#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.46 -0.00 3.49 0.00 -1.26 -4.56 119.74 117.87 2k4a s LYS 2 Ca 0.00 1.01 0.05 0.00 0.00 0.00 0.00 55.97 57.02 2k4a s LYS 2 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 37.83 38.11 2k4a s LYS 2 CO 0.00 -0.44 0.19 -0.11 0.00 0.00 0.00 175.35 174.99 2k4a n LEU 3 N 5.41 0.20 0.00 2.77 7.94 0.24 -4.16 117.00 129.39 2k4a n LEU 3 Ca -0.06 -0.46 0.00 0.00 -1.11 0.00 0.00 56.01 54.38 2k4a n LEU 3 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2k4a n LEU 3 CO 0.01 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 2k4a n GLY 4 N 1.20 0.42 3.24 -3.96 0.00 -0.68 -3.70 105.19 101.72 2k4a n GLY 4 Ca 0.01 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2k4a n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 5 N 0.00 0.56 -0.42 1.61 1.02 -0.90 0.88 119.74 122.48 2k4a s LYS 5 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.10 2k4a s LYS 5 Cb 0.00 0.26 0.13 0.00 -0.52 0.00 0.00 37.83 37.70 2k4a s LYS 5 CO 0.00 -0.13 0.22 -1.17 -0.92 0.00 0.00 175.35 173.35 2k4a s LEU 6 N -0.68 2.54 -0.01 3.17 2.96 0.37 -1.13 118.68 125.90 2k4a s LEU 6 Ca -0.08 -2.49 -0.30 0.00 -0.22 0.00 0.00 54.13 51.04 2k4a s LEU 6 Cb -0.04 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 2k4a s LEU 6 CO 0.03 -0.29 1.44 0.00 -1.32 0.00 0.00 176.35 176.21 2k4a s GLN 7 N 0.54 4.26 0.13 1.98 0.00 -1.14 -2.92 119.66 122.51 2k4a s GLN 7 Ca 0.17 2.00 -0.05 0.00 -0.00 0.00 0.00 55.36 57.48 2k4a s GLN 7 Cb -0.24 -3.63 -0.02 0.00 0.00 0.00 0.00 33.01 29.12 2k4a s GLN 7 CO -0.02 -0.62 0.15 1.52 0.00 0.00 0.00 175.29 176.31 2k4a s TYR 8 N 2.64 0.54 -0.30 9.60 -0.85 -1.07 -0.09 117.35 127.82 2k4a s TYR 8 Ca 0.65 -0.94 -0.01 0.00 -0.52 0.00 0.00 57.07 56.25 2k4a s TYR 8 Cb -0.32 -0.25 0.10 0.00 0.38 0.00 0.00 41.96 41.87 2k4a s TYR 8 CO 0.26 -0.58 0.09 -1.54 -1.52 0.00 0.00 175.55 172.27 2k4a s SER 9 N -2.97 3.95 -0.02 -0.18 1.04 0.20 -2.17 113.70 113.55 2k4a s SER 9 Ca 0.16 -1.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.00 2k4a s SER 9 Cb 0.06 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 2k4a s SER 9 CO -0.02 -0.40 0.15 -0.76 0.98 0.00 0.00 173.24 173.18 2k4a s LEU 10 N 1.63 4.22 0.35 2.42 1.43 0.24 -2.90 118.68 126.08 2k4a s LEU 10 Ca 0.09 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2k4a s LEU 10 Cb -0.17 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2k4a s LEU 10 CO -0.24 0.28 0.27 1.51 0.23 0.00 0.00 176.35 178.40 2k4a s ASP 11 N -1.78 1.91 0.19 2.29 1.47 0.82 0.24 116.67 121.82 2k4a s ASP 11 Ca 0.25 -1.78 0.07 0.00 1.18 0.00 0.00 52.55 52.27 2k4a s ASP 11 Cb -0.12 0.57 -0.05 0.00 -0.34 0.00 0.00 42.92 42.98 2k4a s ASP 11 CO 0.16 -1.07 -0.13 -0.72 0.68 0.00 0.00 175.17 174.09 2k4a s TYR 12 N -3.38 1.59 -0.08 2.11 1.13 -1.26 0.19 117.35 117.65 2k4a s TYR 12 Ca 0.38 -0.62 -0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2k4a s TYR 12 Cb 0.02 -0.75 0.02 0.00 -1.10 0.00 0.00 41.96 40.15 2k4a s TYR 12 CO 0.27 0.28 -0.05 0.34 -2.51 0.00 0.00 175.55 173.88 2k4a s ASP 13 N -3.26 1.65 0.00 -0.18 -1.08 0.14 -4.84 116.67 109.10 2k4a s ASP 13 Ca 0.21 -0.19 0.23 0.00 -0.52 0.00 0.00 52.55 52.28 2k4a s ASP 13 Cb 0.00 -0.61 0.17 0.00 -1.46 0.00 0.00 42.92 41.02 2k4a s ASP 13 CO 0.05 -0.11 1.19 2.22 0.52 0.00 0.00 175.17 179.03 2k4a n PHE 14 N 4.69 0.00 0.07 -5.34 1.16 -1.26 -1.20 117.46 115.58 2k4a n PHE 14 Ca -0.15 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.22 2k4a n PHE 14 Cb 0.50 -0.06 -0.15 0.00 -1.61 0.00 0.00 39.48 38.16 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k4a h GLN 15 N 1.16 0.36 0.00 3.97 3.07 -1.95 -3.34 115.11 118.38 2k4a h GLN 15 Ca 0.00 -0.62 0.00 0.00 0.09 0.00 0.00 58.65 58.12 2k4a h GLN 15 Cb 0.60 0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.39 2k4a h GLN 15 CO 0.00 1.30 -1.23 0.27 0.09 0.00 0.00 178.83 179.25 2k4a n ASN 16 N -4.02 0.76 -2.50 0.06 0.23 -1.26 -5.04 115.26 103.48 2k4a n ASN 16 Ca -0.15 -0.74 -0.02 0.00 -0.53 0.00 0.00 54.58 53.14 2k4a n ASN 16 Cb 0.89 1.25 0.00 0.00 -2.08 0.00 0.00 39.78 39.85 2k4a n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k4a n ASN 17 N -1.68 -6.02 -3.63 0.53 2.85 -0.86 -4.92 115.26 101.53 2k4a n ASN 17 Ca 0.02 0.14 -0.03 0.00 -0.11 0.00 0.00 54.58 54.60 2k4a n ASN 17 Cb 0.38 -3.98 -0.01 