#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 0.41 0.00 3.49 0.00 -1.26 -4.65 119.74 117.74 2k4a s LYS 2 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 55.97 57.10 2k4a s LYS 2 Cb 0.00 0.36 0.12 0.00 0.00 0.00 0.00 37.83 38.31 2k4a s LYS 2 CO 0.00 -0.34 0.96 -0.11 0.00 0.00 0.00 175.35 175.86 2k4a n LEU 3 N 5.41 0.16 0.00 2.77 7.94 -0.96 -4.16 117.00 128.16 2k4a n LEU 3 Ca -0.08 -1.39 0.00 0.00 -1.11 0.00 0.00 56.01 53.43 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 0.00 0.60 0.00 0.61 -1.11 0.00 0.00 177.39 177.49 2k4a n GLY 4 N 0.14 3.03 3.20 -3.96 0.00 -1.24 -4.49 105.19 101.87 2k4a n GLY 4 Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.75 -0.54 1.61 1.02 -1.23 -1.38 119.74 119.97 2k4a s LYS 5 Ca 0.00 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.37 2k4a s LYS 5 Cb 0.00 0.31 0.24 0.00 -0.52 0.00 0.00 37.83 37.86 2k4a s LYS 5 CO 0.00 -0.23 0.61 -0.11 -0.92 0.00 0.00 175.35 174.71 2k4a n LEU 6 N 0.49 2.06 -4.60 3.17 7.94 0.43 -2.64 117.00 123.86 2k4a n LEU 6 Ca -0.18 -5.07 -0.52 0.00 -1.11 0.00 0.00 56.01 49.13 2k4a n LEU 6 Cb 0.60 -0.10 -0.06 0.00 0.53 0.00 0.00 43.42 44.39 2k4a n LEU 6 CO 0.22 2.02 0.93 0.00 -1.11 0.00 0.00 177.39 179.45 2k4a n GLN 7 N 1.30 1.17 -4.12 1.96 0.00 -1.14 -3.71 117.38 112.85 2k4a n GLN 7 Ca 0.26 0.42 -0.11 0.00 0.00 0.00 0.00 57.00 57.57 2k4a n GLN 7 Cb 0.45 -2.07 -0.08 0.00 0.00 0.00 0.00 30.24 28.54 2k4a n GLN 7 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 2k4a s TYR 8 N 0.66 0.83 -0.33 2.61 -0.85 -0.09 0.56 117.35 120.74 2k4a s TYR 8 Ca 0.85 -1.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.28 2k4a s TYR 8 Cb -0.95 -0.25 0.11 0.00 0.38 0.00 0.00 41.96 41.24 2k4a s TYR 8 CO 0.48 -0.78 0.14 -1.54 -1.52 0.00 0.00 175.55 172.32 2k4a s SER 9 N -3.10 3.74 0.13 -0.18 1.04 0.31 -1.23 113.70 114.41 2k4a s SER 9 Ca 0.32 -1.74 0.02 0.00 0.48 0.00 0.00 55.95 55.03 2k4a s SER 9 Cb 0.04 -0.70 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 2k4a s SER 9 CO 0.10 -0.39 0.26 -0.76 0.98 0.00 0.00 173.24 173.44 2k4a s LEU 10 N 1.52 4.33 0.00 2.42 1.43 0.27 -2.37 118.68 126.28 2k4a s LEU 10 Ca 0.12 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2k4a s LEU 10 Cb -0.19 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.14 2k4a s LEU 10 CO -0.22 0.08 0.11 -0.90 0.23 0.00 0.00 176.35 175.64 2k4a n ASP 11 N -0.38 -0.31 -4.01 2.29 5.75 0.16 0.26 116.55 120.31 2k4a n ASP 11 Ca -0.07 -1.27 -0.08 0.00 -0.01 0.00 0.00 54.79 53.36 2k4a n ASP 11 Cb 0.53 0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 41.05 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 -6.63 0.36 -0.09 2.11 1.13 -1.26 0.18 117.35 113.15 2k4a s TYR 12 Ca 0.03 -0.78 0.03 0.00 -1.41 0.00 0.00 57.07 54.95 2k4a s TYR 12 Cb -0.01 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 2k4a s TYR 12 CO 0.02 -0.34 -0.20 0.34 -2.51 0.00 0.00 175.55 172.87 2k4a s ASP 13 N -2.36 2.62 -0.17 -0.18 -1.08 0.31 -4.82 116.67 110.99 2k4a s ASP 13 Ca -0.02 -0.47 0.10 0.00 -0.52 0.00 0.00 52.55 51.65 2k4a s ASP 13 Cb 0.01 -1.18 -0.23 0.00 -1.46 0.00 0.00 42.92 40.07 2k4a s ASP 13 CO -0.06 0.12 0.17 2.22 0.52 0.00 0.00 175.17 178.14 2k4a n PHE 14 N 3.59 0.39 -0.36 -5.34 1.16 -1.26 -0.19 117.46 115.45 2k4a n PHE 14 Ca -0.20 0.12 0.02 0.00 -1.87 0.00 0.00 57.45 55.51 2k4a n PHE 14 Cb 0.53 -1.06 0.16 0.00 -1.61 0.00 0.00 39.48 37.49 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 0.01 1.13 -0.12 3.97 3.07 -1.96 -1.80 115.11 119.41 2k4a h GLN 15 Ca -0.48 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.19 2k4a h GLN 15 Cb 2.09 -0.26 0.00 0.00 0.08 0.00 0.00 27.48 29.39 2k4a h GLN 15 CO 0.02 0.75 0.00 0.27 0.09 0.00 0.00 178.83 179.96 2k4a n ASN 16 N -4.51 2.53 -3.31 0.06 0.23 -1.26 -5.03 115.26 103.97 2k4a n ASN 16 Ca 0.15 -1.73 -0.23 0.00 -0.53 0.00 0.00 54.58 52.24 2k4a n ASN 16 Cb 0.16 -0.07 0.02 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.90 -6.41 -3.48 0.53 2.85 -0.68 -4.95 115.26 104.02 2k4a n ASN 17 Ca 0.11 -0.08 -0.15 0.00 -0.11 0.00 0.00 54.58 54.35 2k4a n ASN 17 Cb 0.42 -3.22 -0.04 0.00 1.24 0.00 0.00 39.78 38.17 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 -2.99 1.13 -0.05 1.20 1.03 0.74 -3.68 119.66 