#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 0.54 -0.01 3.49 0.00 -1.26 -4.64 119.74 117.85 2k4a s LYS 2 Ca 0.00 0.92 0.09 0.00 0.00 0.00 0.00 55.97 56.97 2k4a s LYS 2 Cb 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 37.83 38.20 2k4a s LYS 2 CO 0.00 -0.61 0.19 -0.11 0.00 0.00 0.00 175.35 174.81 2k4a n LEU 3 N 5.43 0.00 0.00 2.77 7.94 0.10 -4.20 117.00 129.04 2k4a n LEU 3 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2k4a n LEU 3 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2k4a n LEU 3 CO 0.01 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2k4a n GLY 4 N 2.02 0.08 3.04 -3.96 0.00 -0.59 -3.50 105.19 102.27 2k4a n GLY 4 Ca -0.02 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.18 0.18 -0.10 1.61 1.02 -0.39 -0.06 119.74 121.83 2k4a s LYS 5 Ca 0.00 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.22 2k4a s LYS 5 Cb 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2k4a s LYS 5 CO 0.00 -0.02 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.13 2k4a s LEU 6 N 0.08 1.45 -0.00 3.17 0.20 0.31 0.53 118.68 124.42 2k4a s LEU 6 Ca -0.00 -0.33 -0.12 0.00 0.69 0.00 0.00 54.13 54.37 2k4a s LEU 6 Cb -0.01 -0.90 -0.05 0.00 -0.43 0.00 0.00 46.19 44.80 2k4a s LEU 6 CO 0.00 -0.05 0.35 -1.10 -0.29 0.00 0.00 176.35 175.26 2k4a s GLN 7 N 1.25 3.77 0.19 1.98 -1.52 0.04 0.82 119.66 126.19 2k4a s GLN 7 Ca -0.03 0.22 -0.23 0.00 -1.95 0.00 0.00 55.36 53.37 2k4a s GLN 7 Cb -0.14 -3.15 0.05 0.00 -0.22 0.00 0.00 33.01 29.55 2k4a s GLN 7 CO -0.04 0.67 0.77 1.52 -0.25 0.00 0.00 175.29 177.97 2k4a s TYR 8 N -1.16 -0.27 -0.22 0.91 -0.85 -1.11 0.20 117.35 114.84 2k4a s TYR 8 Ca 0.25 -0.07 -0.04 0.00 -0.52 0.00 0.00 57.07 56.69 2k4a s TYR 8 Cb -0.15 0.64 0.09 0.00 0.38 0.00 0.00 41.96 42.92 2k4a s TYR 8 CO 0.13 -0.98 0.18 -1.54 -1.52 0.00 0.00 175.55 171.81 2k4a s SER 9 N -2.84 2.12 -0.12 -0.18 1.04 0.23 -2.25 113.70 111.69 2k4a s SER 9 Ca 0.09 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 55.81 2k4a s SER 9 Cb -0.03 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2k4a s SER 9 CO -0.00 -0.36 0.17 -0.76 0.98 0.00 0.00 173.24 173.27 2k4a s LEU 10 N 2.23 4.36 0.00 2.42 1.43 0.27 -2.91 118.68 126.48 2k4a s LEU 10 Ca 0.06 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2k4a s LEU 10 Cb -0.16 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2k4a s LEU 10 CO -0.19 0.35 0.11 -0.90 0.23 0.00 0.00 176.35 175.95 2k4a n ASP 11 N 2.30 1.84 -4.24 2.29 5.75 0.12 0.18 116.55 124.78 2k4a n ASP 11 Ca -0.18 -3.28 -0.15 0.00 -0.01 0.00 0.00 54.79 51.17 2k4a n ASP 11 Cb 0.54 0.89 -0.10 0.00 -1.03 0.00 0.00 41.12 41.42 2k4a n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2k4a s TYR 12 N -3.09 1.27 -0.25 2.11 -0.85 -1.26 0.13 117.35 115.42 2k4a s TYR 12 Ca 0.16 -0.72 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 2k4a s TYR 12 Cb 0.01 -0.65 0.07 0.00 0.38 0.00 0.00 41.96 41.76 2k4a s TYR 12 CO 0.11 0.09 -0.03 0.34 -1.52 0.00 0.00 175.55 174.54 2k4a s ASP 13 N -3.01 3.88 0.00 -0.18 -1.08 0.22 -4.80 116.67 111.70 2k4a s ASP 13 Ca 0.15 -1.26 0.29 0.00 -0.52 0.00 0.00 52.55 51.20 2k4a s ASP 13 Cb 0.01 -1.16 1.18 0.00 -1.46 0.00 0.00 42.92 41.49 2k4a s ASP 13 CO 0.01 -0.26 1.82 2.22 0.52 0.00 0.00 175.17 179.48 2k4a n PHE 14 N 4.68 0.00 -0.07 -5.34 -1.74 -1.26 -1.04 117.46 112.68 2k4a n PHE 14 Ca -0.10 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.66 2k4a n PHE 14 Cb 0.44 -0.13 -0.11 0.00 1.52 0.00 0.00 39.48 41.20 2k4a n PHE 14 CO 0.00 0.00 0.00 0.37 -0.56 0.00 0.00 176.76 176.57 2k4a h GLN 15 N 0.89 0.00 0.00 3.97 4.15 -1.94 -3.36 115.11 118.82 2k4a h GLN 15 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k4a h GLN 15 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2k4a h GLN 15 CO 0.00 0.87 -1.11 0.27 -1.93 0.00 0.00 178.83 176.93 2k4a n ASN 16 N -4.61 0.60 -2.00 -0.69 0.23 -1.25 -5.00 115.26 102.53 2k4a n ASN 16 Ca -0.11 -0.04 -0.04 0.00 -0.53 0.00 0.00 54.58 53.86 2k4a n ASN 16 Cb 0.44 0.82 0.02 0.00 -2.08 0.00 0.00 39.78 38.98 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 -2.18 -3.28 -3.85 0.53 2.85 -0.21 -4.91 115.26 104.22 2k4a n ASN 17 Ca 0.01 -0.21 -0.10 0.00 -0.11 0.00 0.00 54.58 54.17 2k4a n ASN 17 Cb 0.48 -1.89 -0.06 0.00 1.24 0.00 0.00 39.78 39.55 