0.00 1.24 0.00 0.00 39.78 37.41 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -2.59 0.65 0.00 1.20 1.03 -0.34 -2.92 119.66 116.69 2k4a s GLN 18 Ca 0.08 -0.32 -0.01 0.00 0.04 0.00 0.00 55.36 55.14 2k4a s GLN 18 Cb -0.02 0.25 -0.04 0.00 0.03 0.00 0.00 33.01 33.23 2k4a s GLN 18 CO 0.52 -0.29 0.14 -0.51 -2.54 0.00 0.00 175.29 172.60 2k4a s LEU 19 N -2.70 4.15 -0.48 2.60 1.43 0.03 0.26 118.68 123.97 2k4a s LEU 19 Ca 0.11 0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2k4a s LEU 19 Cb 0.01 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 43.87 2k4a s LEU 19 CO -0.03 0.26 0.37 -0.22 0.23 0.00 0.00 176.35 176.95 2k4a s LEU 20 N -1.91 5.77 -0.44 1.79 1.98 0.49 0.78 118.68 127.13 2k4a s LEU 20 Ca 0.26 -1.89 -0.22 0.00 -2.89 0.00 0.00 54.13 49.39 2k4a s LEU 20 Cb -0.12 -2.04 0.02 0.00 0.66 0.00 0.00 46.19 44.71 2k4a s LEU 20 CO 0.17 -0.72 0.70 -0.69 -1.89 0.00 0.00 176.35 173.93 2k4a s VAL 21 N 1.39 4.75 -0.36 1.68 1.01 -0.07 -0.12 120.40 128.68 2k4a s VAL 21 Ca 0.05 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2k4a s VAL 21 Cb -0.27 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 31.96 2k4a s VAL 21 CO -0.00 -0.65 0.09 -0.83 0.00 0.00 0.00 175.10 173.72 2k4a s GLY 22 N 2.05 1.94 -0.18 4.51 0.00 -1.14 0.57 107.32 115.06 2k4a s GLY 22 Ca 0.26 -2.48 -0.15 0.00 0.00 0.00 0.00 44.72 42.35 2k4a s GLY 22 CO 0.20 0.95 0.35 -0.26 0.00 0.00 0.00 173.10 174.35 2k4a s ILE 23 N 1.01 5.24 0.00 0.90 -0.00 -1.12 0.59 121.20 127.82 2k4a s ILE 23 Ca 0.09 0.64 -0.04 0.00 -0.00 0.00 0.00 60.65 61.33 2k4a s ILE 23 Cb -0.20 -3.69 -0.02 0.00 -0.00 0.00 0.00 42.46 38.54 2k4a s ILE 23 CO -0.06 0.31 0.72 0.40 -0.00 0.00 0.00 174.94 176.30 2k4a h ILE 24 N 4.90 0.00 -1.91 8.37 2.04 -0.85 -1.63 117.51 128.43 2k4a h ILE 24 Ca -0.38 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.49 2k4a h ILE 24 Cb 1.16 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 37.05 2k4a h ILE 24 CO 0.73 0.00 0.47 0.00 0.00 0.00 0.00 178.15 179.35 2k4a s GLN 25 N -2.66 0.75 -0.04 2.37 -2.07 -1.20 -0.88 119.66 115.93 2k4a s GLN 25 Ca -0.02 -0.02 -0.01 0.00 -1.82 0.00 0.00 55.36 53.50 2k4a s GLN 25 Cb 0.00 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 2k4a s GLN 25 CO 0.06 -0.28 0.03 0.00 -1.32 0.00 0.00 175.29 173.79 2k4a s ALA 26 N -1.92 3.39 -0.01 2.60 0.00 -1.20 -2.87 121.76 121.75 2k4a s ALA 26 Ca -0.00 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2k4a s ALA 26 Cb -0.01 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 2k4a s ALA 26 CO -0.02 0.64 -0.08 0.00 0.00 0.00 0.00 175.76 176.30 2k4a s ALA 27 N -1.04 0.71 -0.08 0.00 0.00 -0.28 -3.26 121.76 117.81 2k4a s ALA 27 Ca 0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 2k4a s ALA 27 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2k4a s ALA 27 CO 0.08 0.16 0.07 0.39 0.00 0.00 0.00 175.76 176.46 2k4a n GLU 28 N 2.96 -0.46 -2.87 0.00 1.02 0.07 -2.13 120.64 119.23 2k4a n GLU 28 Ca -0.14 0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 2k4a n GLU 28 Cb 0.57 -2.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.21 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4a s LEU 29 N -1.84 4.61 0.64 -4.62 1.43 -0.82 -3.81 118.68 114.27 2k4a s LEU 29 Ca 0.02 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.71 2k4a s LEU 29 Cb -0.01 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 2k4a s LEU 29 CO 0.05 0.17 0.65 -2.65 0.23 0.00 0.00 176.35 174.80 2k4a n PRO 30 N 1.68 0.52 -3.11 1.29 -0.02 -1.26 -4.76 135.00 129.33 2k4a n PRO 30 Ca -0.04 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 2k4a n PRO 30 Cb 0.48 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -1.75 3.56 -0.13 3.55 0.00 -1.26 -4.55 121.76 121.18 2k4a s ALA 31 Ca 0.70 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.14 2k4a s ALA 31 Cb -0.40 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 2k4a s ALA 31 CO 0.53 -0.98 -0.07 -0.11 0.00 0.00 0.00 175.76 175.14 2k4a n LEU 32 N 5.83 1.94 -4.81 0.00 -0.00 -0.87 -4.88 117.00 114.21 2k4a n LEU 32 Ca -0.01 -0.05 -0.32 0.00 -0.00 0.00 0.00 56.01 55.63 2k4a n LEU 32 Cb 0.49 -0.22 0.01 0.00 -0.00 0.00 0.00 43.42 43.70 2k4a n LEU 32 CO 0.45 0.57 0.71 -0.62 -0.00 0.00 0.00 177.39 178.50 2k4a s ASP 33 N -5.01 5.85 -1.21 1.96 -1.08 0.23 -4.90 116.67 112.52 2k4a s