117.02 2k4a s GLN 18 Ca 0.23 -0.04 -0.14 0.00 0.04 0.00 0.00 55.36 55.45 2k4a s GLN 18 Cb -0.04 0.53 -0.05 0.00 0.03 0.00 0.00 33.01 33.48 2k4a s GLN 18 CO 0.83 -0.42 0.35 -0.51 -2.54 0.00 0.00 175.29 173.01 2k4a s LEU 19 N -1.83 4.41 -0.60 2.60 1.43 -0.01 0.11 118.68 124.79 2k4a s LEU 19 Ca -0.06 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 2k4a s LEU 19 Cb -0.00 -2.48 0.15 0.00 0.03 0.00 0.00 46.19 43.88 2k4a s LEU 19 CO 0.00 0.28 0.57 -0.22 0.23 0.00 0.00 176.35 177.20 2k4a s LEU 20 N -0.68 6.24 -0.50 1.79 1.98 0.47 -0.94 118.68 127.04 2k4a s LEU 20 Ca 0.21 -1.94 -0.19 0.00 -2.89 0.00 0.00 54.13 49.32 2k4a s LEU 20 Cb -0.15 -2.22 0.06 0.00 0.66 0.00 0.00 46.19 44.54 2k4a s LEU 20 CO 0.10 -0.82 0.62 -0.69 -1.89 0.00 0.00 176.35 173.67 2k4a s VAL 21 N 1.40 4.88 -0.44 1.68 1.01 -0.77 0.38 120.40 128.55 2k4a s VAL 21 Ca 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2k4a s VAL 21 Cb -0.26 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 31.95 2k4a s VAL 21 CO 0.01 -0.79 0.21 -0.83 0.00 0.00 0.00 175.10 173.70 2k4a s GLY 22 N 2.67 2.11 0.13 4.51 0.00 -1.00 0.78 107.32 116.52 2k4a s GLY 22 Ca 0.15 -2.74 -0.20 0.00 0.00 0.00 0.00 44.72 41.93 2k4a s GLY 22 CO 0.12 1.02 0.64 -0.26 0.00 0.00 0.00 173.10 174.62 2k4a s ILE 23 N 0.73 4.64 -0.01 0.90 -0.00 -1.15 0.11 121.20 126.41 2k4a s ILE 23 Ca 0.11 1.29 -0.01 0.00 -0.00 0.00 0.00 60.65 62.05 2k4a s ILE 23 Cb -0.22 -3.92 -0.00 0.00 -0.00 0.00 0.00 42.46 38.32 2k4a s ILE 23 CO -0.05 0.44 0.10 0.40 -0.00 0.00 0.00 174.94 175.83 2k4a h ILE 24 N 3.24 0.00 -2.25 8.37 2.04 -0.18 -2.99 117.51 125.74 2k4a h ILE 24 Ca -0.49 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.33 2k4a h ILE 24 Cb 1.21 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.13 2k4a h ILE 24 CO 0.65 0.00 0.49 0.00 0.00 0.00 0.00 178.15 179.29 2k4a s GLN 25 N -1.31 0.81 0.40 2.37 -2.07 -1.18 -1.86 119.66 116.82 2k4a s GLN 25 Ca -0.00 -0.28 0.08 0.00 -1.82 0.00 0.00 55.36 53.33 2k4a s GLN 25 Cb 0.00 0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 32.26 2k4a s GLN 25 CO 0.01 -0.35 0.29 0.00 -1.32 0.00 0.00 175.29 173.92 2k4a s ALA 26 N -3.02 3.86 0.06 2.60 0.00 -1.01 -2.88 121.76 121.37 2k4a s ALA 26 Ca 0.05 -1.91 -0.27 0.00 0.00 0.00 0.00 51.96 49.83 2k4a s ALA 26 Cb -0.01 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.35 2k4a s ALA 26 CO -0.08 -0.16 0.82 0.00 0.00 0.00 0.00 175.76 176.34 2k4a s ALA 27 N -2.48 -1.73 -1.30 0.00 0.00 -1.08 -3.16 121.76 112.00 2k4a s ALA 27 Ca 0.44 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2k4a s ALA 27 Cb -0.02 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2k4a s ALA 27 CO 0.26 -0.76 0.00 0.39 0.00 0.00 0.00 175.76 175.65 2k4a n GLU 28 N -0.31 -1.10 -2.55 0.00 -0.58 -0.82 -3.51 120.64 111.77 2k4a n GLU 28 Ca -0.10 0.78 -0.40 0.00 -0.42 0.00 0.00 57.16 57.01 2k4a n GLU 28 Cb 0.62 -5.02 -0.05 0.00 -0.57 0.00 0.00 31.44 26.43 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k4a s LEU 29 N -3.89 4.57 0.80 -4.62 1.43 -1.20 -4.06 118.68 111.70 2k4a s LEU 29 Ca 0.00 2.15 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 2k4a s LEU 29 Cb 0.00 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.62 2k4a s LEU 29 CO 0.00 -0.08 0.70 -2.65 0.23 0.00 0.00 176.35 174.55 2k4a n PRO 30 N 1.50 0.13 -3.28 1.29 -0.02 -1.26 -4.83 135.00 128.52 2k4a n PRO 30 Ca -0.01 0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 2k4a n PRO 30 Cb 0.46 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.09 3.57 0.00 3.55 0.00 -1.26 -4.55 121.76 120.98 2k4a s ALA 31 Ca 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2k4a s ALA 31 Cb -0.30 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2k4a s ALA 31 CO 0.58 0.33 0.00 -0.11 0.00 0.00 0.00 175.76 176.56 2k4a n LEU 32 N 2.08 1.36 -4.80 0.00 -0.00 0.10 -4.88 117.00 110.87 2k4a n LEU 32 Ca -0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.58 2k4a n LEU 32 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.90 2k4a n LEU 32 CO 0.42 0.23 0.72 -0.62 -0.00 0.00 0.00 177.39 178.13 2k4a s ASP 33 N -3.32 6.28 -0.57 1.96 2.15 0.45 -4.89 116.67 118.74 2k4a s ASP 33 Ca 0.00 1.91 -0.21 0.00 0.43 0.00 0.00 52.55 54.68 2k4a s ASP 33 Cb 0.00 