#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 0.56 0.00 3.49 0.00 -1.26 -4.71 119.74 117.82 2k4a s LYS 2 Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 55.97 56.57 2k4a s LYS 2 Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 37.83 38.09 2k4a s LYS 2 CO 0.00 -1.04 0.49 -0.11 0.00 0.00 0.00 175.35 174.69 2k4a n LEU 3 N 5.42 1.00 0.00 2.77 7.94 0.12 -4.34 117.00 129.91 2k4a n LEU 3 Ca 0.05 -0.85 0.00 0.00 -1.11 0.00 0.00 56.01 54.10 2k4a n LEU 3 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2k4a n LEU 3 CO -0.06 0.22 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 2k4a n GLY 4 N 0.50 0.75 3.18 -3.96 0.00 -1.05 -3.81 105.19 100.79 2k4a n GLY 4 Ca 0.02 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 0.65 -0.45 1.61 1.02 -0.47 0.32 119.74 122.43 2k4a s LYS 5 Ca 0.00 -0.49 0.06 0.00 0.02 0.00 0.00 55.97 55.56 2k4a s LYS 5 Cb 0.00 0.27 0.22 0.00 -0.52 0.00 0.00 37.83 37.80 2k4a s LYS 5 CO 0.00 -0.18 0.48 -0.11 -0.92 0.00 0.00 175.35 174.62 2k4a n LEU 6 N 0.96 0.58 -4.68 3.17 7.94 0.37 -1.03 117.00 124.31 2k4a n LEU 6 Ca -0.20 -4.71 -0.45 0.00 -1.11 0.00 0.00 56.01 49.54 2k4a n LEU 6 Cb 0.58 0.35 -0.04 0.00 0.53 0.00 0.00 43.42 44.84 2k4a n LEU 6 CO 0.22 1.97 1.22 0.00 -1.11 0.00 0.00 177.39 179.69 2k4a n GLN 7 N 1.88 2.27 -3.95 1.96 0.00 -1.16 -3.82 117.38 114.56 2k4a n GLN 7 Ca 0.25 0.82 -0.09 0.00 0.00 0.00 0.00 57.00 57.98 2k4a n GLN 7 Cb 0.48 -2.60 -0.08 0.00 0.00 0.00 0.00 30.24 28.05 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 0.91 0.37 -0.27 2.61 -0.85 -1.02 0.41 117.35 119.52 2k4a s TYR 8 Ca 0.78 -0.77 -0.02 0.00 -0.52 0.00 0.00 57.07 56.53 2k4a s TYR 8 Cb -0.64 -0.13 0.09 0.00 0.38 0.00 0.00 41.96 41.65 2k4a s TYR 8 CO 0.37 -0.60 0.08 -1.54 -1.52 0.00 0.00 175.55 172.34 2k4a s SER 9 N -2.93 3.57 0.24 -0.18 1.04 0.18 -1.89 113.70 113.72 2k4a s SER 9 Ca 0.12 -1.30 0.08 0.00 0.48 0.00 0.00 55.95 55.33 2k4a s SER 9 Cb 0.05 -0.67 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 2k4a s SER 9 CO -0.05 -0.38 0.08 -0.76 0.98 0.00 0.00 173.24 173.10 2k4a s LEU 10 N 1.79 3.47 0.33 2.42 1.43 0.27 -2.95 118.68 125.45 2k4a s LEU 10 Ca 0.06 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2k4a s LEU 10 Cb -0.17 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 2k4a s LEU 10 CO -0.22 0.01 0.39 1.51 0.23 0.00 0.00 176.35 178.27 2k4a s ASP 11 N -3.55 1.13 0.09 2.29 1.47 0.15 0.23 116.67 118.48 2k4a s ASP 11 Ca 0.31 -1.57 0.08 0.00 1.18 0.00 0.00 52.55 52.55 2k4a s ASP 11 Cb -0.08 0.61 -0.03 0.00 -0.34 0.00 0.00 42.92 43.08 2k4a s ASP 11 CO 0.22 -1.19 -0.21 -0.72 0.68 0.00 0.00 175.17 173.94 2k4a s TYR 12 N -3.26 1.82 -0.11 2.11 1.13 -1.26 0.18 117.35 117.97 2k4a s TYR 12 Ca 0.34 -0.41 0.02 0.00 -1.41 0.00 0.00 57.07 55.62 2k4a s TYR 12 Cb 0.01 -1.02 -0.01 0.00 -1.10 0.00 0.00 41.96 39.84 2k4a s TYR 12 CO 0.22 0.19 -0.19 0.34 -2.51 0.00 0.00 175.55 173.60 2k4a s ASP 13 N -1.75 3.51 -0.01 -0.18 -1.08 0.24 -4.87 116.67 112.54 2k4a s ASP 13 Ca 0.07 -0.45 0.18 0.00 -0.52 0.00 0.00 52.55 51.83 2k4a s ASP 13 Cb -0.10 -1.48 -0.21 0.00 -1.46 0.00 0.00 42.92 39.67 2k4a s ASP 13 CO 0.04 0.17 0.68 2.22 0.52 0.00 0.00 175.17 178.80 2k4a n PHE 14 N 3.50 0.00 0.08 -5.34 -1.74 -1.26 -1.99 117.46 110.70 2k4a n