ASP 33 Ca -0.14 1.73 -0.08 0.00 -0.52 0.00 0.00 52.55 53.54 2k4a s ASP 33 Cb 0.04 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.90 2k4a s ASP 33 CO 0.37 -1.12 2.57 0.80 0.52 0.00 0.00 175.17 178.31 2k4a n MET 34 N -2.19 2.84 -2.48 4.34 0.00 -1.26 -3.78 117.12 114.58 2k4a n MET 34 Ca 0.08 -1.78 -0.03 0.00 -0.00 0.00 0.00 57.70 55.97 2k4a n MET 34 Cb 0.53 -2.59 0.02 0.00 0.00 0.00 0.00 33.22 31.18 2k4a n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k4a n GLY 35 N 3.61 -0.24 2.55 -5.12 0.00 -1.26 -4.97 105.19 99.75 2k4a n GLY 35 Ca 0.60 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N -0.53 -0.50 2.58 -0.02 0.00 -1.25 -4.84 105.19 100.64 2k4a n GLY 36 Ca -0.19 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -2.99 0.00 -3.63 2.61 -2.24 -1.26 -4.85 114.28 101.92 2k4a n THR 37 Ca -0.06 -0.93 -0.07 0.00 -2.27 0.00 0.00 64.05 60.72 2k4a n THR 37 Cb 0.55 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.53 2k4a n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k4a n SER 38 N -1.53 -1.64 -2.90 3.42 7.64 -1.26 0.75 113.62 118.10 2k4a n SER 38 Ca -0.04 -2.21 -0.29 0.00 1.01 0.00 0.00 58.87 57.34 2k4a n SER 38 Cb 0.42 2.75 -0.02 0.00 -1.01 0.00 0.00 64.21 66.35 2k4a n SER 38 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k4a n ASP 39 N -1.44 4.95 -4.68 6.43 9.92 -1.26 0.83 116.55 131.30 2k4a n ASP 39 Ca -0.06 -3.70 -0.42 0.00 -0.53 0.00 0.00 54.79 50.07 2k4a n ASP 39 Cb 0.44 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 40.28 2k4a n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k4a s PRO 40 N -3.60 4.34 -0.01 -0.24 0.04 -1.26 -0.10 135.00 134.16 2k4a s PRO 40 Ca 0.48 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2k4a s PRO 40 Cb 0.30 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2k4a s PRO 40 CO -0.16 -0.48 -0.15 1.52 0.04 0.00 0.00 177.00 177.77 2k4a s TYR 41 N 2.45 1.37 -0.01 0.56 -0.85 0.36 -4.27 117.35 116.97 2k4a s TYR 41 Ca 0.54 -0.27 -0.25 0.00 -0.52 0.00 0.00 57.07 56.56 2k4a s TYR 41 Cb -0.23 -0.89 -0.04 0.00 0.38 0.00 0.00 41.96 41.18 2k4a s TYR 41 CO 0.19 -0.04 0.79 0.14 -1.52 0.00 0.00 175.55 175.11 2k4a s VAL 42 N -0.30 4.90 -0.17 -3.49 -7.23 -1.26 0.12 120.40 112.97 2k4a s VAL 42 Ca 0.05 1.65 0.01 0.00 -1.81 0.00 0.00 61.98 61.88 2k4a s VAL 42 Cb -0.06 -4.13 0.03 0.00 0.56 0.00 0.00 36.38 32.77 2k4a s VAL 42 CO -0.00 0.27 -0.16 -1.59 -0.31 0.00 0.00 175.10 173.30 2k4a s LYS 43 N 0.57 2.55 0.00 4.82 -2.85 0.42 -2.18 119.74 123.07 2k4a s LYS 43 Ca 0.41 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 54.33 2k4a s LYS 43 Cb -0.19 -2.38 -0.04 0.00 -2.06 0.00 0.00 37.83 33.15 2k4a s LYS 43 CO 0.22 -0.27 1.19 0.14 0.10 0.00 0.00 175.35 176.73 2k4a s VAL 44 N 1.37 4.20 0.21 1.79 -7.23 -0.88 -1.99 120.40 117.88 2k4a s VAL 44 Ca 0.03 1.56 0.08 0.00 -1.81 0.00 0.00 61.98 61.84 2k4a s VAL 44 Cb -0.14 -4.00 -0.05 0.00 0.56 0.00 0.00 36.38 32.76 2k4a s VAL 44 CO -0.11 0.06 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.23 2k4a s PHE 45 N 1.60 1.77 0.13 2.82 0.08 0.16 -4.01 117.98 120.53 2k4a s PHE 45 Ca 0.57 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.11 2k4a s PHE 45 Cb -0.27 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2k4a s PHE 45 CO 0.26 0.40 -0.09 -0.51 -0.10 0.00 0.00 175.22 175.17 2k4a s LEU 46 N -3.33 2.51 0.00 -0.37 2.01 -1.26 0.84 118.68 119.07 2k4a s LEU 46 Ca 0.23 -0.98 0.00 0.00 0.01 0.00 0.00 54.13 53.39 2k4a s LEU 46 Cb -0.01 -0.28 0.00 0.00 0.01 0.00 0.00 46.19 45.90 2k4a s LEU 46 CO 0.08 -0.35 0.00 0.00 1.01 0.00 0.00 176.35 177.09 2k4a n LEU 47 N -0.04 0.00 -0.09 1.79 -0.00 -0.25 -4.23 117.00 114.18 2k4a n LEU 47 Ca -0.12 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 55.95 2k4a n LEU 47 Cb 0.60 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.13 2k4a n LEU 47 CO 0.31 -1.10 0.23 -2.65 -0.00 0.00 0.00 177.39 174.18 2k4a n PRO 48 N -1.47 -0.02 -0.41 1.47 -0.02 -1.26 0.07 135.00 133.36 2k4a n PRO 48 Ca 0.00 0.37 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2k4a n PRO 48 Cb 0.00 -0.62 -0.10 0.00 -0.02 0.00 0.00 33.50 32.76 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4a n ASP 49 N -3.91 -1.04 -1.41 2.55 2.03 -1.26 -4.75 116.55 108.76 2k4a n ASP 49 Ca 0.07 1.75 -0.09 0.00 0.52 0.00 0.00 54.79 57.05 2k4a n ASP 49 Cb 