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.87 2k4a s ASP 33 CO 0.00 -0.83 1.82 0.80 -0.17 0.00 0.00 175.17 176.80 2k4a n MET 34 N -1.10 1.15 0.00 4.34 0.00 -1.26 -3.41 117.12 116.83 2k4a n MET 34 Ca 0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 57.70 56.25 2k4a n MET 34 Cb 0.53 -2.72 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 4.53 0.00 4.29 -5.12 0.00 -1.26 -4.97 105.19 102.65 2k4a n GLY 35 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.43 3.04 -0.02 0.00 -1.22 -4.87 105.19 101.69 2k4a n GLY 36 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.20 0.00 -3.92 2.61 -2.24 -1.24 -4.85 114.28 100.43 2k4a n THR 37 Ca 0.09 -1.14 -0.09 0.00 -2.27 0.00 0.00 64.05 60.64 2k4a n THR 37 Cb 0.47 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.80 0.02 -0.81 3.42 0.01 -1.26 0.17 113.70 112.45 2k4a s SER 38 Ca 0.18 -0.96 0.02 0.00 1.31 0.00 0.00 55.95 56.50 2k4a s SER 38 Cb -0.03 0.71 0.29 0.00 0.21 0.00 0.00 66.02 67.21 2k4a s SER 38 CO 0.13 -1.37 1.14 0.47 0.41 0.00 0.00 173.24 174.03 2k4a n ASP 39 N -0.82 5.16 -4.68 2.44 9.92 -1.26 0.15 116.55 127.47 2k4a n ASP 39 Ca -0.04 -3.51 -0.42 0.00 -0.53 0.00 0.00 54.79 50.29 2k4a n ASP 39 Cb 0.60 -0.89 -0.03 0.00 -0.64 0.00 0.00 41.12 40.16 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 -3.00 4.29 -0.05 -0.24 0.04 -1.25 0.17 135.00 134.96 2k4a s PRO 40 Ca 0.39 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2k4a s PRO 40 Cb 0.15 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 31.06 2k4a s PRO 40 CO -0.01 -0.58 -0.10 1.52 0.04 0.00 0.00 177.00 177.87 2k4a s TYR 41 N 2.68 1.23 0.02 0.56 -0.85 0.34 -3.94 117.35 117.39 2k4a s TYR 41 Ca 0.60 -0.41 -0.28 0.00 -0.52 0.00 0.00 57.07 56.45 2k4a s TYR 41 Cb -0.27 -0.92 -0.04 0.00 0.38 0.00 0.00 41.96 41.10 2k4a s TYR 41 CO 0.23 -0.22 0.90 0.14 -1.52 0.00 0.00 175.55 175.08 2k4a s VAL 42 N 0.62 4.80 -0.23 -3.49 -7.23 -1.26 0.15 120.40 113.75 2k4a s VAL 42 Ca -0.12 1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 61.93 2k4a s VAL 42 Cb -0.14 -4.25 0.01 0.00 0.56 0.00 0.00 36.38 32.55 2k4a s VAL 42 CO 0.02 0.24 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.41 2k4a s LYS 43 N 0.61 3.16 0.04 4.82 -2.85 0.35 -2.41 119.74 123.46 2k4a s LYS 43 Ca 0.47 -0.77 -0.30 0.00 -1.00 0.00 0.00 55.97 54.37 2k4a s LYS 43 Cb -0.21 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 32.53 2k4a s LYS 43 CO 0.26 -0.28 1.07 0.14 0.10 0.00 0.00 175.35 176.64 2k4a s VAL 44 N 1.42 4.50 0.14 1.79 -7.23 -0.93 -1.81 120.40 118.27 2k4a s VAL 44 Ca 0.04 1.82 0.02 0.00 -1.81 0.00 0.00 61.98 62.05 2k4a s VAL 44 Cb -0.15 -4.16 -0.01 0.00 0.56 0.00 0.00 36.38 32.62 2k4a s VAL 44 CO -0.04 0.15 0.08 0.49 -0.31 0.00 0.00 175.10 175.47 2k4a n PHE 45 N 3.79 -0.12 -3.50 2.82 3.01 0.80 -3.87 117.46 120.39 2k4a n PHE 45 Ca 0.07 -1.03 -0.11 0.00 1.01 0.00 0.00 57.45 57.39 2k4a n PHE 45 Cb 0.49 0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.98 2k4a n PHE 45 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2k4a s LEU 46 N 0.00 -0.46 0.00 4.37 1.98 -1.26 -3.39 118.68 119.92 2k4a s LEU 46 Ca 0.11 0.20 -0.10 0.00 -2.89 0.00 0.00 54.13 51.45 2k4a s LEU 46 Cb 0.01 2.22 0.16 0.00 0.66 0.00 0.00 46.19 49.23 2k4a s LEU 46 CO 0.08 -0.65 0.37 0.00 -1.89 0.00 0.00 176.35 174.26 2k4a n LEU 47 N 0.10 0.00 -0.04 -0.68 -0.00 -1.21 -4.15 117.00 111.01 2k4a n LEU 47 Ca -0.13 -0.37 0.02 0.00 -0.00 0.00 0.00 56.01 55.53 2k4a n LEU 47 Cb 0.61 -0.41 0.05 0.00 -0.00 0.00 0.00 43.42 43.66 2k4a n LEU 47 CO 0.14 -2.02 0.11 -2.65 -0.00 0.00 0.00 177.39 172.98 2k4a n PRO 48 N -3.54 -0.01 -0.36 1.47 -0.02 -1.26 0.63 135.00 131.91 2k4a n PRO 48 Ca 0.06 0.19 -0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2k4a n PRO 48 Cb 0.25 -0.31 0.02 0.00 -0.02 0.00 0.00 33.50 33.44 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 -3.76 -0.64 -1.59 2.55 2.03 -1.26 -4.76 116.55 109.13 2k4a n ASP 49 Ca 0.04 1.62 -0.09 0.00 0.52 0.00 0.00 54.79 56.87 2k4a n ASP 49 Cb 0.12 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 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 -5.34 -1.53 -1.39 -0.67 4.76 0.20 -4.82 118.16 109.37 2k4a n LYS 50 Ca 0.09 0.53 -0.38 0.00 -2.87 0.00 0.00 58.31 55.67 