PHE 14 Ca -0.19 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.49 2k4a n PHE 14 Cb 0.53 -0.08 -0.15 0.00 1.52 0.00 0.00 39.48 41.30 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -0.56 0.00 0.00 176.76 175.64 2k4a h GLN 15 N 0.00 0.36 0.00 3.97 3.07 -1.95 -3.36 115.11 117.20 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 0.50 0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.29 2k4a h GLN 15 CO 0.00 1.26 -1.42 0.27 0.09 0.00 0.00 178.83 179.03 2k4a n ASN 16 N -3.55 0.66 -2.19 0.06 0.23 -1.26 -5.03 115.26 104.17 2k4a n ASN 16 Ca -0.21 -0.48 -0.02 0.00 -0.53 0.00 0.00 54.58 53.33 2k4a n ASN 16 Cb 1.07 1.46 0.01 0.00 -2.08 0.00 0.00 39.78 40.24 2k4a n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k4a n ASN 17 N -1.83 -4.28 -3.52 0.53 3.02 -1.16 -4.91 115.26 103.11 2k4a n ASN 17 Ca -0.00 -0.13 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 2k4a n ASN 17 Cb 0.41 -2.70 -0.02 0.00 -0.61 0.00 0.00 39.78 36.86 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k4a s GLN 18 N -3.21 1.32 -0.09 3.52 -2.07 -0.84 -2.55 119.66 115.73 2k4a s GLN 18 Ca 0.07 -0.55 -0.04 0.00 -1.82 0.00 0.00 55.36 53.02 2k4a s GLN 18 Cb -0.01 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.44 2k4a s GLN 18 CO 0.31 -0.58 0.07 -0.51 -1.32 0.00 0.00 175.29 173.26 2k4a s LEU 19 N -2.76 3.97 -0.49 2.60 1.43 0.97 0.83 118.68 125.23 2k4a s LEU 19 Ca 0.04 0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 2k4a s LEU 19 Cb -0.02 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.30 2k4a s LEU 19 CO -0.08 0.38 0.45 -0.22 0.23 0.00 0.00 176.35 177.10 2k4a s LEU 20 N -1.04 5.70 -0.46 1.79 1.98 0.48 -0.78 118.68 126.34 2k4a s LEU 20 Ca 0.15 -1.40 -0.16 0.00 -2.89 0.00 0.00 54.13 49.82 2k4a s LEU 20 Cb -0.12 -2.21 0.05 0.00 0.66 0.00 0.00 46.19 44.57 2k4a s LEU 20 CO 0.04 -0.73 0.44 -0.69 -1.89 0.00 0.00 176.35 173.52 2k4a s VAL 21 N 1.74 5.14 -0.37 1.68 1.01 -0.86 0.33 120.40 129.07 2k4a s VAL 21 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2k4a s VAL 21 Cb -0.25 -4.12 0.10 0.00 0.00 0.00 0.00 36.38 32.11 2k4a s VAL 21 CO 0.06 -0.56 0.12 -0.83 0.00 0.00 0.00 175.10 173.90 2k4a s GLY 22 N 2.34 1.96 -0.05 4.51 0.00 -1.15 0.39 107.32 115.31 2k4a s GLY 22 Ca 0.08 -2.51 -0.23 0.00 0.00 0.00 0.00 44.72 42.06 2k4a s GLY 22 CO 0.09 0.98 0.67 -0.26 0.00 0.00 0.00 173.10 174.58 2k4a s ILE 23 N 1.03 5.01 0.01 0.90 -0.00 -1.20 0.48 121.20 127.43 2k4a s ILE 23 Ca 0.09 1.39 -0.20 0.00 -0.00 0.00 0.00 60.65 61.93 2k4a s ILE 23 Cb -0.21 -4.01 -0.11 0.00 -0.00 0.00 0.00 42.46 38.13 2k4a s ILE 23 CO -0.06 0.29 0.97 0.40 -0.00 0.00 0.00 174.94 176.54 2k4a h ILE 24 N 4.61 0.00 -1.99 8.37 2.04 -0.36 -3.02 117.51 127.16 2k4a h ILE 24 Ca -0.42 -0.25 0.17 0.00 1.00 0.00 0.00 64.86 65.37 2k4a h ILE 24 Cb 1.20 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.12 2k4a h ILE 24 CO 0.74 0.00 0.61 0.00 0.00 0.00 0.00 178.15 179.50 2k4a s GLN 25 N -4.04 0.67 0.06 2.37 -2.07 -1.17 -2.02 119.66 113.47 2k4a s GLN 25 Ca -0.10 -0.27 0.03 0.00 -1.82 0.00 0.00 55.36 53.20 2k4a s GLN 25 Cb 0.01 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 2k4a s GLN 25 CO 0.31 -0.30 0.01 0.00 -1.32 0.00 0.00 175.29 174.00 2k4a s ALA 26 N -2.88 3.34 0.03 2.60 0.00 -0.54 -2.97 121.76 121.34 2k4a s ALA 26 Ca 0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 2k4a s ALA 26 Cb -0.01 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2k4a s ALA 26 CO -0.06 0.69 0.22 0.00 0.00 0.00 0.00 175.76 176.61 2k4a s ALA 27 N -1.25 -0.46 -0.66 0.00 0.00 -0.20 -2.60 121.76 116.59 2k4a s ALA 27 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 2k4a s ALA 27 Cb -0.12 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2k4a s ALA 27 CO 0.16 -0.35 0.13 0.39 0.00 0.00 0.00 175.76 176.10 2k4a n GLU 28 N 0.78 -1.37 -2.18 0.00 -0.58 -1.07 -1.36 120.64 114.86 2k4a n GLU 28 Ca -0.19 0.38 -0.32 0.00 -0.42 0.00 0.00 57.16 56.61 2k4a n GLU 28 Cb 0.58 -4.22 -0.01 0.00 -0.57 0.00 0.00 31.44 27.23 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 -2.70 3.52 0.81 -4.62 1.43 -1.04 -3.74 118.68 112.34 2k4a s LEU 29 Ca 0.07 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 2k4a s LEU 29 Cb -0.03 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.76 2k4a s LEU 29 CO 0.08 -0.87 1.10 -2.84 0.23 0.00 0.00 176.35 174.05 2k4a s PRO 30 N -4.22 1.94 -0.44 1.29 0.02 -1.26 -4.85 135.00 127.48 2k4a s PRO 30 Ca 0.60 0.69 -0.15 0.00 0.02 0.00 0.00 61.00 62.16 2k4a s PRO 30 Cb -0.12 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.54 2k4a s PRO 30 CO 0.36 -1.73 0.34 0.00 -0.33 0.00 0.00 177.00 175.64 2k4a s ALA 31 N -3.11 3.51 -0.19 -1.55 0.00 -1.26 -4.46 121.76 114.70 2k4a s ALA 31 Ca 0.61 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 2k4a s ALA 31 Cb -0.15 -2.96 -0.21 0.00 0.00 0.00 0.00 23.12 19.80 2k4a s ALA 31 CO 0.55 -1.59 0.08 -0.11 0.00 0.00 0.00 175.76 174.68 2k4a n LEU 32 N 5.17 2.75 -4.79 0.00 -0.00 -0.63 -4.80 117.00 114.70 2k4a n LEU 32 Ca -0.12 0.06 -0.35 0.00 -0.00 0.00 0.00 56.01 55.61 2k4a n LEU 32 Cb 0.45 -1.01 -0.02 0.00 -0.00 0.00 0.00 43.42 42.84 2k4a n LEU 32 CO 0.44 0.87 0.74 -0.62 -0.00 0.00 0.00 177.39 178.82 2k4a s ASP 33 N -6.82 6.16 -1.02 1.96 2.15 0.40 -4.90 116.67 114.60 2k4a s ASP 33 Ca -0.29 2.03 -0.22 0.00 0.43 0.00 0.00 52.55 54.51 2k4a s ASP 33 Cb 0.08 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 40.03 2k4a s ASP 33 CO 0.68 -0.91 1.93 0.80 -0.17 0.00 0.00 175.17 177.50 2k4a n MET 34 N -1.00 1.73 0.00 4.34 0.00 -1.26 -3.65 117.12 117.27 2k4a n MET 34 Ca 0.10 -2.26 0.00 0.00 -0.00 0.00 0.00 57.70 55.54 2k4a n MET 34 Cb 0.52 -3.33 0.00 0.00 0.00 0.00 0.00 33.22 30.40 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 5.13 0.00 4.23 -5.12 0.00 -1.26 -4.96 105.19 103.21 2k4a n GLY 35 Ca 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.44 3.65 -0.02 0.00 -1.24 -4.90 105.19 102.24 2k4a n GLY 36 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2k4a n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4a s THR 37 N -3.23 0.00 0.29 2.61 -4.23 -1.25 -4.86 115.64 104.97 2k4a s THR 37 Ca 0.74 -1.