0.25 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 2k4a n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k4a n LYS 50 N -5.21 -1.35 -2.15 -0.67 4.76 0.11 -4.82 118.16 108.83 2k4a n LYS 50 Ca 0.02 0.50 -0.40 0.00 -2.87 0.00 0.00 58.31 55.56 2k4a n LYS 50 Cb 0.25 -4.71 0.00 0.00 -1.84 0.00 0.00 35.03 28.73 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4a n LYS 51 N -1.72 4.70 0.00 1.97 5.02 -1.26 -4.76 118.16 122.11 2k4a n LYS 51 Ca -0.09 -3.75 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 2k4a n LYS 51 Cb 0.32 -2.55 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 1.12 0.00 -3.57 1.97 2.85 -1.26 -4.45 118.16 114.82 2k4a n LYS 52 Ca 0.57 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.59 2k4a n LYS 52 Cb 0.26 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.49 2k4a n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4a s LYS 53 N 0.00 0.10 -0.04 -1.58 2.20 -1.26 -4.61 119.74 114.55 2k4a s LYS 53 Ca 0.00 -0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 2k4a s LYS 53 Cb 0.00 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 2k4a s LYS 53 CO 0.00 -0.69 -0.12 0.12 -0.36 0.00 0.00 175.35 174.30 2k4a s PHE 54 N 2.19 1.22 -0.16 4.03 2.19 -1.26 -5.05 117.98 121.13 2k4a s PHE 54 Ca 0.04 -0.34 0.01 0.00 0.33 0.00 0.00 56.93 56.97 2k4a s PHE 54 Cb -0.16 -0.86 0.02 0.00 -1.31 0.00 0.00 43.02 40.71 2k4a s PHE 54 CO -0.12 -0.14 -0.20 -2.00 1.83 0.00 0.00 175.22 174.59 2k4a s GLU 55 N 0.24 2.88 0.67 10.12 2.12 -1.26 -2.07 118.70 131.40 2k4a s GLU 55 Ca -0.05 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 2k4a s GLU 55 Cb -0.11 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2k4a s GLU 55 CO 0.01 -0.15 1.06 0.95 -0.54 0.00 0.00 175.26 176.59 2k4a s THR 56 N 1.16 4.05 0.28 -1.70 -4.23 -0.93 -4.99 115.64 109.29 2k4a s THR 56 Ca 0.01 0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 60.95 2k4a s THR 56 Cb -0.14 -3.44 -0.10 0.00 1.34 0.00 0.00 72.50 70.16 2k4a s THR 56 CO -0.09 -0.81 1.48 -0.75 -0.54 0.00 0.00 174.62 173.90 2k4a s LYS 57 N -4.86 4.22 0.77 3.99 2.20 -1.26 -4.77 119.74 120.03 2k4a s LYS 57 Ca 0.59 2.39 -0.14 0.00 -0.36 0.00 0.00 55.97 58.45 2k4a s LYS 57 Cb -0.14 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 33.16 2k4a s LYS 57 CO 0.51 -0.47 1.18 1.55 -0.36 0.00 0.00 175.35 177.76 2k4a n VAL 58 N 2.06 2.63 -3.96 4.02 3.14 -1.26 -4.80 118.33 120.15 2k4a n VAL 58 Ca 0.06 -0.28 -0.31 0.00 -2.96 0.00 0.00 64.34 60.86 2k4a n VAL 58 Cb 0.39 -1.23 -0.14 0.00 -1.06 0.00 0.00 33.84 31.80 2k4a n VAL 58 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2k4a s HIS 59 N -1.96 3.40 -0.46 1.45 0.09 -1.26 -5.02 115.29 111.52 2k4a s HIS 59 Ca 0.75 -3.08 -0.34 0.00 -0.00 0.00 0.00 55.06 52.39 2k4a s HIS 59 Cb -0.31 -2.89 -0.12 0.00 -0.00 0.00 0.00 32.58 29.26 2k4a s HIS 59 CO 0.49 -0.82 2.29 2.89 -0.00 0.00 0.00 174.74 179.59 2k4a n ARG 60 N 3.54 0.88 -3.13 1.40 -4.01 -1.26 -3.64 116.66 110.44 2k4a n ARG 60 Ca 0.05 0.20 -0.11 0.00 -1.04 0.00 0.00 57.85 56.94 2k4a n ARG 60 Cb 0.36 -2.43 0.01 0.00 -3.04 0.00 0.00 32.46 27.36 2k4a n ARG 60 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2k4a n LYS 61 N 8.32 -1.67 -3.64 2.89 4.76 -1.07 -4.98 118.16 122.77 2k4a n LYS 61 Ca 0.45 1.55 -0.08 0.00 -2.87 0.00 0.00 58.31 57.36 2k4a n LYS 61 Cb 0.24 -2.82 -0.07 0.00 -1.84 0.00 0.00 35.03 30.53 2k4a n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k4a s THR 62 N -1.47 0.00 -0.25 -0.18 -1.32 0.24 -4.82 115.64 107.84 2k4a s THR 62 Ca 0.14 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.72 2k4a s THR 62 Cb -0.02 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.19 2k4a s THR 62 CO 0.50 0.00 1.16 0.18 -2.21 0.00 0.00 174.62 174.25 2k4a n LEU 63 N 2.11 2.57 -2.74 9.08 4.77 -1.26 -4.13 117.00 127.40 2k4a n LEU 63 Ca -0.12 -2.46 -0.09 0.00 -0.03 0.00 0.00 56.01 53.31 2k4a n LEU 63 Cb 0.56 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2k4a n LEU 63 CO 0.02 0.63 0.35 -3.20 -1.33 0.00 0.00 177.39 173.86 2k4a n ASN 64 N -0.56 -2.20 -4.79 -1.43 5.15 -1.26 -0.75 115.26 109.41 2k4a n ASN 64 Ca 0.10 -3.53 -0.37 0.00 -0.60 0.00 0.00 54.58 50.18 2k4a n ASN 64 Cb 0.49 1.75 -0.06 0.00 -0.53 0.00 0.00 39.78 41.43 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N 0.18 4.01 0.15 1.20 0.04 -1.20 -4.93 135.00 134.44 2k4a s PRO 65 Ca 0.22 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 2k4a s PRO 65 Cb 0.31 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 2k4a s PRO 65 CO -0.06 0.48 0.41 0.14 0.04 0.00 0.00 177.00 178.01 2k4a s VAL 66 N -0.28 5.11 0.00 -0.36 -7.23 -1.26 -3.25 120.40 113.12 2k4a s VAL 66 Ca 0.19 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2k4a s VAL 66 Cb -0.14 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2k4a s VAL 66 CO 0.07 0.07 0.00 0.33 -0.31 0.00 0.00 175.10 175.26 2k4a n PHE 67 N 0.22 -0.49 -3.27 2.82 7.35 -0.06 -4.99 117.46 119.03 2k4a n PHE 67 Ca -0.03 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.51 2k4a n PHE 67 Cb 0.52 0.21 0.08 0.00 0.35 0.00 0.00 39.48 40.64 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k4a n ASN 68 N -1.92 -3.38 -4.79 -2.13 5.15 -0.17 -4.97 115.26 103.05 2k4a n ASN 68 Ca 0.00 -0.61 -0.36 0.00 -0.60 0.00 0.00 54.58 53.02 2k4a n ASN 68 Cb 0.00 -4.85 -0.06 0.00 -0.53 0.00 0.00 39.78 34.34 2k4a n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k4a s GLU 69 N -4.97 4.41 -0.40 1.20 2.56 -1.05 -4.83 118.70 115.62 2k4a s GLU 69 Ca 0.13 1.30 -0.11 0.00 0.00 0.00 0.00 54.97 56.29 2k4a s GLU 69 Cb -0.02 -2.58 0.05 0.00 2.00 0.00 0.00 34.13 33.58 2k4a s GLU 69 CO 0.68 0.12 0.24 -1.14 -0.56 0.00 0.00 175.26 174.61 2k4a s GLN 70 N -2.45 2.78 -0.26 4.30 -0.44 -1.26 -2.80 119.66 119.53 2k4a s GLN 70 Ca 0.55 -1.21 -0.13 0.00 -2.50 0.00 0.00 55.36 52.07 2k4a s GLN 70 Cb -0.16 -3.80 -0.04 0.00 -1.64 0.00 0.00 33.01 27.36 2k4a s GLN 70 CO 0.21 -0.81 0.28 0.12 0.50 0.00 0.00 175.29 175.59 2k4a s PHE 71 N 1.53 3.26 -0.88 1.67 5.36 0.19 -4.94 117.98 124.18 2k4a s PHE 71 Ca 0.02 0.30 -0.24 0.00 -0.96 0.00 0.00 56.93 56.06 2k4a s PHE 71 Cb -0.21 -2.45 0.06 0.00 -0.34 0.00 0.00 43.02 40.08 2k4a s PHE 71 CO 0.06 -0.14 1.31 0.99 -1.46 0.00 0.00 175.22 175.98 2k4a s THR 72 N 1.73 3.99 -1.18 0.12 2.01 -1.26 -0.90 115.64 120.15 2k4a s THR 72 Ca 0.11 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 2k4a s THR 72 Cb -0.15 -4.94 -0.03 0.00 0.01 0.00 0.00 72.50 67.38 2k4a s THR 72 CO 0.09 -1.81 2.00 0.33 -0.69 0.00 0.00 174.62 174.54 2k4a n PHE 73 N 8.65 3.15 -1.54 4.92 -0.00 0.23 -4.90 117.46 127.97 2k4a n PHE 73 Ca 0.19 -2.38 -0.24 0.00 -0.00 0.00 0.00 57.45 55.02 2k4a n PHE 73 Cb 0.50 -2.33 -0.09 0.00 -0.00 0.00 0.00 39.48 37.56 2k4a n PHE 73 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2k4a n LYS 74 N 7.13 0.58 -3.57 -4.13 4.76 -1.26 -0.79 118.16 120.89 2k4a n LYS 74 Ca 0.50 -0.41 -0.01 0.00 -2.87 0.00 0.00 58.31 55.52 2k4a n LYS 74 Cb 0.42 -3.08 -0.06 0.00 -1.84 0.00 0.00 35.03 30.47 2k4a n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k4a s VAL 75 N 11.62 -0.14 0.33 -0.18 0.11 -1.15 -4.73 120.40 126.26 2k4a s VAL 75 Ca 1.03 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.80 2k4a s VAL 75 Cb -0.34 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.39 2k4a s VAL 75 CO 0.24 0.00 1.40 -2.65 -3.33 0.00 0.00 175.10 170.76 2k4a n PRO 76 N 4.00 2.33 -0.35 1.54 -0.02 -1.18 -2.84 135.00 138.49 2k4a n PRO 76 Ca -0.15 0.82 0.25 0.00 -2.02 0.00 0.00 63.50 62.40 2k4a n PRO 76 Cb 0.56 -2.48 0.51 0.00 -0.02 0.00 0.00 33.50 32.07 2k4a n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k4a h TYR 77 N 3.25 0.71 0.06 6.00 -0.00 -1.88 0.62 116.97 125.74 2k4a h TYR 77 Ca -0.47 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.28 2k4a h TYR 77 Cb 1.26 -0.20 0.00 0.00 0.00 0.00 0.00 36.73 37.79 2k4a h TYR 77 CO 0.53 -0.02 -0.03 0.66 -0.00 0.00 0.00 178.16 179.31 2k4a h SER 78 N 0.35 -0.06 -0.64 0.10 4.64 -1.99 -3.19 113.55 112.75 2k4a h SER 78 Ca 0.66 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2k4a h SER 78 Cb 1.69 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.77 2k4a h SER 78 CO -0.38 0.39 0.37 -0.33 -0.87 0.00 0.00 176.83 176.01 2k4a h GLU 79 N -0.53 0.90 -1.08 4.77 5.08 -1.10 -2.76 114.58 119.86 2k4a h GLU 79 Ca -0.01 -0.09 0.37 0.00 -1.00 0.00 0.00 59.36 58.63 2k4a h GLU 79 Cb 0.47 -0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.38 2k4a h GLU 79 CO 0.01 0.66 0.64 1.25 -1.00 0.00 0.00 179.01 180.56 2k4a h LEU 80 N 0.92 0.40 -0.96 1.33 6.46 0.11 -1.98 115.31 121.59 2k4a h LEU 80 Ca 0.24 0.19 0.15 0.00 -0.12 0.00 0.00 57.88 