2k4a n LYS 50 Cb 0.36 -4.81 -0.03 0.00 -1.84 0.00 0.00 35.03 28.71 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 -1.92 3.76 0.00 1.97 5.02 -1.26 -4.77 118.16 120.96 2k4a n LYS 51 Ca -0.10 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 53.87 2k4a n LYS 51 Cb 0.38 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 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 3.30 0.00 -3.15 1.97 2.85 -1.26 -3.85 118.16 118.03 2k4a n LYS 52 Ca 0.76 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 58.06 2k4a n LYS 52 Cb 0.25 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.63 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 -1.96 0.38 -0.02 -1.58 2.20 -1.26 -4.80 119.74 112.71 2k4a s LYS 53 Ca 0.00 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 2k4a s LYS 53 Cb 0.00 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2k4a s LYS 53 CO 0.00 -0.68 -0.02 0.12 -0.36 0.00 0.00 175.35 174.42 2k4a s PHE 54 N 2.89 0.30 -0.27 4.03 2.19 -1.25 -5.05 117.98 120.82 2k4a s PHE 54 Ca 0.17 -0.03 -0.00 0.00 0.33 0.00 0.00 56.93 57.39 2k4a s PHE 54 Cb -0.07 -0.29 0.05 0.00 -1.31 0.00 0.00 43.02 41.39 2k4a s PHE 54 CO -0.23 -0.06 -0.06 -2.00 1.83 0.00 0.00 175.22 174.69 2k4a s GLU 55 N 0.44 2.49 0.77 10.12 2.12 -1.26 -2.19 118.70 131.18 2k4a s GLU 55 Ca -0.04 -1.21 -0.11 0.00 0.36 0.00 0.00 54.97 53.97 2k4a s GLU 55 Cb -0.07 -3.01 0.06 0.00 0.26 0.00 0.00 34.13 31.36 2k4a s GLU 55 CO -0.01 -0.53 1.10 0.95 -0.54 0.00 0.00 175.26 176.23 2k4a s THR 56 N 1.22 3.14 0.24 -1.70 -4.23 -1.01 -4.95 115.64 108.35 2k4a s THR 56 Ca -0.05 0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 60.55 2k4a s THR 56 Cb -0.19 -2.83 -0.11 0.00 1.34 0.00 0.00 72.50 70.71 2k4a s THR 56 CO -0.04 -0.46 1.59 -0.75 -0.54 0.00 0.00 174.62 174.42 2k4a s LYS 57 N -4.74 4.16 0.62 3.99 2.20 -1.26 -4.75 119.74 119.97 2k4a s LYS 57 Ca 0.63 2.50 -0.18 0.00 -0.36 0.00 0.00 55.97 58.55 2k4a s LYS 57 Cb -0.19 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2k4a s LYS 57 CO 0.54 -0.62 1.25 0.54 -0.36 0.00 0.00 175.35 176.71 2k4a s VAL 58 N 0.44 2.31 -0.52 4.02 0.11 -1.26 -4.77 120.40 120.74 2k4a s VAL 58 Ca 0.66 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.94 2k4a s VAL 58 Cb -0.46 -3.07 0.14 0.00 -1.53 0.00 0.00 36.38 31.46 2k4a s VAL 58 CO 0.41 -0.04 0.29 -1.00 -3.33 0.00 0.00 175.10 171.43 2k4a s HIS 59 N -1.50 2.75 -0.25 1.54 0.09 -1.25 -5.03 115.29 111.64 2k4a s HIS 59 Ca 0.80 -2.91 -0.37 0.00 -0.00 0.00 0.00 55.06 52.58 2k4a s HIS 59 Cb -0.34 -2.42 -0.13 0.00 -0.00 0.00 0.00 32.58 29.69 2k4a s HIS 59 CO 0.37 -0.73 1.92 2.89 -0.00 0.00 0.00 174.74 179.19 2k4a n ARG 60 N 3.08 1.40 -2.99 1.40 -4.01 -1.26 -3.78 116.66 110.49 2k4a n ARG 60 Ca 0.09 0.48 -0.00 0.00 -1.04 0.00 0.00 57.85 57.39 2k4a n ARG 60 Cb 0.34 -2.35 0.00 0.00 -3.04 0.00 0.00 32.46 27.41 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 6.58 -1.65 -3.64 2.89 4.76 -0.84 -4.94 118.16 121.32 2k4a n LYS 61 Ca 0.30 1.63 -0.03 0.00 -2.87 0.00 0.00 58.31 57.34 2k4a n LYS 61 Cb 0.20 -2.86 -0.07 0.00 -1.84 0.00 0.00 35.03 30.47 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 -1.27 -0.03 -0.89 -0.18 -1.32 0.12 -4.84 115.64 107.23 2k4a s THR 62 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 2k4a s THR 62 Cb -0.00 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.83 2k4a s THR 62 CO 0.34 0.00 1.03 0.18 -2.21 0.00 0.00 174.62 173.95 2k4a n LEU 63 N 3.93 0.76 -3.39 9.08 4.77 -1.26 -4.34 117.00 126.56 2k4a n LEU 63 Ca -0.19 -0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 55.26 2k4a n LEU 63 Cb 0.58 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2k4a n LEU 63 CO 0.01 0.17 -0.22 -3.20 -1.33 0.00 0.00 177.39 172.82 2k4a n ASN 64 N -1.61 0.79 -4.59 -1.43 5.15 -1.26 -1.93 115.26 110.37 2k4a n ASN 64 Ca 0.04 -2.74 -0.42 0.00 -0.60 0.00 0.00 54.58 50.85 2k4a n ASN 64 Cb 0.36 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 38.94 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 -0.93 3.78 0.05 1.20 0.04 -1.19 -4.93 135.00 133.01 2k4a s PRO 65 Ca 0.34 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 2k4a s PRO 65 Cb 0.09 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 2k4a s PRO 