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 -3.48 1.17 -0.14 1.20 1.03 -0.24 -2.24 119.66 116.96 2k4a s GLN 18 Ca 0.13 -1.01 -0.05 0.00 0.04 0.00 0.00 55.36 54.47 2k4a s GLN 18 Cb -0.02 0.42 -0.04 0.00 0.03 0.00 0.00 33.01 33.41 2k4a s GLN 18 CO 0.22 -0.45 0.03 -0.51 -2.54 0.00 0.00 175.29 172.04 2k4a s LEU 19 N -2.91 3.66 -0.56 2.60 1.43 0.42 0.73 118.68 124.05 2k4a s LEU 19 Ca 0.12 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 2k4a s LEU 19 Cb 0.02 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.45 2k4a s LEU 19 CO -0.03 0.26 0.66 -0.22 0.23 0.00 0.00 176.35 177.24 2k4a s LEU 20 N -0.13 5.36 -0.53 1.79 1.98 0.35 0.42 118.68 127.92 2k4a s LEU 20 Ca 0.06 -1.33 -0.21 0.00 -2.89 0.00 0.00 54.13 49.75 2k4a s LEU 20 Cb -0.12 -2.32 0.05 0.00 0.66 0.00 0.00 46.19 44.45 2k4a s LEU 20 CO 0.02 -1.03 0.76 -0.69 -1.89 0.00 0.00 176.35 173.52 2k4a s VAL 21 N 2.55 4.67 -0.31 1.68 1.01 0.18 0.14 120.40 130.33 2k4a s VAL 21 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2k4a s VAL 21 Cb -0.23 -4.40 0.06 0.00 0.00 0.00 0.00 36.38 31.80 2k4a s VAL 21 CO 0.07 -0.94 0.01 -0.83 0.00 0.00 0.00 175.10 173.41 2k4a s GLY 22 N 2.77 1.77 0.24 4.51 0.00 -1.15 0.65 107.32 116.11 2k4a s GLY 22 Ca 0.21 -1.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 2k4a s GLY 22 CO 0.15 0.72 0.44 -0.26 0.00 0.00 0.00 173.10 174.15 2k4a s ILE 23 N 1.22 5.15 -0.14 0.90 -0.00 -1.26 0.75 121.20 127.83 2k4a s ILE 23 Ca -0.04 -0.28 -0.09 0.00 -0.00 0.00 0.00 60.65 60.23 2k4a s ILE 23 Cb -0.20 -3.75 -0.04 0.00 -0.00 0.00 0.00 42.46 38.47 2k4a s ILE 23 CO -0.02 -0.25 -0.13 0.40 -0.00 0.00 0.00 174.94 174.94 2k4a h ILE 24 N 1.42 0.07 -1.32 8.37 2.04 0.19 -3.33 117.51 124.95 2k4a h ILE 24 Ca -0.48 -1.09 0.32 0.00 1.00 0.00 0.00 64.86 64.62 2k4a h ILE 24 Cb 1.19 0.17 -0.15 0.00 -0.74 0.00 0.00 36.82 37.29 2k4a h ILE 24 CO 0.67 0.02 0.88 0.00 0.00 0.00 0.00 178.15 179.72 2k4a s GLN 25 N -2.20 0.26 -0.01 2.37 1.03 -1.09 -3.43 119.66 116.58 2k4a s GLN 25 Ca -0.15 -0.13 0.07 0.00 0.04 0.00 0.00 55.36 55.19 2k4a s GLN 25 Cb 0.02 0.10 -0.02 0.00 0.03 0.00 0.00 33.01 33.13 2k4a s GLN 25 CO 0.23 -0.12 -0.22 0.00 -2.54 0.00 0.00 175.29 172.65 2k4a s ALA 26 N -2.30 2.36 0.01 2.60 0.00 -1.18 -0.78 121.76 122.47 2k4a s ALA 26 Ca 0.13 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.03 2k4a s ALA 26 Cb 0.03 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2k4a s ALA 26 CO -0.04 0.54 -0.15 0.00 0.00 0.00 0.00 175.76 176.11 2k4a s ALA 27 N -0.71 1.25 -0.53 0.00 0.00 0.19 -3.15 121.76 118.80 2k4a s ALA 27 Ca 0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 2k4a s ALA 27 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2k4a s ALA 27 CO 0.01 0.28 0.46 0.39 0.00 0.00 0.00 175.76 176.90 2k4a n GLU 28 N 2.36 -3.11 -2.43 0.00 1.02 0.02 -1.26 120.64 117.26 2k4a n GLU 28 Ca -0.16 0.33 -0.40 0.00 -0.02 0.00 0.00 57.16 56.91 2k4a n GLU 28 Cb 0.55 -3.86 -0.04 0.00 -0.02 0.00 0.00 31.44 28.07 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 -3.57 4.52 0.38 -4.62 1.43 0.22 -3.92 118.68 113.12 2k4a s LEU 29 Ca 0.19 2.30 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 2k4a s LEU 29 Cb -0.08 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 2k4a s LEU 29 CO 0.29 -0.22 1.18 -2.65 0.23 0.00 0.00 176.35 175.18 2k4a n PRO 30 N 1.39 1.77 -2.75 1.29 -0.02 -1.26 -4.69 135.00 130.71 2k4a n PRO 30 Ca -0.00 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 2k4a n PRO 30 Cb 0.44 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.17 3.20 -0.06 3.55 0.00 -1.26 -4.56 121.76 121.46 2k4a s ALA 31 Ca 0.60 -0.72 0.15 0.00 0.00 0.00 0.00 51.96 51.98 2k4a s ALA 31 Cb -0.56 -3.73 -0.22 0.00 0.00 0.00 0.00 23.12 18.61 2k4a s ALA 31 CO 0.59 -2.14 0.24 1.28 0.00 0.00 0.00 175.76 175.73 2k4a n LEU 32 N 7.40 0.00 -4.85 0.00 7.99 -0.38 -4.79 117.00 122.37 2k4a n LEU 32 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.76 2k4a n LEU 32 Cb 0.49 0.12 -0.06 0.00 -0.11 0.00 0.00 43.42 43.86 2k4a n LEU 32 CO 0.66 0.12 0.45 -0.62 -1.51 0.00 0.00 177.39 176.50 2k4a s ASP 33 N -4.13 6.75 -0.63 -1.43 -1.08 0.57 -4.93 116.67 111.79 2k4a s ASP 33 Ca -0.06 1.31 -0.20 0.00 -0.52 0.00 0.00 52.55 53.08 2k4a s ASP 33 Cb 0.08 -2.39 -0.17 0.00 -1.46 0.00 0.00 