120.51 118.10 3kff n ALA 124 Ca -0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3kff n ALA 124 Cb 0.66 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 3kff n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kff s ASP 125 N -3.00 0.20 0.11 0.00 3.68 -1.26 -4.89 116.67 111.51 3kff s ASP 125 Ca 0.08 -1.09 0.05 0.00 2.13 0.00 0.00 52.55 53.73 3kff s ASP 125 Cb 0.11 0.35 -0.04 0.00 -1.45 0.00 0.00 42.92 41.90 3kff s ASP 125 CO 0.31 -0.79 -0.13 -0.76 0.13 0.00 0.00 175.17 173.93 3kff s LEU 126 N -3.02 2.39 0.91 -1.34 1.43 -1.26 -4.87 118.68 112.91 3kff s LEU 126 Ca 0.22 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 3kff s LEU 126 Cb 0.06 -0.46 0.13 0.00 0.03 0.00 0.00 46.19 45.96 3kff s LEU 126 CO 0.01 -0.18 1.10 0.54 0.23 0.00 0.00 176.35 178.06 3kff s ASN 127 N -2.35 3.46 0.38 2.29 2.20 -1.26 -4.82 114.94 114.85 3kff s ASN 127 Ca 0.06 1.25 0.09 0.00 -0.94 0.00 0.00 52.86 53.33 3kff s ASN 127 Cb -0.05 -1.92 0.77 0.00 -2.00 0.00 0.00 41.25 38.06 3kff s ASN 127 CO 0.02 -2.62 1.92 -1.28 -2.94 0.00 0.00 177.10 172.20 3kff h SER 128 N -1.54 0.25 -0.07 3.54 0.87 -2.01 -1.91 113.55 112.67 3kff h SER 128 Ca -0.51 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 3kff h SER 128 Cb 1.30 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3kff h SER 128 CO 0.58 0.39 0.04 -0.78 -0.53 0.00 0.00 176.83 176.53 3kff h ASP 129 N 0.25 0.10 -0.52 6.23 1.82 -1.99 0.39 116.42 122.70 3kff h ASP 129 Ca 0.05 -0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.54 3kff h ASP 129 Cb 0.36 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 3kff h ASP 129 CO 0.02 0.17 0.13 0.40 -1.61 0.00 0.00 179.24 178.35 3kff h ILE 130 N 0.01 1.24 -0.50 2.25 2.04 -1.88 -1.16 117.51 119.51 3kff h ILE 130 Ca 0.03 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3kff h ILE 130 Cb 0.10 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3kff h ILE 130 CO -0.00 0.31 0.32 0.11 0.00 0.00 0.00 178.15 178.89 3kff h LYS 131 N 0.73 0.67 -0.37 2.37 1.57 -1.19 -1.30 116.57 119.04 3kff h LYS 131 Ca 0.16 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3kff h LYS 131 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3kff h LYS 131 CO 0.00 0.47 -0.10 0.93 -0.57 0.00 0.00 179.45 180.18 3kff h GLU 132 N 0.67 0.65 -0.78 3.15 5.08 -0.62 0.11 114.58 122.84 3kff h GLU 132 Ca 0.18 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3kff h GLU 132 Cb -0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3kff h GLU 132 CO -0.04 0.74 0.33 0.87 -1.00 0.00 0.00 179.01 179.91 3kff h LYS 133 N 0.59 1.15 -0.58 2.33 1.57 -0.92 -1.31 116.57 119.41 3kff h LYS 133 Ca 0.11 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3kff h LYS 133 Cb 0.53 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3kff h LYS 133 CO 0.03 0.92 0.23 0.35 -0.57 0.00 0.00 179.45 180.42 3kff h PHE 134 N 1.12 0.89 -0.69 -1.35 3.57 -0.64 -1.59 116.94 118.25 3kff h PHE 134 Ca 0.26 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3kff h PHE 134 Cb 0.18 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3kff h PHE 134 CO 0.02 0.71 0.42 0.28 -2.23 0.00 0.00 178.31 177.51 3kff h VAL 135 N 0.81 1.06 -0.54 1.41 2.07 -0.57 0.59 116.25 121.07 3kff h VAL 135 Ca 0.19 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3kff h VAL 135 Cb 0.20 