65 CO -0.14 -0.88 0.22 0.14 0.04 0.00 0.00 177.00 176.39 2k4a s VAL 66 N 3.20 5.37 0.00 -0.36 -7.23 -1.26 -2.40 120.40 117.72 2k4a s VAL 66 Ca 0.33 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 2k4a s VAL 66 Cb -0.13 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.21 2k4a s VAL 66 CO 0.17 0.19 0.00 0.33 -0.31 0.00 0.00 175.10 175.49 2k4a n PHE 67 N 0.50 0.00 -2.90 2.82 -0.00 -1.09 -5.03 117.46 111.76 2k4a n PHE 67 Ca -0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.31 2k4a n PHE 67 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 40.03 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 -1.16 -6.29 -4.82 -2.13 5.15 -0.78 -4.99 115.26 100.24 2k4a n ASN 68 Ca 0.00 -0.37 -0.37 0.00 -0.60 0.00 0.00 54.58 53.24 2k4a n ASN 68 Cb 0.00 -4.52 -0.06 0.00 -0.53 0.00 0.00 39.78 34.68 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 -3.69 4.15 -0.47 1.20 2.56 -1.14 -4.91 118.70 116.40 2k4a s GLU 69 Ca 0.23 0.70 -0.16 0.00 0.00 0.00 0.00 54.97 55.73 2k4a s GLU 69 Cb -0.03 -3.01 0.06 0.00 2.00 0.00 0.00 34.13 33.15 2k4a s GLU 69 CO 0.62 0.50 0.44 -1.14 -0.56 0.00 0.00 175.26 175.13 2k4a s GLN 70 N -1.70 3.02 -0.49 4.30 -0.44 -1.26 -2.95 119.66 120.15 2k4a s GLN 70 Ca 0.37 -1.14 -0.22 0.00 -2.50 0.00 0.00 55.36 51.87 2k4a s GLN 70 Cb -0.17 -4.09 0.04 0.00 -1.64 0.00 0.00 33.01 27.15 2k4a s GLN 70 CO 0.20 -1.02 0.76 0.12 0.50 0.00 0.00 175.29 175.84 2k4a s PHE 71 N 1.93 2.97 -0.85 1.67 5.36 0.23 -4.96 117.98 124.33 2k4a s PHE 71 Ca 0.08 -0.10 -0.25 0.00 -0.96 0.00 0.00 56.93 55.70 2k4a s PHE 71 Cb -0.22 -3.67 -0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2k4a s PHE 71 CO 0.09 -1.07 1.70 0.99 -1.46 0.00 0.00 175.22 175.47 2k4a s THR 72 N 3.21 3.59 -1.01 0.12 2.01 -1.26 -1.84 115.64 120.46 2k4a s THR 72 Ca 0.25 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 2k4a s THR 72 Cb -0.14 -4.40 0.02 0.00 0.01 0.00 0.00 72.50 67.98 2k4a s THR 72 CO 0.18 -1.34 1.64 0.12 -0.69 0.00 0.00 174.62 174.54 2k4a s PHE 73 N 7.89 2.30 -0.41 4.92 2.19 -0.12 -4.91 117.98 129.85 2k4a s PHE 73 Ca 0.58 -0.39 -0.28 0.00 0.33 0.00 0.00 56.93 57.17 2k4a s PHE 73 Cb -0.06 -4.48 -0.01 0.00 -1.31 0.00 0.00 43.02 37.16 2k4a s PHE 73 CO 0.03 -1.85 1.72 0.15 1.83 0.00 0.00 175.22 177.11 2k4a s LYS 74 N 5.61 3.25 0.00 10.12 -0.14 -1.25 -0.83 119.74 136.50 2k4a s LYS 74 Ca 0.55 1.14 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 2k4a s LYS 74 Cb -0.02 -4.20 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 2k4a s LYS 74 CO -0.05 -1.97 0.00 0.28 -0.76 0.00 0.00 175.35 172.85 2k4a n VAL 75 N 7.29 0.00 -2.01 3.17 0.31 -1.25 -4.64 118.33 121.20 2k4a n VAL 75 Ca 0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.12 2k4a n VAL 75 Cb 0.48 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 2k4a n VAL 75 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2k4a s PRO 76 N 0.00 4.26 0.38 5.55 0.02 -1.24 -3.71 135.00 140.26 2k4a s PRO 76 Ca 0.00 2.30 0.15 0.00 0.02 0.00 0.00 61.00 63.47 2k4a s PRO 76 Cb 0.00 -3.12 1.02 0.00 0.02 0.00 0.00 34.50 32.42 2k4a s PRO 76 CO 0.00 -0.45 1.79 0.10 -0.33 0.00 0.00 177.00 178.12 2k4a h TYR 77 N 5.35 0.72 -0.53 6.54 -0.00 -1.89 1.03 116.97 128.19 2k4a h TYR 77 Ca -0.45 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.28 2k4a h TYR 77 Cb 1.22 -0.21 -0.03 0.00 0.00 0.00 0.00 36.73 37.71 2k4a h TYR 77 CO 0.61 0.12 0.25 0.77 -0.00 0.00 0.00 178.16 179.91 2k4a h SER 78 N 0.48 0.67 0.44 0.10 0.02 -1.99 -2.76 113.55 110.51 2k4a h SER 78 Ca 0.56 -0.06 -0.31 0.00 -0.84 0.00 0.00 61.79 61.14 2k4a h SER 78 Cb 1.29 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2k4a h SER 78 CO -0.29 0.58 -1.64 -0.08 -1.14 0.00 0.00 176.83 174.26 2k4a h GLU 79 N 0.75 0.15 -1.32 3.45 4.81 -0.27 -3.36 114.58 118.79 2k4a h GLU 79 Ca 0.19 -0.26 0.47 0.00 -0.13 0.00 0.00 59.36 59.63 2k4a h GLU 79 Cb 0.09 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 29.42 2k4a h GLU 79 CO -0.02 0.92 0.83 1.25 -0.73 0.00 0.00 179.01 181.26 2k4a h LEU 80 N 0.04 0.22 -1.24 1.64 6.46 0.11 -0.55 115.31 121.99 2k4a h LEU 80 Ca -0.27 0.17 0.41 0.00 -0.12 0.00 0.00 57.88 58.07 2k4a h LEU 80 Cb 2.00 0.18 -0.14 0.00 -0.73 0.00 0.00 40.66 41.96 2k4a h LEU 80 CO 0.12 -0.28 