42.92 38.99 2k4a s ASP 33 CO 0.63 -0.26 1.85 0.80 0.52 0.00 0.00 175.17 178.72 2k4a n MET 34 N -0.55 1.28 0.00 4.34 0.00 -1.26 -3.48 117.12 117.45 2k4a n MET 34 Ca 0.04 -1.58 0.00 0.00 -0.00 0.00 0.00 57.70 56.16 2k4a n MET 34 Cb 0.53 -2.73 0.00 0.00 0.00 0.00 0.00 33.22 31.02 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 4.46 0.00 3.20 -5.12 0.00 -1.26 -4.96 105.19 101.51 2k4a n GLY 35 Ca 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -0.48 2.16 -0.02 0.00 -1.23 -4.87 105.19 100.76 2k4a n GLY 36 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.62 0.00 -3.83 2.61 -2.24 -1.25 -4.82 114.28 101.14 2k4a n THR 37 Ca -0.02 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.88 2k4a n THR 37 Cb 0.53 0.63 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 2k4a n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k4a s SER 38 N -2.28 -0.02 -0.72 3.42 0.01 -1.26 0.21 113.70 113.06 2k4a s SER 38 Ca 0.13 -0.97 0.03 0.00 1.31 0.00 0.00 55.95 56.46 2k4a s SER 38 Cb -0.02 0.75 0.31 0.00 0.21 0.00 0.00 66.02 67.27 2k4a s SER 38 CO 0.10 -1.48 1.11 0.47 0.41 0.00 0.00 173.24 173.85 2k4a n ASP 39 N -1.26 5.01 -4.67 2.44 9.92 -1.26 -0.19 116.55 126.53 2k4a n ASP 39 Ca -0.07 -3.61 -0.43 0.00 -0.53 0.00 0.00 54.79 50.16 2k4a n ASP 39 Cb 0.60 -0.75 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 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 -3.35 4.32 0.01 -0.24 0.04 -1.25 -0.32 135.00 134.22 2k4a s PRO 40 Ca 0.44 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2k4a s PRO 40 Cb 0.21 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2k4a s PRO 40 CO -0.09 -0.51 -0.17 1.52 0.04 0.00 0.00 177.00 177.79 2k4a s TYR 41 N 2.67 1.51 -0.11 0.56 -0.85 0.28 -4.09 117.35 117.32 2k4a s TYR 41 Ca 0.50 -0.32 -0.22 0.00 -0.52 0.00 0.00 57.07 56.51 2k4a s TYR 41 Cb -0.20 -0.94 -0.03 0.00 0.38 0.00 0.00 41.96 41.17 2k4a s TYR 41 CO 0.15 0.01 0.66 0.14 -1.52 0.00 0.00 175.55 175.00 2k4a s VAL 42 N -0.58 5.05 -0.29 -3.49 -7.23 -1.26 0.11 120.40 112.71 2k4a s VAL 42 Ca 0.06 1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 61.55 2k4a s VAL 42 Cb -0.07 -4.00 0.05 0.00 0.56 0.00 0.00 36.38 32.92 2k4a s VAL 42 CO 0.00 0.22 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.40 2k4a s LYS 43 N 1.10 2.50 -0.00 4.82 -2.85 0.47 -2.00 119.74 123.78 2k4a s LYS 43 Ca 0.34 -1.21 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 2k4a s LYS 43 Cb -0.17 -3.11 -0.06 0.00 -2.06 0.00 0.00 37.83 32.42 2k4a s LYS 43 CO 0.15 -0.57 1.61 0.14 0.10 0.00 0.00 175.35 176.78 2k4a s VAL 44 N 1.26 3.42 0.20 1.79 -7.23 -0.64 -2.35 120.40 116.84 2k4a s VAL 44 Ca -0.04 0.70 0.10 0.00 -1.81 0.00 0.00 61.98 60.92 2k4a s VAL 44 Cb -0.19 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 2k4a s VAL 44 CO -0.02 -0.03 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.18 2k4a s PHE 45 N 3.26 2.01 0.11 2.82 0.08 0.17 -4.04 117.98 122.39 2k4a s PHE 45 Ca 0.72 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.38 2k4a s PHE 45 Cb -0.35 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2k4a s PHE 45 CO 0.30 0.45 -0.10 -0.51 -0.10 0.00 0.00 175.22 175.26 2k4a s LEU 46 N -2.91 2.44 0.00 -0.37 2.01 -1.26 0.37 118.68 118.95 2k4a s LEU 46 Ca 0.20 -0.86 0.00 0.00 0.01 0.00 0.00 54.13 53.48 2k4a s LEU 46 Cb -0.05 -0.31 0.00 0.00 0.01 0.00 0.00 46.19 45.84 2k4a s LEU 46 CO 0.09 -0.28 0.00 0.00 1.01 0.00 0.00 176.35 177.17 2k4a n LEU 47 N 0.37 0.00 -0.21 1.79 -0.00 0.22 -4.22 117.00 114.95 2k4a n LEU 47 Ca -0.15 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.06 2k4a n LEU 47 Cb 0.58 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 44.34 2k4a n LEU 47 CO 0.28 -1.39 0.61 -2.65 -0.00 0.00 0.00 177.39 174.24 2k4a n PRO 48 N -1.84 -0.03 -0.26 1.47 -0.02 -1.26 0.19 135.00 133.26 2k4a n PRO 48 Ca 0.00 0.70 -0.04 0.00 -2.02 0.00 0.00 63.50 62.14 2k4a n PRO 48 Cb 0.00 -1.32 0.01 0.00 -0.02 0.00 0.00 33.50 32.17 2k4a n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k4a h ASP 49 N 0.00 -1.28 -3.83 2.55 3.58 -1.93 -3.44 116.42 112.07 2k4a h ASP 49 Ca 0.46 0.25 -0.16 0.00 0.42 0.00 0.00 57.03 58.00 2k4a h ASP 49 Cb 1.37 0.64 -0.02 0.00 1.72 0.00 0.00 39.33 43.04 2k4a h ASP 49 CO -0.32 -0.30 -0.20 0.29 -2.88 0.00 0.00 179.24 175.83 