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3kff h VAL 135 CO -0.02 0.15 0.06 0.50 0.02 0.00 0.00 177.57 178.28 3kff h LYS 136 N 0.81 0.87 -0.47 1.57 3.64 -0.98 -1.20 116.57 120.80 3kff h LYS 136 Ca 0.29 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3kff h LYS 136 Cb 0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3kff h LYS 136 CO -0.13 0.83 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.76 3kff h LEU 137 N 0.82 0.80 -0.36 5.20 3.38 -0.59 -1.19 115.31 123.37 3kff h LEU 137 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kff h LEU 137 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kff h LEU 137 CO 0.01 0.89 0.23 0.00 0.09 0.00 0.00 178.44 179.66 3kff h GLU 139 N 0.47 0.44 0.00 0.00 5.08 -0.78 0.24 114.58 120.03 3kff h GLU 139 Ca 0.13 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kff h GLU 139 Cb -0.03 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3kff h GLU 139 CO -0.03 0.34 -0.00 1.49 -1.00 0.00 0.00 179.01 179.81 3kff h GLU 140 N 0.45 0.00 -0.60 2.33 4.81 -0.84 -1.30 114.58 119.42 3kff h GLU 140 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kff h GLU 140 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3kff h GLU 140 CO -0.02 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 178.98 3kff n HIS 141 N -3.09 1.20 -1.02 0.92 8.25 -0.09 -4.95 115.22 116.44 3kff n HIS 141 Ca -0.01 -0.59 -0.01 0.00 -0.26 0.00 0.00 57.72 56.85 3kff n HIS 141 Cb 0.19 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 3kff n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kff n GLY 142 N 1.02 0.47 3.49 -1.41 0.00 -0.49 -5.00 105.19 103.28 3kff n GLY 142 Ca 0.23 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3kff n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kff s ILE 143 N -1.94 4.98 0.68 -0.61 1.01 -0.26 -4.88 121.20 120.18 3kff s ILE 143 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3kff s ILE 143 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3kff s ILE 143 CO 0.00 -0.53 1.06 0.27 0.00 0.00 0.00 174.94 175.74 3kff s ILE 144 N 2.40 4.11 0.39 2.92 -4.36 -1.26 -2.60 121.20 122.80 3kff s ILE 144 Ca 0.16 0.69 0.08 0.00 -0.26 0.00 0.00 60.65 61.31 3kff s ILE 144 Cb -0.16 -3.50 0.29 0.00 1.25 0.00 0.00 42.46 40.34 3kff s ILE 144 CO 0.15 -0.90 1.99 0.50 0.24 0.00 0.00 174.94 176.92 3kff h LYS 145 N -0.65 0.62 0.00 0.37 3.64 -1.97 0.06 116.57 118.65 3kff h LYS 145 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kff h LYS 145 Cb 1.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3kff h LYS 145 CO 0.58 0.41 0.00 0.93 -2.27 0.00 0.00 179.45 179.10 3kff h GLU 146 N 0.64 0.00 -0.43 1.90 3.07 -2.00 -2.76 114.58 115.00 3kff h GLU 146 Ca 0.27 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 3kff h GLU 146 Cb 0.24 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3kff h GLU 146 CO -0.08 0.00 0.04 0.09 -1.40 0.00 0.00 179.01 177.66 3kff n ASN 147 N -2.48 4.44 -4.18 1.42 4.13 0.01 -4.89 115.26 113.71 3kff n ASN 147 Ca -0.00 -3.09 -0.33 0.00 1.68 0.00 0.00 54.58 52.84 3kff n ASN 147 Cb 0.14 -0.62 -0.16 0.00 -1.54 0.00 0.00 39.78 37.60 3kff n ASN 147 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kff s ILE 148 N -2.88 2.32 -0.14 2.41 1.01 -1.04 -2.31 121.20 120.57 3kff s ILE 148 Ca 0.48 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3kff