0.73 1.23 -0.62 0.00 0.00 178.44 179.61 2k4a h GLY 81 N 0.01 1.66 -2.72 3.75 0.00 -1.71 0.68 103.07 104.74 2k4a h GLY 81 Ca 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2k4a h GLY 81 CO -0.51 -0.50 0.00 0.61 0.00 0.00 0.00 176.54 176.13 2k4a n GLY 82 N -1.42 3.06 3.62 4.60 0.00 -0.22 -3.11 105.19 111.72 2k4a n GLY 82 Ca 0.36 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.16 3.94 -0.44 1.61 3.01 0.24 -5.00 119.74 120.93 2k4a s LYS 83 Ca 0.48 -0.37 -0.16 0.00 -1.01 0.00 0.00 55.97 54.90 2k4a s LYS 83 Cb 0.33 -3.18 0.04 0.00 -1.01 0.00 0.00 37.83 34.01 2k4a s LYS 83 CO 0.19 0.27 0.42 0.99 0.51 0.00 0.00 175.35 177.72 2k4a s THR 84 N 0.37 5.14 0.06 2.17 2.01 -1.26 -2.47 115.64 121.66 2k4a s THR 84 Ca 0.02 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.09 2k4a s THR 84 Cb -0.13 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 2k4a s THR 84 CO 0.01 -0.48 1.48 -0.22 -0.69 0.00 0.00 174.62 174.71 2k4a s LEU 85 N 1.96 4.35 -0.02 4.42 0.20 0.67 -3.31 118.68 126.94 2k4a s LEU 85 Ca 0.09 2.30 -0.00 0.00 0.69 0.00 0.00 54.13 57.20 2k4a s LEU 85 Cb -0.20 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.02 2k4a s LEU 85 CO 0.11 -0.76 0.03 0.68 -0.29 0.00 0.00 176.35 176.12 2k4a s VAL 86 N 2.09 -0.02 -0.01 1.68 -7.23 -1.22 0.58 120.40 116.26 2k4a s VAL 86 Ca 0.67 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 2k4a s VAL 86 Cb -0.36 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.48 2k4a s VAL 86 CO 0.29 0.11 0.02 -0.32 -0.31 0.00 0.00 175.10 174.89 2k4a s MET 87 N 1.21 -0.01 0.08 4.82 0.00 0.11 -0.14 119.30 125.36 2k4a s MET 87 Ca -0.07 0.12 0.09 0.00 0.00 0.00 0.00 55.69 55.83 2k4a s MET 87 Cb -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 34.83 34.48 2k4a s MET 87 CO -0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 175.02 174.63 2k4a s ALA 88 N 0.72 2.13 -0.36 4.11 0.00 -0.75 0.42 121.76 128.03 2k4a s ALA 88 Ca -0.06 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 2k4a s ALA 88 Cb -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2k4a s ALA 88 CO -0.02 0.48 0.36 0.54 0.00 0.00 0.00 175.76 177.12 2k4a s VAL 89 N -0.93 5.17 -0.05 0.00 0.11 0.95 0.13 120.40 125.78 2k4a s VAL 89 Ca 0.11 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2k4a s VAL 89 Cb -0.10 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 2k4a s VAL 89 CO 0.04 -0.15 0.14 -0.47 -3.33 0.00 0.00 175.10 171.33 2k4a s TYR 90 N 1.99 3.50 0.34 1.54 5.04 0.39 -3.37 117.35 126.78 2k4a s TYR 90 Ca 0.11 0.39 -0.10 0.00 -2.44 0.00 0.00 57.07 55.03 2k4a s TYR 90 Cb -0.17 -1.85 -0.07 0.00 0.35 0.00 0.00 41.96 40.22 2k4a s TYR 90 CO 0.12 0.66 0.68 0.34 -1.34 0.00 0.00 175.55 176.00 2k4a s ASP 91 N -1.51 6.56 -0.39 4.32 2.15 -1.20 0.13 116.67 126.72 2k4a s ASP 91 Ca 0.21 1.02 0.06 0.00 0.43 0.00 0.00 52.55 54.26 2k4a s ASP 91 Cb -0.12 -2.27 0.43 0.00 -0.30 0.00 0.00 42.92 40.66 2k4a s ASP 91 CO 0.12 -0.27 1.13 0.33 -0.17 0.00 0.00 175.17 176.31 2k4a n PHE 92 N -0.88 3.22 -0.46 -5.34 7.35 0.13 -4.68 117.46 116.80 2k4a n PHE 92 Ca 0.01 -2.85 0.39 0.00 -0.76 0.00 0.00 57.45 54.24 2k4a n PHE 92 Cb 0.54 -0.16 0.67 0.00 0.35 0.00 0.00 39.48 40.87 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 2.46 0.22 -1.25 -2.13 3.04 -1.93 -3.44 116.42 113.39 2k4a h ASP 93 Ca 0.32 0.16 -0.28 0.00 -3.24 0.00 0.00 57.03 54.00 2k4a h ASP 93 Cb 1.11 0.16 -0.07 0.00 -1.04 0.00 0.00 39.33 39.50 2k4a h ASP 93 CO 0.82 -0.26 -0.30 0.54 -2.04 0.00 0.00 179.24 178.00 2k4a n ARG 94 N -4.77 -1.01 0.17 4.15 1.74 -1.26 -4.66 116.66 111.02 2k4a n ARG 94 Ca 0.40 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.31 2k4a n ARG 94 Cb 1.52 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 27.97 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 -3.26 -4.03 -0.24 -1.55 7.35 -1.26 -5.15 117.46 109.32 2k4a n PHE 95 Ca -0.15 1.16 0.00 0.00 -0.76 0.00 0.00 57.45 57.70 2k4a n PHE 95 Cb 0.53 2.99 0.00 0.00 0.35 0.00 0.00 39.48 43.35 2k4a n PHE 95 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k4a n SER 96 N -3.21 -0.55 -0.33 -2.13 7.64 -1.26 -4.92 113.62 108.85 2k4a n SER 96 Ca 0.00 -0.24 0.14 0.00 1.01 0.00 0.00 58.87 59.78 2k4a n SER 96 Cb 0.00 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 