58.34 2k4a h LEU 80 Cb 0.00 0.16 -0.16 0.00 -0.73 0.00 0.00 40.66 39.94 2k4a h LEU 80 CO -0.04 -0.21 -0.38 1.23 -0.62 0.00 0.00 178.44 178.42 2k4a h GLY 81 N 0.19 0.09 -3.42 3.75 0.00 -1.60 0.38 103.07 102.46 2k4a h GLY 81 Ca 0.78 0.51 -0.28 0.00 0.00 0.00 0.00 47.33 48.33 2k4a h GLY 81 CO -0.59 -0.21 0.36 0.61 0.00 0.00 0.00 176.54 176.71 2k4a n GLY 82 N -1.48 3.58 3.07 4.60 0.00 -0.74 -2.18 105.19 112.04 2k4a n GLY 82 Ca 0.10 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -2.57 1.94 -0.31 1.61 3.01 0.13 -4.91 119.74 118.65 2k4a s LYS 83 Ca 0.45 -2.03 -0.26 0.00 -1.01 0.00 0.00 55.97 53.12 2k4a s LYS 83 Cb 0.37 -3.48 0.01 0.00 -1.01 0.00 0.00 37.83 33.72 2k4a s LYS 83 CO 0.10 -1.06 0.91 0.99 0.51 0.00 0.00 175.35 176.81 2k4a s THR 84 N 0.75 4.68 0.17 2.17 2.01 -1.26 -3.63 115.64 120.52 2k4a s THR 84 Ca 0.11 1.43 -0.09 0.00 0.31 0.00 0.00 61.69 63.45 2k4a s THR 84 Cb -0.22 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 67.97 2k4a s THR 84 CO -0.05 -0.34 0.48 -1.48 -0.69 0.00 0.00 174.62 172.54 2k4a s LEU 85 N 3.24 4.24 -0.09 4.42 2.34 -1.23 -1.10 118.68 130.51 2k4a s LEU 85 Ca 0.38 0.84 -0.01 0.00 0.06 0.00 0.00 54.13 55.40 2k4a s LEU 85 Cb -0.13 -3.42 0.03 0.00 -0.56 0.00 0.00 46.19 42.10 2k4a s LEU 85 CO 0.13 0.02 -0.04 0.68 -1.06 0.00 0.00 176.35 176.08 2k4a s VAL 86 N -1.66 0.73 -0.40 1.48 -7.23 0.25 -2.37 120.40 111.20 2k4a s VAL 86 Ca 0.42 -0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.31 2k4a s VAL 86 Cb -0.12 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.03 2k4a s VAL 86 CO 0.21 0.31 0.37 -0.32 -0.31 0.00 0.00 175.10 175.37 2k4a s MET 87 N 1.71 3.14 -0.13 4.82 1.75 0.77 0.38 119.30 131.74 2k4a s MET 87 Ca 0.03 -0.79 -0.01 0.00 -1.25 0.00 0.00 55.69 53.67 2k4a s MET 87 Cb -0.13 -3.94 -0.02 0.00 2.84 0.00 0.00 34.83 33.58 2k4a s MET 87 CO -0.06 -0.76 -0.10 0.00 -0.65 0.00 0.00 175.02 173.45 2k4a s ALA 88 N 1.96 2.75 -0.38 4.11 0.00 -0.84 -0.07 121.76 129.29 2k4a s ALA 88 Ca 0.10 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 2k4a s ALA 88 Cb -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.66 2k4a s ALA 88 CO 0.12 0.28 0.30 0.54 0.00 0.00 0.00 175.76 177.01 2k4a s VAL 89 N 0.20 5.24 -0.13 0.00 0.11 0.11 0.16 120.40 126.08 2k4a s VAL 89 Ca -0.06 -0.39 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2k4a s VAL 89 Cb -0.15 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2k4a s VAL 89 CO 0.04 -0.20 0.12 -0.47 -3.33 0.00 0.00 175.10 171.27 2k4a s TYR 90 N 1.79 3.51 0.54 1.54 5.04 0.33 -2.66 117.35 127.44 2k4a s TYR 90 Ca 0.07 0.44 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 2k4a s TYR 90 Cb -0.18 -1.95 -0.03 0.00 0.35 0.00 0.00 41.96 40.14 2k4a s TYR 90 CO 0.11 0.63 0.89 0.34 -1.34 0.00 0.00 175.55 176.17 2k4a s ASP 91 N -0.79 6.20 -0.32 4.32 2.15 -0.19 0.14 116.67 128.18 2k4a s ASP 91 Ca 0.13 1.10 0.18 0.00 0.43 0.00 0.00 52.55 54.39 2k4a s ASP 91 Cb -0.12 -2.29 0.46 0.00 -0.30 0.00 0.00 42.92 40.67 2k4a s ASP 91 CO 0.03 -0.73 1.00 0.33 -0.17 0.00 0.00 175.17 175.64 2k4a n PHE 92 N -2.47 0.87 -0.31 -5.34 7.35 0.86 -4.40 117.46 114.02 2k4a n PHE 92 Ca 0.03 -2.64 0.27 0.00 -0.76 0.00 0.00 57.45 54.34 2k4a n PHE 92 Cb 0.55 -0.20 0.50 0.00 0.35 0.00 0.00 39.48 40.68 2k4a n PHE 92 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2k4a n ASP 93 N -0.18 0.23 -0.55 -2.13 5.75 -1.26 -4.60 116.55 113.82 2k4a n ASP 93 Ca 0.08 1.61 0.00 0.00 -0.01 0.00 0.00 54.79 56.46 2k4a n ASP 93 Cb 0.82 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2k4a n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k4a n ARG 94 N -5.24 0.00 0.20 0.11 1.74 -1.26 -4.92 116.66 107.30 2k4a n ARG 94 Ca 0.33 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 2k4a n ARG 94 Cb 1.12 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4a n PHE 95 N -2.13 -4.15 -3.20 -1.55 -0.00 -1.26 -5.16 117.46 100.02 2k4a n PHE 95 Ca 0.00 1.29 -0.01 0.00 -0.00 0.00 0.00 57.45 58.73 2k4a n PHE 95 Cb 0.47 3.17 0.00 0.00 -0.00 0.00 0.00 39.48 43.12 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2k4a n SER 96 N -3.37 0.48 -4.59 -2.13 3.41 -1.26 -5.03 113.62 101.13 2k4a n SER 96 Ca 0.00 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.11 2k4a n SER 96 Cb 0.00 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k4a s