s ILE 148 Cb 0.38 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3kff s ILE 148 CO 0.11 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.87 3kff s ILE 149 N 1.09 3.60 -0.61 2.92 1.01 0.72 -4.96 121.20 124.98 3kff s ILE 149 Ca -0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 3kff s ILE 149 Cb -0.14 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.83 3kff s ILE 149 CO -0.06 0.51 0.95 -0.62 0.00 0.00 0.00 174.94 175.71 3kff s ASP 150 N 0.26 6.24 0.22 3.58 3.68 -1.26 -1.44 116.67 127.95 3kff s ASP 150 Ca -0.05 -0.70 0.23 0.00 2.13 0.00 0.00 52.55 54.16 3kff s ASP 150 Cb -0.14 -2.42 0.93 0.00 -1.45 0.00 0.00 42.92 39.83 3kff s ASP 150 CO 0.04 -1.34 1.69 0.18 0.13 0.00 0.00 175.17 175.87 3kff n LEU 151 N 7.58 0.59 0.22 -1.34 4.77 -0.03 -2.34 117.00 126.44 3kff n LEU 151 Ca -0.01 0.64 0.15 0.00 -0.03 0.00 0.00 56.01 56.76 3kff n LEU 151 Cb 0.46 -0.55 0.70 0.00 -2.33 0.00 0.00 43.42 41.70 3kff n LEU 151 CO 0.64 -0.50 0.95 0.71 -1.33 0.00 0.00 177.39 177.86 3kff h THR 152 N 0.00 0.00 -0.78 -5.08 1.35 -1.84 -1.78 112.91 104.78 3kff h THR 152 Ca 0.00 -0.22 -0.43 0.00 -0.55 0.00 0.00 66.41 65.22 3kff h THR 152 Cb 0.37 1.02 -0.25 0.00 -1.73 0.00 0.00 68.15 67.56 3kff h THR 152 CO 0.00 0.00 0.40 0.29 -0.25 0.00 0.00 175.52 175.96 3kff n LYS 153 N -2.63 2.19 -4.24 4.72 4.01 -0.99 -4.96 118.16 116.26 3kff n LYS 153 Ca 0.00 -3.13 -0.15 0.00 -0.51 0.00 0.00 58.31 54.52 3kff n LYS 153 Cb 0.18 -2.08 -0.10 0.00 -0.51 0.00 0.00 35.03 32.53 3kff n LYS 153 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3kff s THR 154 N -3.46 0.06 -0.54 -0.18 -4.23 -0.67 -5.08 115.64 101.54 3kff s THR 154 Ca 0.54 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.76 3kff s THR 154 Cb 0.46 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3kff s THR 154 CO 0.06 0.00 1.24 0.21 -0.54 0.00 0.00 174.62 175.59 3kff s ASN 155 N -3.24 6.42 0.00 3.99 3.84 -1.26 -4.84 114.94 119.86 3kff s ASN 155 Ca 0.39 0.29 0.23 0.00 0.21 0.00 0.00 52.86 53.97 3kff s ASN 155 Cb 0.06 -2.55 0.60 0.00 -0.55 0.00 0.00 41.25 38.80 3kff s ASN 155 CO 0.16 -1.47 1.51 0.54 -2.79 0.00 0.00 177.10 175.05 3kff n ARG 156 N 8.32 2.65 -2.80 0.43 1.74 -1.26 -4.89 116.66 120.84 3kff n ARG 156 Ca 0.11 -2.54 -0.22 0.00 -0.77 0.00 0.00 57.85 54.43 3kff n ARG 156 Cb 0.49 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 3kff n ARG 156 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kff h LEU 158 N -0.87 0.93 -2.45 0.00 3.38 -1.96 -0.81 115.31 113.52 3kff h LEU 158 Ca -0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3kff h LEU 158 Cb 1.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3kff h LEU 158 CO 0.57 0.59 0.00 0.07 0.09 0.00 0.00 178.44 179.76 3kff h LYS 159 N 1.05 0.00 -0.00 1.13 2.10 -2.04 -2.13 116.57 116.68 3kff h LYS 159 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3kff h LYS 159 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3kff h LYS 159 CO -0.15 0.00 -0.33 0.00 -2.00 0.00 0.00 179.45 176.97 3kff n ALA 160 N -2.03 3.20 1.08 0.07 0.00 -0.31 -5.24 120.51 117.28 3kff n ALA 160 Ca -0.02 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.16 3kff n ALA 160 Cb 0.11 -1.17 0.51 0.00 0.00 0.00 0.00 19.45 18.91 3kff n ALA 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04