63.82 2k4a n SER 96 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k4a n LYS 97 N -0.79 1.46 -2.34 1.43 4.76 -1.26 -4.97 118.16 116.45 2k4a n LYS 97 Ca 0.00 -0.67 -0.04 0.00 -2.87 0.00 0.00 58.31 54.73 2k4a n LYS 97 Cb 0.00 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.69 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 -0.18 -3.56 -3.92 2.13 8.25 -1.26 -5.01 115.22 111.66 2k4a n HIS 98 Ca 0.20 2.08 -0.35 0.00 -0.26 0.00 0.00 57.72 59.38 2k4a n HIS 98 Cb 0.27 -3.42 -0.06 0.00 1.12 0.00 0.00 29.99 27.91 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 -0.52 6.29 -1.26 0.41 2.15 -1.26 -4.90 116.67 117.58 2k4a s ASP 99 Ca -0.22 0.39 -0.18 0.00 0.43 0.00 0.00 52.55 52.97 2k4a s ASP 99 Cb 0.01 -1.99 0.09 0.00 -0.30 0.00 0.00 42.92 40.73 2k4a s ASP 99 CO 0.61 0.34 1.66 -0.63 -0.17 0.00 0.00 175.17 176.97 2k4a s ILE 100 N -1.16 4.28 0.37 4.11 1.01 -1.26 -3.24 121.20 125.31 2k4a s ILE 100 Ca 0.21 -1.97 0.23 0.00 0.00 0.00 0.00 60.65 59.11 2k4a s ILE 100 Cb -0.12 -5.13 0.37 0.00 0.01 0.00 0.00 42.46 37.59 2k4a s ILE 100 CO 0.11 -1.94 1.50 2.30 0.00 0.00 0.00 174.94 176.91 2k4a n ILE 101 N 6.09 -0.36 0.00 2.92 -0.00 -1.22 -4.12 119.36 122.67 2k4a n ILE 101 Ca 0.45 1.88 0.00 0.00 -0.00 0.00 0.00 62.75 65.08 2k4a n ILE 101 Cb 0.46 -3.06 0.00 0.00 -0.00 0.00 0.00 39.64 37.04 2k4a n ILE 101 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k4a n GLY 102 N -1.31 -0.20 3.67 3.28 0.00 -1.24 -4.18 105.19 105.20 2k4a n GLY 102 Ca 0.37 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2k4a n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4a s GLU 103 N -2.00 2.11 0.10 1.61 -1.05 0.34 -0.04 118.70 119.77 2k4a s GLU 103 Ca 0.00 -1.60 -0.16 0.00 -0.15 0.00 0.00 54.97 53.06 2k4a s GLU 103 Cb 0.00 0.55 0.03 0.00 -0.44 0.00 0.00 34.13 34.27 2k4a s GLU 103 CO 0.00 -0.94 0.39 -0.59 0.95 0.00 0.00 175.26 175.07 2k4a s PHE 104 N -2.60 -0.20 0.11 4.83 -0.71 0.17 -1.07 117.98 118.51 2k4a s PHE 104 Ca 0.22 -0.06 -0.17 0.00 -1.04 0.00 0.00 56.93 55.88 2k4a s PHE 104 Cb -0.03 0.23 0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2k4a s PHE 104 CO 0.16 -0.66 0.42 -1.59 -1.34 0.00 0.00 175.22 172.20 2k4a s LYS 105 N -3.51 1.05 -0.13 1.99 -2.85 -1.26 0.04 119.74 115.07 2k4a s LYS 105 Ca 0.01 -0.61 -0.09 0.00 -1.00 0.00 0.00 55.97 54.28 2k4a s LYS 105 Cb 0.01 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.29 2k4a s LYS 105 CO -0.10 -0.40 0.33 0.54 0.10 0.00 0.00 175.35 175.82 2k4a s VAL 106 N -3.49 -0.02 -0.60 1.79 0.11 0.20 -4.97 120.40 113.41 2k4a s VAL 106 Ca 0.01 0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 58.85 2k4a s VAL 106 Cb 0.01 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2k4a s VAL 106 CO -0.10 0.03 1.17 -2.84 -3.33 0.00 0.00 175.10 170.02 2k4a s PRO 107 N 0.79 3.43 0.32 1.54 0.02 -1.26 -0.24 135.00 139.60 2k4a s PRO 107 Ca -0.05 0.07 0.10 0.00 0.02 0.00 0.00 61.00 61.14 2k4a s PRO 107 Cb -0.06 -4.05 0.91 0.00 0.02 0.00 0.00 34.50 31.32 2k4a s PRO 107 CO -0.06 -1.73 1.72 0.52 -0.33 0.00 0.00 177.00 177.12 2k4a h MET 108 N 9.59 0.54 -1.04 5.54 2.86 -1.74 0.21 114.93 130.90 2k4a h MET 108 Ca -0.26 -0.03 0.27 0.00 -2.06 0.00 0.00 59.70 57.62 2k4a h MET 108 Cb 1.06 -0.12 -0.11 0.00 0.06 0.00 0.00 31.60 32.48 2k4a h MET 108 CO 1.19 0.36 0.64 -0.97 1.06 0.00 0.00 176.91 179.19 2k4a h ASN 109 N 0.56 0.53 -0.65 1.22 -0.73 -1.74 0.63 115.58 115.39 2k4a h ASN 109 Ca 0.65 0.11 -0.16 0.00 1.87 0.00 0.00 56.30 58.78 2k4a h ASN 109 Cb 1.27 0.03 -0.10 0.00 0.27 0.00 0.00 38.32 39.80 2k4a h ASN 109 CO -0.49 0.06 0.19 1.07 -0.37 0.00 0.00 177.43 177.89 2k4a n THR 110 N -4.76 2.84 -3.45 -3.57 5.66 0.74 -4.62 114.28 107.13 2k4a n THR 110 Ca 0.27 -1.69 -0.27 0.00 -3.05 0.00 0.00 64.05 59.32 2k4a n THR 110 Cb 0.87 -0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 2k4a n THR 110 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2k4a n VAL 111 N -0.12 -0.36 -1.74 1.08 0.31 0.22 -4.97 118.33 112.75 2k4a n VAL 111 Ca 0.37 -3.92 -0.41 0.00 -0.01 0.00 0.00 64.34 60.37 2k4a n VAL 111 Cb 1.30 -1.84 0.01 0.00 -0.91 0.00 0.00 33.84 32.40 2k4a n VAL 111 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2k4a n ASP 112 N 2.28 3.15 -2.81 