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.78 2k4a s THR 37 Cb -0.41 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.12 2k4a s THR 37 CO 0.91 0.00 0.65 -0.44 -0.54 0.00 0.00 174.62 175.20 2k4a s SER 38 N -3.04 -0.09 -0.75 3.99 0.01 -1.26 0.15 113.70 112.71 2k4a s SER 38 Ca 0.21 -0.85 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2k4a s SER 38 Cb -0.02 0.71 0.31 0.00 0.21 0.00 0.00 66.02 67.22 2k4a s SER 38 CO 0.11 -1.35 1.15 0.47 0.41 0.00 0.00 173.24 174.03 2k4a n ASP 39 N -0.66 5.17 -4.67 2.44 9.92 -1.26 0.98 116.55 128.47 2k4a n ASP 39 Ca -0.04 -3.60 -0.43 0.00 -0.53 0.00 0.00 54.79 50.20 2k4a n ASP 39 Cb 0.60 -0.80 -0.02 0.00 -0.64 0.00 0.00 41.12 40.25 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 -3.34 4.25 0.04 -0.24 0.04 -1.23 -0.03 135.00 134.48 2k4a s PRO 40 Ca 0.43 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.38 2k4a s PRO 40 Cb 0.20 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2k4a s PRO 40 CO -0.08 -0.68 -0.20 1.52 0.04 0.00 0.00 177.00 177.60 2k4a s TYR 41 N 3.24 1.79 -0.23 0.56 -0.85 0.44 -3.76 117.35 118.54 2k4a s TYR 41 Ca 0.61 -0.37 -0.22 0.00 -0.52 0.00 0.00 57.07 56.57 2k4a s TYR 41 Cb -0.27 -1.07 -0.02 0.00 0.38 0.00 0.00 41.96 40.99 2k4a s TYR 41 CO 0.21 0.08 0.68 0.08 -1.52 0.00 0.00 175.55 175.09 2k4a s VAL 42 N -0.79 4.96 -0.92 -3.49 1.01 -1.26 0.15 120.40 120.06 2k4a s VAL 42 Ca 0.07 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 2k4a s VAL 42 Cb -0.09 -3.99 0.24 0.00 0.00 0.00 0.00 36.38 32.55 2k4a s VAL 42 CO 0.02 0.03 0.90 2.29 0.00 0.00 0.00 175.10 178.33 2k4a n LYS 43 N 5.56 2.94 -1.68 2.72 2.85 0.41 -2.18 118.16 128.77 2k4a n LYS 43 Ca 0.01 -4.51 -0.45 0.00 -1.05 0.00 0.00 58.31 52.31 2k4a n LYS 43 Cb 0.49 -2.42 -0.04 0.00 -0.65 0.00 0.00 35.03 32.41 2k4a n LYS 43 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2k4a n VAL 44 N 2.05 0.41 -4.40 0.58 0.24 -1.16 -3.64 118.33 112.41 2k4a n VAL 44 Ca 0.23 -0.07 -0.20 0.00 -2.04 0.00 0.00 64.34 62.26 2k4a n VAL 44 Cb 0.37 -1.92 -0.10 0.00 -1.47 0.00 0.00 33.84 30.72 2k4a n VAL 44 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2k4a s PHE 45 N 3.01 1.71 0.18 6.34 0.08 0.69 -3.68 117.98 126.31 2k4a s PHE 45 Ca 0.86 -1.21 0.03 0.00 0.12 0.00 0.00 56.93 56.73 2k4a s PHE 45 Cb -0.60 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2k4a s PHE 45 CO 0.43 -0.31 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.70 2k4a s LEU 46 N -3.44 2.28 0.00 -0.37 2.01 -1.26 0.82 118.68 118.72 2k4a s LEU 46 Ca 0.34 -1.13 -0.02 0.00 0.01 0.00 0.00 54.13 53.32 2k4a s LEU 46 Cb 0.06 -0.21 0.03 0.00 0.01 0.00 0.00 46.19 46.08 2k4a s LEU 46 CO 0.15 -0.48 0.08 0.00 1.01 0.00 0.00 176.35 177.11 2k4a n LEU 47 N -0.28 0.00 -0.15 1.79 -0.00 0.54 -4.13 117.00 114.77 2k4a n LEU 47 Ca -0.07 -0.08 0.14 0.00 -0.00 0.00 0.00 56.01 56.00 2k4a n LEU 47 Cb 0.63 -0.08 0.25 0.00 -0.00 0.00 0.00 43.42 44.21 2k4a n LEU 47 CO 0.34 -1.57 0.45 -2.65 -0.00 0.00 0.00 177.39 173.96 2k4a n PRO 48 N -2.28 -0.02 -0.31 1.47 -0.02 -1.26 0.42 135.00 133.00 2k4a n PRO 48 Ca 0.01 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 2k4a n PRO 48 Cb 0.05 -0.98 0.04 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.27 -3.04 2.55 3.58 -1.91 -3.44 116.42 112.89 2k4a h ASP 49 Ca 0.34 0.27 -0.12 0.00 0.42 0.00 0.00 57.03 57.94 2k4a h ASP 49 Cb 0.99 0.67 -0.03 0.00 1.72 0.00 0.00 39.33 42.68 2k4a h ASP 49 CO -0.25 -0.29 -0.13 0.29 -2.88 0.00 0.00 179.24 175.97 2k4a n LYS 50 N -5.47 -1.86 -1.36 0.28 4.76 0.17 -4.80 118.16 109.89 2k4a n LYS 50 Ca 0.08 0.32 -0.24 0.00 -2.87 0.00 0.00 58.31 55.60 2k4a n LYS 50 Cb 0.39 -4.64 -0.09 0.00 -1.84 