2k4a n LYS 50 N -5.44 -2.29 -2.06 0.28 4.76 0.13 -4.83 118.16 108.70 2k4a n LYS 50 Ca 0.06 0.41 -0.38 0.00 -2.87 0.00 0.00 58.31 55.52 2k4a n LYS 50 Cb 0.37 -4.91 -0.00 0.00 -1.84 0.00 0.00 35.03 28.65 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 -2.52 4.29 0.00 1.97 5.02 -1.26 -4.81 118.16 120.85 2k4a n LYS 51 Ca -0.09 -3.58 0.00 0.00 -2.02 0.00 0.00 58.31 52.61 2k4a n LYS 51 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 0.93 0.00 -3.52 1.97 2.85 -1.26 -4.25 118.16 114.87 2k4a n LYS 52 Ca 0.55 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.61 2k4a n LYS 52 Cb 0.30 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.54 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 -0.18 0.16 -0.06 -1.58 2.20 -1.26 -4.65 119.74 114.37 2k4a s LYS 53 Ca 0.00 0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2k4a s LYS 53 Cb 0.00 -1.37 0.03 0.00 -1.51 0.00 0.00 37.83 34.98 2k4a s LYS 53 CO 0.00 -0.67 0.02 0.12 -0.36 0.00 0.00 175.35 174.46 2k4a s PHE 54 N 2.27 0.44 -0.25 4.03 2.19 -1.26 -5.05 117.98 120.36 2k4a s PHE 54 Ca 0.06 -0.01 -0.06 0.00 0.33 0.00 0.00 56.93 57.25 2k4a s PHE 54 Cb -0.16 -0.68 -0.02 0.00 -1.31 0.00 0.00 43.02 40.86 2k4a s PHE 54 CO -0.12 -0.27 0.03 -2.00 1.83 0.00 0.00 175.22 174.69 2k4a s GLU 55 N 2.02 3.47 1.05 10.12 2.12 -1.26 -1.61 118.70 134.60 2k4a s GLU 55 Ca 0.05 -0.59 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 2k4a s GLU 55 Cb -0.12 -3.22 0.22 0.00 0.26 0.00 0.00 34.13 31.26 2k4a s GLU 55 CO -0.04 -0.23 1.08 0.95 -0.54 0.00 0.00 175.26 176.47 2k4a s THR 56 N 1.55 1.98 0.29 -1.70 -4.23 -0.85 -4.99 115.64 107.71 2k4a s THR 56 Ca 0.06 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.28 2k4a s THR 56 Cb -0.15 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 2k4a s THR 56 CO 0.01 0.00 1.08 -0.75 -0.54 0.00 0.00 174.62 174.42 2k4a s LYS 57 N -4.90 4.59 0.23 3.99 2.20 -1.26 -4.83 119.74 119.76 2k4a s LYS 57 Ca 0.66 1.74 -0.32 0.00 -0.36 0.00 0.00 55.97 57.69 2k4a s LYS 57 Cb -0.19 -3.10 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 2k4a s LYS 57 CO 0.59 0.18 1.58 1.55 -0.36 0.00 0.00 175.35 178.90 2k4a n VAL 58 N 1.02 0.54 -3.57 4.02 3.14 -1.26 -4.79 118.33 117.45 2k4a n VAL 58 Ca -0.00 -0.14 -0.37 0.00 -2.96 0.00 0.00 64.34 60.87 2k4a n VAL 58 Cb 0.46 -1.78 -0.05 0.00 -1.06 0.00 0.00 33.84 31.41 2k4a n VAL 58 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2k4a n HIS 59 N 2.81 4.33 -1.60 1.45 -0.00 -1.26 -5.05 115.22 115.90 2k4a n HIS 59 Ca 0.13 -4.05 -0.50 0.00 -0.00 0.00 0.00 57.72 53.30 2k4a n HIS 59 Cb 0.33 -1.22 -0.05 0.00 -0.00 0.00 0.00 29.99 29.06 2k4a n HIS 59 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2k4a n ARG 60 N 2.29 1.30 -2.81 -0.41 -4.01 -1.26 -3.76 116.66 108.00 2k4a n ARG 60 Ca 0.23 0.47 -0.28 0.00 -1.04 0.00 0.00 57.85 57.23 2k4a n ARG 60 Cb 0.37 -2.06 0.03 0.00 -3.04 0.00 0.00 32.46 27.76 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 2.20 -1.34 -3.63 2.89 4.76 -0.61 -4.91 118.16 117.52 2k4a n LYS 61 Ca 0.16 0.98 -0.03 0.00 -2.87 0.00 0.00 58.31 56.55 2k4a n LYS 61 Cb 0.23 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 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 -1.10 -0.07 -1.81 -0.18 -1.32 0.73 -4.81 115.64 107.08 2k4a s THR 62 Ca 0.26 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.93 2k4a s THR 62 Cb -0.03 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.44 2k4a s THR 62 CO 0.62 0.00 1.40 0.18 -2.21 0.00 0.00 174.62 174.61 2k4a n LEU 63 N 3.99 3.49 -2.86 9.08 4.77 -1.26 -4.40 117.00 129.80 2k4a n LEU 63 Ca -0.18 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 53.85 2k4a n LEU 63 Cb 0.57 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2k4a n LEU 63 CO 0.01 0.84 0.07 -3.20 -1.33 0.00 0.00 177.39 173.77 2k4a n ASN 64 N 1.29 -2.17 -4.82 -1.43 5.15 -1.26 -0.61 115.26 111.40 2k4a n ASN 64 Ca 0.19 -3.14 -0.38 0.00 -0.60 0.00 0.00 54.58 50.65 2k4a n ASN 64 Cb 0.55 1.22 -0.06 0.00 -0.53 0.00 0.00 39.78 40.96 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 0.25 4.06 -0.28 1.20 0.04 -1.19 -4.94 135.00 134.15 2k4a s PRO 65 Ca 0.33 0.58 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 2k4a s PRO 65 Cb 0.20 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.57 