LYS 97 N -2.12 3.29 0.74 4.33 -0.14 -1.26 -4.91 119.74 119.67 2k4a s LYS 97 Ca 0.02 0.90 -0.16 0.00 -1.36 0.00 0.00 55.97 55.38 2k4a s LYS 97 Cb -0.00 -4.16 -0.06 0.00 -1.68 0.00 0.00 37.83 31.93 2k4a s LYS 97 CO 0.02 -1.93 0.30 0.72 -0.76 0.00 0.00 175.35 173.70 2k4a n HIS 98 N 10.06 -1.58 -4.21 3.18 8.25 -1.26 -5.01 115.22 124.64 2k4a n HIS 98 Ca 0.18 0.31 -0.13 0.00 -0.26 0.00 0.00 57.72 57.82 2k4a n HIS 98 Cb 0.49 -1.83 -0.10 0.00 1.12 0.00 0.00 29.99 29.67 2k4a n HIS 98 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k4a s ASP 99 N -1.41 1.55 -0.96 0.41 -1.08 -1.26 -4.96 116.67 108.95 2k4a s ASP 99 Ca 0.61 -0.97 -0.15 0.00 -0.52 0.00 0.00 52.55 51.52 2k4a s ASP 99 Cb -0.34 0.02 0.19 0.00 -1.46 0.00 0.00 42.92 41.33 2k4a s ASP 99 CO 0.62 -0.36 1.04 -0.63 0.52 0.00 0.00 175.17 176.37 2k4a s ILE 100 N -3.25 5.27 0.49 4.11 1.01 -1.26 -1.02 121.20 126.55 2k4a s ILE 100 Ca 0.13 -2.31 0.31 0.00 0.00 0.00 0.00 60.65 58.78 2k4a s ILE 100 Cb 0.02 -4.66 0.50 0.00 0.01 0.00 0.00 42.46 38.33 2k4a s ILE 100 CO -0.01 -1.30 1.77 0.16 0.00 0.00 0.00 174.94 175.55 2k4a h ILE 101 N 4.98 0.40 -1.28 2.92 -2.65 -1.76 -3.34 117.51 116.79 2k4a h ILE 101 Ca 0.17 -0.05 0.32 0.00 1.03 0.00 0.00 64.86 66.33 2k4a h ILE 101 Cb 0.99 0.26 -0.16 0.00 -2.05 0.00 0.00 36.82 35.85 2k4a h ILE 101 CO 0.98 0.02 0.89 -0.83 0.03 0.00 0.00 178.15 179.25 2k4a s GLY 102 N -3.95 -0.36 -0.30 0.16 0.00 -1.24 -3.29 107.32 98.35 2k4a s GLY 102 Ca -0.06 1.25 -0.14 0.00 0.00 0.00 0.00 44.72 45.76 2k4a s GLY 102 CO 0.81 0.35 0.87 -1.83 0.00 0.00 0.00 173.10 173.29 2k4a s GLU 103 N -2.26 0.42 0.57 2.90 -1.05 0.28 0.05 118.70 119.61 2k4a s GLU 103 Ca 0.13 0.96 0.08 0.00 -0.15 0.00 0.00 54.97 55.99 2k4a s GLU 103 Cb 0.03 0.47 0.08 0.00 -0.44 0.00 0.00 34.13 34.26 2k4a s GLU 103 CO -0.04 -0.13 0.66 1.97 0.95 0.00 0.00 175.26 178.66 2k4a n PHE 104 N 4.82 -1.66 -3.55 4.83 1.16 0.90 -4.72 117.46 119.24 2k4a n PHE 104 Ca -0.13 -2.19 -0.07 0.00 -1.87 0.00 0.00 57.45 53.20 2k4a n PHE 104 Cb 0.53 -0.51 -0.02 0.00 -1.61 0.00 0.00 39.48 37.87 2k4a n PHE 104 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 2k4a s LYS 105 N -4.49 0.66 -0.27 3.97 0.00 -1.26 -0.17 119.74 118.18 2k4a s LYS 105 Ca 0.50 -0.25 -0.18 0.00 0.00 0.00 0.00 55.97 56.04 2k4a s LYS 105 Cb -0.04 0.29 0.08 0.00 0.00 0.00 0.00 37.83 38.16 2k4a s LYS 105 CO 0.32 -0.29 0.68 0.54 0.00 0.00 0.00 175.35 176.60 2k4a s VAL 106 N -2.88 -0.00 -0.21 1.79 0.11 -1.00 -5.02 120.40 113.19 2k4a s VAL 106 Ca 0.07 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2k4a s VAL 106 Cb -0.01 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2k4a s VAL 106 CO -0.07 0.00 1.98 -2.84 -3.33 0.00 0.00 175.10 170.84 2k4a s PRO 107 N 1.35 3.42 0.30 1.54 0.02 -1.26 -3.53 135.00 136.84 2k4a s PRO 107 Ca -0.08 1.89 0.04 0.00 0.02 0.00 0.00 61.00 62.87 2k4a s PRO 107 Cb -0.05 -4.25 0.68 0.00 0.02 0.00 0.00 34.50 30.91 2k4a s PRO 107 CO -0.15 -1.76 1.79 0.52 -0.33 0.00 0.00 177.00 177.07 2k4a h MET 108 N 13.21 0.79 -1.14 5.54 2.86 -1.79 0.82 114.93 135.22 2k4a h MET 108 Ca -0.39 -0.05 0.32 0.00 -2.06 0.00 0.00 59.70 57.52 2k4a h MET 108 Cb 1.21 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 32.61 2k4a h MET 108 CO 0.98 0.52 0.77 -0.97 1.06 0.00 0.00 176.91 179.27 2k4a h ASN 109 N 0.81 0.24 0.23 1.22 -1.24 -1.60 0.27 115.58 115.51 2k4a h ASN 109 Ca 0.55 0.05 -0.34 0.00 0.71 0.00 0.00 56.30 57.28 2k4a h ASN 109 Cb 0.79 0.02 0.03 0.00 0.73 0.00 0.00 38.32 39.88 2k4a h ASN 109 CO -0.36 0.02 -1.58 0.74 -1.29 0.00 0.00 177.43 174.97 2k4a h THR 110 N 0.20 1.15 -0.88 -3.57 2.02 -1.15 -3.41 112.91 107.25 2k4a h THR 110 Ca 0.61 -2.62 -0.46 0.00 0.77 0.00 0.00 66.41 64.71 2k4a h THR 110 Cb 1.95 2.94 -0.07 0.00 -1.74 0.00 0.00 68.15 71.22 2k4a h THR 110 CO -0.19 0.83 1.21 -0.69 0.37 0.00 0.00 175.52 177.04 2k4a s VAL 111 N -2.59 3.71 0.56 3.16 1.01 0.96 -4.96 120.40 122.26 2k4a s VAL 111 Ca -0.12 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 2k4a s VAL 111 Cb 0.04 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2k4a s VAL 111 CO 0.91 -1.47 1.36 -0.90 0.00 0.00 0.00 175.10 175.00 2k4a n ASP 112 N 11.34 2.64 -1.86 3.32 5.68 -1.26 -4.87 116.55 131.54 2k4a n ASP 112 Ca 0.38 0.96 -0.21 0.00 -0.50 0.00 0.00 54.79 55.41 2k4a n ASP 112 Cb 0.49 -1.58 0.08 