0.00 0.00 35.03 28.84 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 -2.01 2.61 0.00 1.97 5.02 -1.26 -4.76 118.16 119.74 2k4a n LYS 51 Ca -0.06 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 2k4a n LYS 51 Cb 0.37 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 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 1.78 0.00 -3.08 1.97 2.85 -1.26 -4.29 118.16 116.13 2k4a n LYS 52 Ca 0.51 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.75 2k4a n LYS 52 Cb 0.62 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.99 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 -1.46 0.89 -0.14 -1.58 2.20 -1.26 -4.62 119.74 113.78 2k4a s LYS 53 Ca 0.00 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 2k4a s LYS 53 Cb 0.00 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 2k4a s LYS 53 CO 0.00 -1.24 -0.01 0.12 -0.36 0.00 0.00 175.35 173.86 2k4a s PHE 54 N 1.48 3.09 -0.25 4.03 2.19 -1.24 -5.07 117.98 122.21 2k4a s PHE 54 Ca 0.21 -0.09 -0.03 0.00 0.33 0.00 0.00 56.93 57.35 2k4a s PHE 54 Cb -0.03 -1.92 0.02 0.00 -1.31 0.00 0.00 43.02 39.77 2k4a s PHE 54 CO -0.06 0.14 -0.04 -2.00 1.83 0.00 0.00 175.22 175.09 2k4a s GLU 55 N -0.01 2.96 0.89 10.12 2.12 -1.26 -3.01 118.70 130.51 2k4a s GLU 55 Ca 0.02 -0.90 -0.12 0.00 0.36 0.00 0.00 54.97 54.33 2k4a s GLU 55 Cb -0.13 -3.04 0.12 0.00 0.26 0.00 0.00 34.13 31.34 2k4a s GLU 55 CO 0.02 -0.37 1.11 0.95 -0.54 0.00 0.00 175.26 176.43 2k4a s THR 56 N 1.38 2.42 0.23 -1.70 -4.23 -0.93 -4.99 115.64 107.81 2k4a s THR 56 Ca 0.01 0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 2k4a s THR 56 Cb -0.16 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 2k4a s THR 56 CO -0.03 -0.18 1.23 -0.75 -0.54 0.00 0.00 174.62 174.35 2k4a s LYS 57 N -5.16 4.47 0.28 3.99 2.20 -1.26 -4.74 119.74 119.52 2k4a s LYS 57 Ca 0.63 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.90 2k4a s LYS 57 Cb -0.15 -3.19 -0.12 0.00 -1.51 0.00 0.00 37.83 32.86 2k4a s LYS 57 CO 0.55 -0.09 1.63 1.55 -0.36 0.00 0.00 175.35 178.62 2k4a n VAL 58 N 2.04 0.85 -3.64 4.02 3.14 -1.26 -4.76 118.33 118.71 2k4a n VAL 58 Ca 0.03 -0.21 -0.37 0.00 -2.96 0.00 0.00 64.34 60.83 2k4a n VAL 58 Cb 0.44 -1.99 -0.07 0.00 -1.06 0.00 0.00 33.84 31.16 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 0.20 3.74 0.17 1.45 0.09 -1.25 -5.03 115.29 114.67 2k4a s HIS 59 Ca 0.66 -2.89 -0.33 0.00 -0.00 0.00 0.00 55.06 52.50 2k4a s HIS 59 Cb -0.49 -3.26 -0.15 0.00 -0.00 0.00 0.00 32.58 28.68 2k4a s HIS 59 CO 0.46 -0.78 1.40 2.89 -0.00 0.00 0.00 174.74 178.71 2k4a n ARG 60 N 2.75 1.74 -3.29 1.40 -4.01 -1.26 -3.50 116.66 110.49 2k4a n ARG 60 Ca 0.17 0.62 -0.27 0.00 -1.04 0.00 0.00 57.85 57.33 2k4a n ARG 60 Cb 0.38 -2.28 0.02 0.00 -3.04 0.00 0.00 32.46 27.53 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 2.51 -1.43 -3.64 2.89 4.76 -0.15 -4.88 118.16 118.22 2k4a n LYS 61 Ca 0.15 0.90 -0.11 0.00 -2.87 0.00 0.00 58.31 56.38 2k4a n LYS 61 Cb 0.27 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.93 -0.00 -1.33 -0.18 -1.32 0.27 -4.74 115.64 106.41 2k4a s THR 62 Ca 0.17 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.81 2k4a s THR 62 Cb -0.02 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2k4a s THR 62 CO 0.72 0.00 0.81 0.18 -2.21 0.00 0.00 174.62 174.12 2k4a n LEU 63 N 3.34 1.49 -3.16 9.08 4.77 -1.26 -4.26 117.00 127.01 2k4a n LEU 63 Ca -0.16 -0.74 -0.19 0.00 -0.03 0.00 0.00 56.01 54.88 2k4a n LEU 63 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2k4a n LEU 63 CO 0.01 0.29 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.98 2k4a n ASN 64 N -0.25 1.32 -4.71 -1.43 5.15 -1.26 -2.50 115.26 111.58 2k4a n ASN 64 Ca 0.06 -3.10 -0.42 0.00 -0.60 0.00 0.00 54.58 50.52 2k4a n ASN 64 Cb 0.31 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 38.92 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 -2.55 4.49 0.14 1.20 0.04 -1.07 -4.86 135.00 132.39 2k4a s PRO 65 Ca 0.41 1.58 0.08 0.00 0.04 0.00 0.00 61.00 63.11 2k4a s PRO 65 Cb 0.34 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2k4a s PRO 65 CO -0.09 -0.16 -0.10 0.14 0.04 0.00 0.00 177.00 176.84 2k4a s VAL 66 N 1.08 3.26 0.00 -0.36 -7.23 -1.26 -1.47 120.40 114.43 2k4a s VAL 66 Ca 0.55 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2k4a s VAL 66 Cb -0.25 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2k4a s VAL 66 CO 0.28 -0.00 0.00 0.33 -0.31 0.00 0.00 175.10 175.40 2k4a n PHE 67 N 0.36 -0.26 -2.83 2.82 -0.00 -1.05 -5.02 117.46 111.49 2k4a n PHE 67 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.25 2k4a n PHE 67 Cb 0.54 0.05 0.03 0.00 -0.00 0.00 0.00 39.48 40.10 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 -1.27 -3.32 -4.77 -2.13 5.15 -0.86 -5.01 115.26 103.06 2k4a n ASN 68 Ca 0.00 -0.20 -0.36 0.00 -0.60 0.00 0.00 54.58 53.42 2k4a n ASN 68 Cb 0.00 -2.12 -0.01 0.00 -0.53 0.00 0.00 39.78 37.12 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 -5.31 3.68 -0.11 1.20 2.02 -1.23 -4.76 118.70 114.19 2k4a s GLU 69 Ca 0.18 1.71 -0.10 0.00 0.02 0.00 0.00 54.97 56.78 2k4a s GLU 69 Cb -0.08 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 2k4a s GLU 69 CO 0.26 -0.60 0.21 -1.14 0.02 0.00 0.00 175.26 174.01 2k4a s GLN 70 N -2.84 3.75 -0.28 1.61 0.74 -1.26 -3.26 119.66 118.12 2k4a s GLN 70 Ca 0.66 -0.01 -0.04 0.00 0.05 0.00 0.00 55.36 56.02 2k4a s GLN 70 Cb -0.27 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.61 2k4a s GLN 70 CO 0.32 0.62 0.01 0.12 -0.55 0.00 0.00 175.29 175.82 2k4a s PHE 71 N -0.64 3.15 -1.05 1.67 5.36 0.16 -4.99 117.98 121.64 2k4a s PHE 71 Ca 0.16 -1.39 -0.23 0.00 -0.96 0.00 0.00 56.93 54.51 2k4a s PHE 71 Cb -0.13 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 2k4a s PHE 71 CO 0.05 -0.69 1.73 0.99 -1.46 0.00 0.00 175.22 175.84 2k4a s THR 72 N 1.38 3.74 -0.99 0.12 2.01 -1.26 -2.02 115.64 118.61 2k4a s THR 72 Ca -0.00 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 2k4a s THR 72 Cb -0.18 -4.65 -0.11 0.00 0.01 0.00 0.00 72.50 67.57 2k4a s THR 72 CO -0.01 -1.48 1.93 0.33 -0.69 0.00 0.00 174.62 174.70 2k4a n PHE 73 N 11.32 2.46 -1.72 4.92 -0.00 0.04 -4.86 117.46 129.62 2k4a n PHE 73 Ca 0.39 -1.82 -0.29 0.00 -0.00 0.00 0.00 57.45 55.73 2k4a n PHE 73 Cb 0.48 -2.14 -0.04 0.00 -0.00 0.00 0.00 39.48 37.78 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 5.36 2.13 -0.30 -4.13 -0.14 -1.26 -0.02 119.74 121.38 2k4a s LYS 74 Ca 0.60 0.79 -0.16 0.00 -1.36 0.00 0.00 55.97 55.84 2k4a s LYS 74 Cb 0.08 -4.66 0.19 0.00 -1.68 0.00 0.00 37.83 31.77 2k4a s LYS 