2k4a s PRO 65 CO -0.21 0.66 -0.05 0.14 0.04 0.00 0.00 177.00 177.59 2k4a s VAL 66 N -1.10 2.71 0.00 -0.36 -7.23 -1.26 -3.10 120.40 110.06 2k4a s VAL 66 Ca 0.26 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2k4a s VAL 66 Cb -0.18 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2k4a s VAL 66 CO 0.16 -0.03 0.00 0.33 -0.31 0.00 0.00 175.10 175.25 2k4a n PHE 67 N 4.57 0.00 -2.42 2.82 -0.00 -1.25 -5.05 117.46 116.13 2k4a n PHE 67 Ca -0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.26 2k4a n PHE 67 Cb 0.44 0.11 0.01 0.00 -0.00 0.00 0.00 39.48 40.04 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k4a n ASN 68 N -2.63 -2.56 -4.72 -2.13 5.15 -1.22 -4.99 115.26 102.16 2k4a n ASN 68 Ca 0.00 -0.06 -0.42 0.00 -0.60 0.00 0.00 54.58 53.50 2k4a n ASN 68 Cb 0.34 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.03 2k4a n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k4a s GLU 69 N -4.76 4.33 0.11 1.20 2.02 -1.26 -4.75 118.70 115.60 2k4a s GLU 69 Ca 0.07 2.06 -0.24 0.00 0.02 0.00 0.00 54.97 56.88 2k4a s GLU 69 Cb -0.03 -3.25 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 2k4a s GLU 69 CO 0.08 -0.41 0.72 -1.14 0.02 0.00 0.00 175.26 174.53 2k4a s GLN 70 N 0.96 4.46 -0.17 1.61 -0.44 -1.26 -3.98 119.66 120.84 2k4a s GLN 70 Ca 0.63 1.02 -0.03 0.00 -2.50 0.00 0.00 55.36 54.49 2k4a s GLN 70 Cb -0.36 -3.28 -0.02 0.00 -1.64 0.00 0.00 33.01 27.71 2k4a s GLN 70 CO 0.31 0.53 -0.06 0.12 0.50 0.00 0.00 175.29 176.69 2k4a s PHE 71 N -0.90 2.94 -0.70 1.67 5.36 0.21 -4.98 117.98 121.58 2k4a s PHE 71 Ca 0.34 -0.63 -0.22 0.00 -0.96 0.00 0.00 56.93 55.47 2k4a s PHE 71 Cb -0.22 -1.98 0.08 0.00 -0.34 0.00 0.00 43.02 40.56 2k4a s PHE 71 CO 0.23 -0.27 0.97 0.99 -1.46 0.00 0.00 175.22 175.68 2k4a s THR 72 N 0.78 4.43 -1.28 0.12 2.01 -1.26 -0.65 115.64 119.79 2k4a s THR 72 Ca -0.02 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 2k4a s THR 72 Cb -0.15 -4.68 0.03 0.00 0.01 0.00 0.00 72.50 67.70 2k4a s THR 72 CO 0.02 -1.44 1.87 0.33 -0.69 0.00 0.00 174.62 174.71 2k4a n PHE 73 N 7.41 3.99 -1.77 4.92 -0.00 0.17 -4.88 117.46 127.30 2k4a n PHE 73 Ca 0.00 -2.58 -0.26 0.00 -0.00 0.00 0.00 57.45 54.61 2k4a n PHE 73 Cb 0.46 -2.57 -0.05 0.00 -0.00 0.00 0.00 39.48 37.32 2k4a n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2k4a s LYS 74 N 4.47 2.13 -0.30 -4.13 -0.14 -1.26 -0.44 119.74 120.07 2k4a s LYS 74 Ca 0.55 0.53 -0.17 0.00 -1.36 0.00 0.00 55.97 55.53 2k4a s LYS 74 Cb 0.06 -4.74 0.19 0.00 -1.68 0.00 0.00 37.83 31.65 2k4a s LYS 74 CO 0.06 -3.62 1.18 0.08 -0.76 0.00 0.00 175.35 172.29 2k4a s VAL 75 N 12.05 -0.10 0.38 3.17 1.01 -1.18 -4.70 120.40 131.03 2k4a s VAL 75 Ca 0.84 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 2k4a s VAL 75 Cb -0.12 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.14 2k4a s VAL 75 CO 0.12 0.00 1.11 -2.65 0.00 0.00 0.00 175.10 173.68 2k4a n PRO 76 N 3.93 1.60 -0.34 2.72 -0.02 -0.95 -3.79 135.00 138.16 2k4a n PRO 76 Ca -0.13 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2k4a n PRO 76 Cb 0.56 -2.12 0.34 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.91 0.94 0.00 6.00 -0.00 -1.91 0.81 116.97 124.72 2k4a h TYR 77 Ca -0.44 0.04 -0.05 0.00 0.00 0.00 0.00 58.73 58.27 2k4a h TYR 77 Cb 1.32 -0.26 -0.01 0.00 0.00 0.00 0.00 36.73 37.78 2k4a h TYR 77 CO 0.46 0.09 -0.26 0.66 -0.00 0.00 0.00 178.16 179.11 2k4a h SER 78 N 0.59 0.00 0.45 0.10 4.64 -1.98 -2.78 113.55 114.57 2k4a h SER 78 Ca 0.60 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.62 2k4a h SER 78 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2k4a h SER 78 CO -0.46 0.26 -1.47 -0.33 -0.87 0.00 0.00 176.83 173.96 2k4a h GLU 79 N 0.00 0.30 -1.24 4.77 5.08 0.06 -3.34 114.58 120.22 2k4a h GLU 79 Ca -0.00 -0.52 0.40 0.00 -1.00 0.00 0.00 59.36 58.23 2k4a h GLU 79 Cb 0.56 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 2k4a h GLU 79 CO 0.03 1.20 0.79 1.25 -1.00 0.00 0.00 179.01 181.29 2k4a h LEU 80 N 0.08 0.30 0.00 1.33 6.46 0.01 -2.85 115.31 120.64 2k4a h LEU 80 Ca -0.22 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2k4a h LEU 80 Cb 2.03 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2k4a h LEU 80 CO 0.19 -0.14 0.00 0.61 -0.62 0.00 0.00 178.44 178.48 2k4a n GLY 81 N -1.49 -3.13 1.74 3.75 