0.00 -1.14 0.00 0.00 41.12 38.97 2k4a n ASP 112 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2k4a n PHE 113 N -1.18 2.41 -0.05 2.11 1.16 -1.26 -4.76 117.46 115.89 2k4a n PHE 113 Ca 0.11 -2.26 0.17 0.00 -1.87 0.00 0.00 57.45 53.60 2k4a n PHE 113 Cb 0.45 -0.66 0.61 0.00 -1.61 0.00 0.00 39.48 38.27 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k4a h GLY 114 N 1.81 0.28 0.00 4.97 0.00 -2.01 -3.43 103.07 104.69 2k4a h GLY 114 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2k4a h GLY 114 CO 0.87 0.03 0.00 1.42 0.00 0.00 0.00 176.54 178.86 2k4a n HIS 115 N -4.42 -0.88 -3.70 5.60 8.25 -1.26 -5.14 115.22 113.66 2k4a n HIS 115 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 2k4a n HIS 115 Cb 0.54 0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.80 2k4a n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k4a s VAL 116 N -0.49 -0.01 -0.74 1.59 -7.23 -1.26 -4.39 120.40 107.87 2k4a s VAL 116 Ca 0.00 0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.04 2k4a s VAL 116 Cb 0.00 -0.67 0.18 0.00 0.56 0.00 0.00 36.38 36.45 2k4a s VAL 116 CO 0.00 0.01 0.72 -0.89 -0.31 0.00 0.00 175.10 174.63 2k4a s THR 117 N 0.56 5.38 -0.48 5.32 2.01 0.67 -4.94 115.64 124.17 2k4a s THR 117 Ca -0.03 -2.03 -0.06 0.00 0.31 0.00 0.00 61.69 59.89 2k4a s THR 117 Cb -0.04 -4.46 0.12 0.00 0.01 0.00 0.00 72.50 68.13 2k4a s THR 117 CO -0.03 -1.03 0.31 -1.61 -0.69 0.00 0.00 174.62 171.56 2k4a s GLU 118 N 0.94 2.31 0.04 4.92 2.02 -1.26 0.83 118.70 128.51 2k4a s GLU 118 Ca 0.15 -1.91 0.02 0.00 0.02 0.00 0.00 54.97 53.24 2k4a s GLU 118 Cb -0.16 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.28 2k4a s GLU 118 CO -0.05 -1.14 -0.07 -1.83 0.02 0.00 0.00 175.26 172.19 2k4a s GLU 119 N 1.04 0.52 -1.27 1.61 -1.05 -0.92 -5.00 118.70 113.63 2k4a s GLU 119 Ca 0.09 -0.80 -0.13 0.00 -0.15 0.00 0.00 54.97 53.98 2k4a s GLU 119 Cb -0.23 -0.19 0.14 0.00 -0.44 0.00 0.00 34.13 33.40 2k4a s GLU 119 CO -0.03 0.02 1.72 0.91 0.95 0.00 0.00 175.26 178.83 2k4a n TRP 120 N 1.29 4.04 -1.69 4.83 5.03 -1.26 -2.61 117.44 127.08 2k4a n TRP 120 Ca -0.22 -3.05 -0.44 0.00 3.03 0.00 0.00 57.50 56.83 2k4a n TRP 120 Cb 0.56 -2.20 -0.03 0.00 -1.03 0.00 0.00 31.31 28.60 2k4a n TRP 120 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2k4a n ARG 121 N 5.40 2.62 -2.34 -0.99 3.00 -1.15 -4.80 116.66 118.40 2k4a n ARG 121 Ca 0.41 0.95 -0.32 0.00 -0.00 0.00 0.00 57.85 58.89 2k4a n ARG 121 Cb 0.40 -2.82 -0.02 0.00 0.00 0.00 0.00 32.46 30.02 2k4a n ARG 121 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2k4a s ASP 122 N 2.43 6.39 -0.17 6.15 -4.77 -1.26 0.14 116.67 125.58 2k4a s ASP 122 Ca 0.82 1.67 -0.04 0.00 -3.30 0.00 0.00 52.55 51.70 2k4a s ASP 122 Cb -0.54 -2.52 -0.03 0.00 -1.09 0.00 0.00 42.92 38.74 2k4a s ASP 122 CO 0.38 -0.75 -0.03 -0.76 0.70 0.00 0.00 175.17 174.72 2k4a s LEU 123 N -4.09 3.21 -0.08 2.11 1.43 0.25 -4.66 118.68 116.86 2k4a s LEU 123 Ca 0.61 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2k4a s LEU 123 Cb -0.12 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2k4a s LEU 123 CO 0.31 0.14 -0.18 0.00 0.23 0.00 0.00 176.35 176.84 2k4a s GLN 124 N 0.56 2.77 0.94 1.70 1.03 -1.26 0.80 119.66 126.20 2k4a s GLN 124 Ca -0.03 -0.78 -0.12 0.00 0.04 0.00 0.00 55.36 54.48 2k4a s GLN 124 Cb -0.14 -2.36 0.15 0.00 0.03 0.00 0.00 33.01 30.69 2k4a s GLN 124 CO 0.03 0.41 1.09 -1.12 -2.54 0.00 0.00 175.29 173.16 2k4a s SER 125 N -0.20 3.01 -0.01 12.60 0.01 -1.26 -0.56 113.70 127.29 2k4a s SER 125 Ca -0.01 1.58 -0.18 0.00 1.31 0.00 0.00 55.95 58.65 2k4a s SER 125 Cb -0.13 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2k4a s SER 125 CO 0.03 -2.94 0.39 0.00 0.41 0.00 0.00 173.24 171.13 2k4a s ALA 126 N -2.83 -0.97 -0.37 1.44 0.00 -1.21 -4.52 121.76 113.31 2k4a s ALA 126 Ca 0.65 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 2k4a s ALA 126 Cb -0.20 0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.11 2k4a s ALA 126 CO 0.58 -0.31 0.14 -1.21 0.00 0.00 0.00 175.76 174.96 2k4a s GLU 127 N -1.52 2.30 0.00 0.00 2.02 -1.26 -4.57 118.70 115.66 2k4a s GLU 127 Ca -0.12 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.36 2k4a s GLU 127 Cb -0.03 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.72 2k4a s GLU 127 CO 0.04 -0.87 0.34 1.63 0.02 0.00 0.00 175.26 176.43