74 CO 0.11 -3.49 1.18 0.54 -0.76 0.00 0.00 175.35 172.93 2k4a s VAL 75 N 11.99 -0.04 0.30 3.17 0.11 -1.06 -4.70 120.40 130.18 2k4a s VAL 75 Ca 0.87 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.62 2k4a s VAL 75 Cb -0.14 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.60 2k4a s VAL 75 CO 0.17 0.00 1.59 -2.84 -3.33 0.00 0.00 175.10 170.69 2k4a s PRO 76 N 1.33 4.11 0.48 1.54 0.02 -1.07 -3.13 135.00 138.29 2k4a s PRO 76 Ca -0.07 2.59 0.29 0.00 0.02 0.00 0.00 61.00 63.84 2k4a s PRO 76 Cb -0.03 -3.01 1.38 0.00 0.02 0.00 0.00 34.50 32.86 2k4a s PRO 76 CO -0.12 -0.63 1.78 0.10 -0.33 0.00 0.00 177.00 177.80 2k4a h TYR 77 N 4.62 0.28 -0.60 6.54 -0.00 -1.85 0.85 116.97 126.81 2k4a h TYR 77 Ca -0.48 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.18 2k4a h TYR 77 Cb 1.22 -0.08 -0.02 0.00 -0.00 0.00 0.00 36.73 37.85 2k4a h TYR 77 CO 0.58 0.01 0.05 0.66 -0.00 0.00 0.00 178.16 179.46 2k4a h SER 78 N 0.15 0.97 1.16 0.10 4.64 -1.99 -2.93 113.55 115.66 2k4a h SER 78 Ca 0.59 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 2k4a h SER 78 Cb 2.00 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 2k4a h SER 78 CO -0.14 1.00 -0.89 -0.33 -0.87 0.00 0.00 176.83 175.60 2k4a h GLU 79 N 0.94 0.00 -0.96 4.77 5.08 0.09 -3.33 114.58 121.17 2k4a h GLU 79 Ca 0.18 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.80 2k4a h GLU 79 Cb 0.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2k4a h GLU 79 CO 0.02 0.33 0.67 1.25 -1.00 0.00 0.00 179.01 180.28 2k4a h LEU 80 N 0.00 0.11 -0.16 1.33 6.46 0.15 -3.14 115.31 120.07 2k4a h LEU 80 Ca -0.07 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 2k4a h LEU 80 Cb 1.40 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.30 2k4a h LEU 80 CO 0.05 0.03 -0.10 0.61 -0.62 0.00 0.00 178.44 178.42 2k4a n GLY 81 N -1.67 -2.52 1.69 3.75 0.00 -1.25 -0.05 105.19 105.15 2k4a n GLY 81 Ca 0.20 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.04 3.51 3.12 -0.02 0.00 -1.18 -1.52 105.19 108.06 2k4a n GLY 82 Ca 0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.59 2.17 -0.44 1.61 3.01 0.93 -4.92 119.74 120.51 2k4a s LYS 83 Ca 0.27 -1.99 -0.23 0.00 -1.01 0.00 0.00 55.97 53.01 2k4a s LYS 83 Cb 0.22 -3.64 0.02 0.00 -1.01 0.00 0.00 37.83 33.42 2k4a s LYS 83 CO 0.03 -1.11 0.78 0.99 0.51 0.00 0.00 175.35 176.55 2k4a s THR 84 N 0.86 4.66 0.36 2.17 2.01 -1.26 -2.29 115.64 122.16 2k4a s THR 84 Ca 0.10 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 2k4a s THR 84 Cb -0.22 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.89 2k4a s THR 84 CO -0.04 -0.69 0.78 -1.48 -0.69 0.00 0.00 174.62 172.50 2k4a s LEU 85 N 3.25 3.97 -0.17 4.42 2.34 -1.11 -0.34 118.68 131.04 2k4a s LEU 85 Ca 0.30 1.30 -0.00 0.00 0.06 0.00 0.00 54.13 55.79 2k4a s LEU 85 Cb -0.12 -4.14 0.04 0.00 -0.56 0.00 0.00 46.19 41.41 2k4a s LEU 85 CO 0.22 -0.29 -0.06 0.68 -1.06 0.00 0.00 176.35 175.84 2k4a s VAL 86 N -2.13 1.18 -0.88 1.48 -7.23 0.24 -2.27 120.40 110.79 2k4a s VAL 86 Ca 0.55 -0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 59.84 2k4a s VAL 86 Cb -0.10 -1.36 0.17 0.00 0.56 0.00 0.00 36.38 35.65 2k4a s VAL 86 CO 0.21 0.11 0.98 -0.32 -0.31 0.00 0.00 175.10 175.77 2k4a s MET 87 N 1.60 3.59 -0.14 4.82 1.75 0.40 -0.22 119.30 131.10 