0.00 -1.25 -0.93 105.19 103.87 2k4a n GLY 81 Ca 0.35 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.81 2k4a n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 82 N -1.00 3.61 2.97 -0.02 0.00 -1.08 -0.37 105.19 109.31 2k4a n GLY 82 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.81 2.59 -0.00 1.61 3.01 -0.11 -4.95 119.74 120.08 2k4a s LYS 83 Ca 0.31 -3.17 -0.30 0.00 -1.01 0.00 0.00 55.97 51.80 2k4a s LYS 83 Cb 0.26 -3.56 -0.07 0.00 -1.01 0.00 0.00 37.83 33.45 2k4a s LYS 83 CO 0.04 -1.25 1.70 0.99 0.51 0.00 0.00 175.35 177.34 2k4a s THR 84 N -1.17 3.35 0.01 2.17 2.01 -1.26 -4.33 115.64 116.42 2k4a s THR 84 Ca 0.24 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 2k4a s THR 84 Cb -0.09 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2k4a s THR 84 CO -0.12 -0.03 0.19 -1.48 -0.69 0.00 0.00 174.62 172.49 2k4a s LEU 85 N 3.68 4.37 -0.06 4.42 2.34 -1.24 -0.61 118.68 131.57 2k4a s LEU 85 Ca 0.76 0.33 -0.00 0.00 0.06 0.00 0.00 54.13 55.27 2k4a s LEU 85 Cb -0.37 -2.72 0.02 0.00 -0.56 0.00 0.00 46.19 42.57 2k4a s LEU 85 CO 0.32 0.23 -0.02 0.68 -1.06 0.00 0.00 176.35 176.50 2k4a s VAL 86 N -1.38 0.49 -0.47 1.48 -7.23 0.16 -2.87 120.40 110.57 2k4a s VAL 86 Ca 0.30 -0.01 -0.13 0.00 -1.81 0.00 0.00 61.98 60.32 2k4a s VAL 86 Cb -0.13 -0.57 0.09 0.00 0.56 0.00 0.00 36.38 36.33 2k4a s VAL 86 CO 0.21 0.25 0.37 -0.32 -0.31 0.00 0.00 175.10 175.31 2k4a s MET 87 N 1.47 2.85 -0.17 4.82 1.75 0.32 0.43 119.30 130.76 2k4a s MET 87 Ca -0.02 -1.47 -0.08 0.00 -1.25 0.00 0.00 55.69 52.87 2k4a s MET 87 Cb -0.13 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.44 2k4a s MET 87 CO -0.03 -1.07 0.09 0.00 -0.65 0.00 0.00 175.02 173.35 2k4a s ALA 88 N 1.56 3.54 -0.29 4.11 0.00 -0.99 -0.33 121.76 129.36 2k4a s ALA 88 Ca 0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2k4a s ALA 88 Cb -0.25 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2k4a s ALA 88 CO 0.04 0.25 0.17 0.54 0.00 0.00 0.00 175.76 176.77 2k4a s VAL 89 N 0.11 4.99 -0.04 0.00 0.11 0.19 0.18 120.40 125.95 2k4a s VAL 89 Ca 0.07 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2k4a s VAL 89 Cb -0.12 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 2k4a s VAL 89 CO 0.00 0.19 -0.04 -0.47 -3.33 0.00 0.00 175.10 171.45 2k4a s TYR 90 N 1.70 2.99 0.52 1.54 5.04 0.30 -2.38 117.35 127.06 2k4a s TYR 90 Ca 0.06 0.05 -0.08 0.00 -2.44 0.00 0.00 57.07 54.66 2k4a s TYR 90 Cb -0.16 -1.69 -0.04 0.00 0.35 0.00 0.00 41.96 40.42 2k4a s TYR 90 CO 0.09 0.39 0.87 0.34 -1.34 0.00 0.00 175.55 175.89 2k4a s ASP 91 N -1.14 6.27 -0.33 4.32 2.15 -0.39 0.10 116.67 127.66 2k4a s ASP 91 Ca 0.15 1.11 0.17 0.00 0.43 0.00 0.00 52.55 54.41 2k4a s ASP 91 Cb -0.11 -2.33 0.45 0.00 -0.30 0.00 0.00 42.92 40.63 2k4a s ASP 91 CO 0.05 -0.66 1.05 0.33 -0.17 0.00 0.00 175.17 175.77 2k4a n PHE 92 N -2.35 0.42 -0.39 -5.34 7.35 0.57 -4.53 117.46 113.19 2k4a n PHE 92 Ca 0.02 -2.55 0.32 0.00 -0.76 0.00 0.00 57.45 54.48 2k4a n PHE 92 Cb 0.55 0.04 0.59 0.00 0.35 0.00 0.00 39.48 41.01 2k4a n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k4a h ASP 93 N 2.74 0.34 -0.38 -2.13 2.03 -1.89 -3.43 116.42 113.70 2k4a h ASP 93 Ca -0.14 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2k4a h ASP 93 Cb 1.21 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2k4a h ASP 93 CO 0.35 -0.20 0.00 0.54 -1.03 0.00 0.00 179.24 178.91 2k4a n ARG 94 N -4.87 0.00 0.04 4.15 1.74 -1.26 -4.89 116.66 111.56 2k4a n ARG 94 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2k4a n ARG 94 Cb 1.26 -2.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 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 -3.24 -1.84 -3.33 -1.55 7.35 -1.26 -5.14 117.46 108.45 2k4a n PHE 95 Ca 0.00 0.23 -0.21 0.00 -0.76 0.00 0.00 57.45 56.71 2k4a n PHE 95 Cb 0.47 0.91 0.02 0.00 0.35 0.00 0.00 39.48 41.23 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k4a s SER 96 N -3.39 5.07 -1.12 -2.13 0.01 -1.26 -4.98 113.70 105.89 2k4a s SER 96 Ca 0.00 -0.86 -0.22 0.00 1.31 0.00 0.00 55.95 56.18 2k4a s SER 96 Cb 0.00 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.18 2k4a s SER 96 CO 0.00 -1.08 1.92 0.29 0.41 0.00 0.00 173.24 174.78 2k4a n LYS 97 N -1.95 1.82 -1.01 12.44 4.76 -1.26 -4.85 118.16 128.11 2k4a n LYS 97 Ca 0.08 -2.45 -0.34 0.00 -2.87 0.00 0.00 58.31 52.74 2k4a n LYS 97 Cb 0.62 -3.52 -0.02 0.00 -1.84 0.00 0.00 35.03 30.28 2k4a n LYS 97 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2k4a n HIS 98 N 11.94 -0.78 -4.25 2.13 8.25 -1.26 -4.97 115.22 126.28 2k4a n HIS 98 Ca 0.47 0.63 -0.26 0.00 -0.26 0.00 0.00 57.72 58.29 2k4a n HIS 98 Cb 0.45 -1.40 -0.08 0.00 1.12 0.00 0.00 29.99 30.08 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 -0.74 4.32 -0.77 0.41 -1.08 -1.26 -4.88 116.67 112.67 2k4a s ASP 99 Ca 0.46 -1.18 -0.18 0.00 -0.52 0.00 0.00 52.55 51.13 2k4a s ASP 99 Cb -0.61 -0.35 0.14 0.00 -1.46 0.00 0.00 42.92 40.64 2k4a s ASP 99 CO 0.43 -0.58 0.87 -0.63 0.52 0.00 0.00 175.17 175.78 2k4a s ILE 100 N -2.65 4.98 0.35 4.11 1.01 -1.26 -1.26 121.20 126.48 2k4a s ILE 100 Ca 0.37 -1.55 0.14 0.00 0.00 0.00 0.00 60.65 59.62 2k4a s ILE 100 Cb 0.05 -4.59 0.35 0.00 0.01 0.00 0.00 42.46 38.28 2k4a s ILE 100 CO 0.20 -1.24 1.73 0.16 0.00 0.00 0.00 174.94 175.80 2k4a h ILE 101 N 5.60 0.49 -1.53 2.92 -2.65 -1.75 -3.19 117.51 117.41 2k4a h ILE 101 Ca -0.04 -0.16 0.34 0.00 1.03 0.00 0.00 64.86 66.03 2k4a h ILE 101 Cb 1.05 -0.02 -0.11 0.00 -2.05 0.00 0.00 36.82 35.69 2k4a h ILE 101 CO 1.02 0.09 0.88 -0.83 0.03 0.00 0.00 178.15 179.33 2k4a s GLY 102 N -3.95 -0.36 -0.30 0.16 0.00 -1.20 -1.98 107.32 99.68 2k4a s GLY 102 Ca -0.10 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.09 2k4a s GLY 102 CO 0.80 1.42 0.80 -1.83 0.00 0.00 0.00 173.10 174.29 2k4a s GLU 103 N -2.26 0.45 0.27 2.90 -1.05 -0.10 0.55 118.70 119.46 2k4a s GLU 103 Ca 0.18 1.11 0.05 0.00 -0.15 0.00 0.00 54.97 56.15 2k4a s GLU 103 Cb 0.04 0.66 -0.03 0.00 -0.44 0.00 0.00 34.13 34.37 2k4a s GLU 103 CO -0.04 -0.18 0.40 -0.59 0.95 0.00 0.00 175.26 175.81 2k4a s PHE 104 N 2.71 3.41 0.16 4.83 -0.12 0.55 -4.69 117.98 124.83 2k4a s PHE 104 Ca -0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 56.93 56.63 2k4a s PHE 104 Cb -0.10 -1.68 0.06 0.00 -0.63 0.00 0.00 43.02 40.68 2k4a s PHE 104 CO -0.18 0.33 0.57 -1.59 -0.05 0.00 0.00 175.22 174.30 2k4a s LYS 105 N -4.05 1.26 -0.16 1.99 0.00 -1.26 0.12 119.74 117.64 2k4a s LYS 105 Ca 0.36 -0.53 -0.14 0.00 0.00 0.00 0.00 55.97 55.67 2k4a s LYS 105 Cb -0.09 0.57 0.04 0.00 0.00 0.00 0.00 37.83 38.35 2k4a s LYS 105 CO 0.30 -0.54 0.41 0.54 0.00 0.00 0.00 175.35 176.06 2k4a s VAL 106 N -3.76 -0.00 -0.65 1.79 0.11 -1.14 -5.03 120.40 111.71 2k4a s VAL 106 Ca 0.02 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 2k4a s VAL 106 Cb -0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2k4a s VAL 106 CO -0.12 0.01 2.03 -2.16 -3.33 0.00 0.00 175.10 171.53 2k4a s PRO 107 N 0.39 2.43 0.36 1.54 0.04 -1.26 -3.68 135.00 134.82 2k4a s PRO 107 Ca -0.01 0.61 0.17 0.00 0.04 0.00 0.00 61.00 61.80 2k4a s PRO 107 Cb -0.04 -4.58 1.12 0.00 0.04 0.00 0.00 34.50 31.04 2k4a s PRO 107 CO -0.01 -3.09 1.68 0.52 0.04 0.00 0.00 177.00 176.14 2k4a h MET 108 N 15.14 0.32 -0.59 4.56 2.86 -1.76 0.46 114.93 135.92 2k4a h MET 108 Ca -0.17 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.62 2k4a h MET 108 Cb 1.15 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2k4a h MET 108 CO 1.19 0.21 0.54 -0.97 1.06 0.00 0.00 176.91 178.95 2k4a h ASN 109 N 0.33 0.00 0.83 1.22 -1.24 -0.83 0.51 115.58 116.39 2k4a h ASN 109 Ca 0.72 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.66 2k4a h ASN 109 Cb 1.73 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.77 2k4a h ASN 109 CO -0.52 0.00 -1.22 0.41 -1.29 0.00 0.00 177.43 174.81 2k4a n THR 110 N -3.86 0.83 -2.36 -3.57 -1.04 0.16 -4.71 114.28 99.73 2k4a n THR 110 Ca 0.11 -0.61 -0.36 0.00 -2.04 0.00 0.00 64.05 61.16 2k4a n THR 110 Cb 0.77 -0.48 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 2k4a n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k4a s VAL 111 N -3.19 3.78 -0.88 12.58 1.01 0.18 -4.90 120.40 128.98 2k4a s VAL 111 Ca -0.02 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 2k4a s VAL 111 Cb 0.09 -4.74 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 2k4a s VAL 111 CO 0.80 -1.56 2.07 1.51 0.00 0.00 0.00 175.10 177.92 2k4a s ASP 112 N 5.86 4.81 -0.34 3.32 -4.77 -1.26 -4.82 116.67 119.46 2k4a s ASP 112 Ca 0.57 -0.51 -0.02 0.00 -3.30 0.00 0.00 52.55 49.29 2k4a s ASP 112 Cb -0.01 