4.52 5.68 -1.26 -4.86 116.55 123.24 2k4a n ASP 112 Ca 0.26 1.16 -0.39 0.00 -0.50 0.00 0.00 54.79 55.32 2k4a n ASP 112 Cb 0.46 -1.56 0.05 0.00 -1.14 0.00 0.00 41.12 38.93 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 0.05 3.03 -0.11 2.11 1.16 -1.26 -4.68 117.46 117.76 2k4a n PHE 113 Ca 0.04 -2.45 0.01 0.00 -1.87 0.00 0.00 57.45 53.18 2k4a n PHE 113 Cb 0.39 -1.24 0.29 0.00 -1.61 0.00 0.00 39.48 37.31 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 2.82 0.83 0.00 4.97 0.00 -2.02 -3.45 103.07 106.22 2k4a h GLY 114 Ca 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2k4a h GLY 114 CO 1.47 0.35 0.00 1.42 0.00 0.00 0.00 176.54 179.78 2k4a n HIS 115 N -4.38 0.00 -3.78 5.60 8.25 -1.26 -5.15 115.22 114.50 2k4a n HIS 115 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2k4a n HIS 115 Cb 0.11 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -0.00 -0.87 1.59 -7.23 -1.26 -4.46 120.40 108.16 2k4a s VAL 116 Ca 0.00 0.01 -0.13 0.00 -1.81 0.00 0.00 61.98 60.05 2k4a s VAL 116 Cb 0.00 -0.37 0.23 0.00 0.56 0.00 0.00 36.38 36.79 2k4a s VAL 116 CO 0.00 0.00 0.82 -0.89 -0.31 0.00 0.00 175.10 174.73 2k4a s THR 117 N 0.21 5.67 -0.14 5.32 2.01 0.72 -4.92 115.64 124.52 2k4a s THR 117 Ca -0.01 -2.61 -0.03 0.00 0.31 0.00 0.00 61.69 59.35 2k4a s THR 117 Cb -0.02 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 2k4a s THR 117 CO -0.00 -1.06 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.24 2k4a s GLU 118 N -0.05 3.49 -0.11 4.92 2.02 -1.26 0.96 118.70 128.66 2k4a s GLU 118 Ca 0.20 -0.49 -0.33 0.00 0.02 0.00 0.00 54.97 54.37 2k4a s GLU 118 Cb -0.10 -2.88 0.13 0.00 0.10 0.00 0.00 34.13 31.38 2k4a s GLU 118 CO -0.09 0.37 1.25 -1.83 0.02 0.00 0.00 175.26 174.98 2k4a s GLU 119 N 0.02 0.34 -1.31 1.61 -1.05 -0.36 -5.00 118.70 112.95 2k4a s GLU 119 Ca 0.01 -0.16 -0.10 0.00 -0.15 0.00 0.00 54.97 54.57 2k4a s GLU 119 Cb -0.13 0.13 0.14 0.00 -0.44 0.00 0.00 34.13 33.83 2k4a s GLU 119 CO 0.02 -0.15 1.94 0.91 0.95 0.00 0.00 175.26 178.93 2k4a n TRP 120 N -0.27 3.11 -1.59 4.83 5.03 -1.26 -0.91 117.44 126.38 2k4a n TRP 120 Ca -0.04 -2.84 -0.53 0.00 3.03 0.00 0.00 57.50 57.13 2k4a n TRP 120 Cb 0.60 -2.08 -0.06 0.00 -1.03 0.00 0.00 31.31 28.75 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 4.37 1.08 -2.76 -0.99 3.00 -1.24 -4.70 116.66 115.41 2k4a n ARG 121 Ca 0.42 0.39 -0.36 0.00 -0.00 0.00 0.00 57.85 58.30 2k4a n ARG 121 Cb 0.37 -2.02 -0.06 0.00 0.00 0.00 0.00 32.46 30.74 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 0.48 7.13 -0.05 6.15 -4.77 -1.26 0.16 116.67 124.51 2k4a s ASP 122 Ca 0.85 1.82 0.05 0.00 -3.30 0.00 0.00 52.55 51.97 2k4a s ASP 122 Cb -0.97 -2.57 -0.02 0.00 -1.09 0.00 0.00 42.92 38.26 2k4a s ASP 122 CO 0.48 -0.22 -0.18 -0.76 0.70 0.00 0.00 175.17 175.18 2k4a s LEU 123 N -2.49 2.50 0.02 2.11 1.43 -0.48 -4.69 118.68 117.08 2k4a s LEU 123 Ca 0.55 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2k4a s LEU 123 Cb -0.16 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2k4a s LEU 123 CO 0.21 0.32 -0.13 0.00 0.23 0.00 0.00 176.35 176.98 2k4a s GLN 124 N -0.61 0.94 0.21 1.70 -2.07 -0.23 -2.26 119.66 117.33 2k4a s GLN 124 Ca 0.09 -0.61 -0.30 0.00 -1.82 0.00 0.00 55.36 52.72 2k4a s GLN 124 Cb -0.11 -0.92 -0.08 0.00 -1.09 0.00 0.00 33.01 30.81 2k4a s GLN 124 CO 0.00 0.24 1.14 -1.12 -1.32 0.00 0.00 175.29 174.23 2k4a s SER 125 N -0.77 7.19 -0.15 12.60 0.01 -1.26 0.12 113.70 131.45 2k4a s SER 125 Ca 0.03 2.21 0.02 0.00 1.31 0.00 0.00 55.95 59.51 2k4a s SER 125 Cb -0.06 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2k4a s SER 125 CO 0.00 -0.26 -0.21 0.00 0.41 0.00 0.00 173.24 173.19 2k4a s ALA 126 N -0.46 2.29 -0.53 1.44 0.00 -1.26 -4.72 121.76 118.52 2k4a s ALA 126 Ca 0.49 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 2k4a s ALA 126 Cb -0.32 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2k4a s ALA 126 CO 0.38 -0.10 2.01 -1.21 0.00 0.00 0.00 175.76 176.84 2k4a s GLU 127 N 0.92 2.59 0.00 0.00 2.02 -1.26 -4.78 118.70 118.19 2k4a s GLU 127 Ca -0.04 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2k4a s GLU 127 Cb -0.15 -4.42 0.00 0.00 0.10 0.00 0.00 34.13 29.66 2k4a s GLU 127 CO -0.04 -2.75 0.49 1.63 0.02 0.00 0.00 175.26 174.61