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.23 2k4a s ASP 112 CO -0.01 -3.06 1.44 2.22 0.70 0.00 0.00 175.17 176.47 2k4a n PHE 113 N 15.23 0.50 -0.07 2.11 -1.74 -1.26 -4.54 117.46 127.69 2k4a n PHE 113 Ca 0.42 -1.02 -0.10 0.00 -0.56 0.00 0.00 57.45 56.19 2k4a n PHE 113 Cb 0.46 -1.01 -0.03 0.00 1.52 0.00 0.00 39.48 40.42 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k4a h GLY 114 N 8.84 0.37 0.00 4.97 0.00 -2.00 -3.45 103.07 111.80 2k4a h GLY 114 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k4a h GLY 114 CO 1.09 0.17 0.00 1.42 0.00 0.00 0.00 176.54 179.23 2k4a n HIS 115 N -4.83 -1.05 -3.74 5.60 8.25 -1.26 -5.12 115.22 113.07 2k4a n HIS 115 Ca -0.03 0.13 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 2k4a n HIS 115 Cb 0.10 0.67 -0.11 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.17 -0.01 -0.57 1.59 -7.23 -1.26 -4.33 120.40 107.41 2k4a s VAL 116 Ca 0.00 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.07 2k4a s VAL 116 Cb 0.00 -0.46 0.14 0.00 0.56 0.00 0.00 36.38 36.62 2k4a s VAL 116 CO 0.00 0.02 0.51 -0.89 -0.31 0.00 0.00 175.10 174.43 2k4a s THR 117 N 0.62 5.08 -0.16 5.32 2.01 0.47 -4.93 115.64 124.05 2k4a s THR 117 Ca -0.04 -1.71 -0.02 0.00 0.31 0.00 0.00 61.69 60.24 2k4a s THR 117 Cb -0.05 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2k4a s THR 117 CO -0.04 -0.88 -0.09 -1.61 -0.69 0.00 0.00 174.62 171.31 2k4a s GLU 118 N 1.33 3.42 0.06 4.92 2.02 -1.26 0.95 118.70 130.14 2k4a s GLU 118 Ca 0.06 -0.64 -0.28 0.00 0.02 0.00 0.00 54.97 54.13 2k4a s GLU 118 Cb -0.26 -2.79 0.09 0.00 0.10 0.00 0.00 34.13 31.27 2k4a s GLU 118 CO 0.01 0.09 1.06 -1.83 0.02 0.00 0.00 175.26 174.61 2k4a s GLU 119 N 0.70 0.86 -0.40 1.61 -1.05 -0.96 -5.02 118.70 114.45 2k4a s GLU 119 Ca -0.04 -0.46 -0.17 0.00 -0.15 0.00 0.00 54.97 54.15 2k4a s GLU 119 Cb -0.15 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2k4a s GLU 119 CO 0.02 -0.39 0.46 -1.58 0.95 0.00 0.00 175.26 174.71 2k4a s TRP 120 N -2.96 3.17 -0.12 4.83 0.23 -1.26 -2.75 118.94 120.07 2k4a s TRP 120 Ca 0.12 -0.21 -0.24 0.00 -2.03 0.00 0.00 56.10 53.75 2k4a s TRP 120 Cb 0.01 -2.91 -0.03 0.00 0.03 0.00 0.00 33.47 30.57 2k4a s TRP 120 CO -0.01 -0.65 0.73 0.50 0.96 0.00 0.00 176.95 178.47 2k4a s ARG 121 N 2.22 4.35 0.02 4.98 6.06 0.24 -4.93 118.95 131.90 2k4a s ARG 121 Ca 0.14 0.87 -0.30 0.00 -2.50 0.00 0.00 55.73 53.94 2k4a s ARG 121 Cb -0.16 -3.51 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 2k4a s ARG 121 CO 0.14 -0.11 1.12 0.16 -2.50 0.00 0.00 175.30 174.10 2k4a s ASP 122 N 0.99 7.18 -0.26 -2.12 -4.77 -1.26 0.11 116.67 116.55 2k4a s ASP 122 Ca 0.36 1.85 -0.16 0.00 -3.30 0.00 0.00 52.55 51.31 2k4a s ASP 122 Cb -0.17 -2.57 -0.03 0.00 -1.09 0.00 0.00 42.92 39.05 2k4a s ASP 122 CO 0.15 -0.41 0.41 -0.76 0.70 0.00 0.00 175.17 175.27 2k4a s LEU 123 N 1.19 4.06 -0.05 2.11 1.43 0.92 -4.82 118.68 123.52 2k4a s LEU 123 Ca 0.56 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2k4a s LEU 123 Cb -0.26 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2k4a s LEU 123 CO 0.28 -0.20 -0.06 0.00 0.23 0.00 0.00 176.35 176.60 2k4a s GLN 124 N 2.03 2.72 1.03 1.70 -2.07 -1.26 0.03 119.66 123.85 2k4a s GLN 124 Ca 0.17 -0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 53.02 2k4a s GLN 124 Cb -0.16 -2.59 0.21 0.00 -1.09 0.00 0.00 33.01 29.39 2k4a s GLN 124 CO 0.09 0.65 1.08 -1.12 -1.32 0.00 0.00 175.29 174.68 2k4a s SER 125 N -0.99 2.01 -0.06 12.60 0.01 -1.26 -0.92 113.70 125.10 2k4a s SER 125 Ca 0.14 1.80 0.04 0.00 1.31 0.00 0.00 55.95 59.24 2k4a s SER 125 Cb -0.11 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2k4a s SER 125 CO 0.03 -3.60 -0.17 0.00 0.41 0.00 0.00 173.24 169.90 2k4a s ALA 126 N -2.58 1.59 -0.18 1.44 0.00 -0.84 -4.29 121.76 116.90 2k4a s ALA 126 Ca 0.67 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2k4a s ALA 126 Cb -0.23 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2k4a s ALA 126 CO 0.61 0.25 -0.19 -1.21 0.00 0.00 0.00 175.76 175.21 2k4a s GLU 127 N 0.23 2.98 0.00 0.00 2.02 -1.26 -4.69 118.70 117.97 2k4a s GLU 127 Ca -0.09 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2k4a s GLU 127 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2k4a s GLU 127 CO 0.04 -0.22 0.34 1.63 0.02 0.00 0.00 175.26 177.07