2k4a s MET 87 Ca 0.00 -2.03 -0.13 0.00 -1.25 0.00 0.00 55.69 52.28 2k4a s MET 87 Cb -0.16 -4.71 -0.05 0.00 2.84 0.00 0.00 34.83 32.75 2k4a s MET 87 CO -0.08 -1.58 0.28 0.00 -0.65 0.00 0.00 175.02 172.99 2k4a s ALA 88 N 1.69 3.65 -0.28 4.11 0.00 -1.24 -0.58 121.76 129.10 2k4a s ALA 88 Ca 0.27 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 2k4a s ALA 88 Cb -0.07 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2k4a s ALA 88 CO -0.09 0.21 0.12 0.54 0.00 0.00 0.00 175.76 176.54 2k4a s VAL 89 N 0.08 4.56 -0.04 0.00 0.11 0.98 0.15 120.40 126.24 2k4a s VAL 89 Ca 0.17 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2k4a s VAL 89 Cb -0.13 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 2k4a s VAL 89 CO 0.05 0.23 0.03 -0.47 -3.33 0.00 0.00 175.10 171.60 2k4a s TYR 90 N 1.64 3.19 0.51 1.54 5.04 0.39 -2.99 117.35 126.65 2k4a s TYR 90 Ca 0.06 0.18 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 2k4a s TYR 90 Cb -0.16 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.38 2k4a s TYR 90 CO 0.06 0.50 0.80 0.34 -1.34 0.00 0.00 175.55 175.90 2k4a s ASP 91 N -1.27 6.02 -0.29 4.32 2.15 -0.96 0.17 116.67 126.79 2k4a s ASP 91 Ca 0.17 0.78 0.20 0.00 0.43 0.00 0.00 52.55 54.13 2k4a s ASP 91 Cb -0.12 -2.01 0.48 0.00 -0.30 0.00 0.00 42.92 40.98 2k4a s ASP 91 CO 0.07 -0.72 1.04 0.33 -0.17 0.00 0.00 175.17 175.72 2k4a n PHE 92 N -2.32 1.32 -0.32 -5.34 7.35 0.95 -4.54 117.46 114.56 2k4a n PHE 92 Ca 0.02 -2.47 0.26 0.00 -0.76 0.00 0.00 57.45 54.49 2k4a n PHE 92 Cb 0.56 -0.30 0.49 0.00 0.35 0.00 0.00 39.48 40.58 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 -0.35 0.20 -0.46 -2.13 5.75 -1.26 -4.63 116.55 113.67 2k4a n ASP 93 Ca 0.10 1.63 0.00 0.00 -0.01 0.00 0.00 54.79 56.51 2k4a n ASP 93 Cb 0.81 -0.73 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 -5.28 0.00 0.09 0.11 1.74 -1.26 -4.91 116.66 107.15 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 1.10 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.53 -2.73 -2.86 -1.55 7.35 -1.26 -5.15 117.46 108.74 2k4a n PHE 95 Ca 0.00 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 2k4a n PHE 95 Cb 0.49 1.60 0.00 0.00 0.35 0.00 0.00 39.48 41.91 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 -2.94 0.82 -4.56 -2.13 7.64 -1.26 -5.04 113.62 106.14 2k4a n SER 96 Ca 0.00 -0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.01 2k4a n SER 96 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4a s LYS 97 N 0.31 3.37 0.06 1.43 -0.14 -1.26 -4.93 119.74 118.58 2k4a s LYS 97 Ca 0.00 -0.01 -0.36 0.00 -1.36 0.00 0.00 55.97 54.23 2k4a s LYS 97 Cb 0.00 -4.09 -0.19 0.00 -1.68 0.00 0.00 37.83 31.88 2k4a s LYS 97 CO 0.00 -1.84 0.96 0.72 -0.76 0.00 0.00 175.35 174.43 2k4a n HIS 98 N 8.67 0.46 -4.15 3.18 8.25 -1.26 -4.95 115.22 125.42 2k4a n HIS 98 Ca 0.05 0.99 -0.30 0.00 -0.26 0.00 0.00 57.72 58.21 2k4a n HIS 98 Cb 0.49 -2.08 -0.08 0.00 1.12 0.00 0.00 29.99 29.43 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 -0.21 4.89 -1.17 0.41 2.15 -1.26 -4.89 116.67 116.58 2k4a s ASP 99 Ca 0.83 -0.22 -0.16 0.00 0.43 0.00 0.00 52.55 53.43 2k4a s ASP 99 Cb -1.14 -1.12 0.14 0.00 -0.30 0.00 0.00 42.92 40.49 2k4a s ASP 99 CO 0.56 0.17 1.45 -0.63 -0.17 0.00 0.00 175.17 176.55 2k4a s ILE 100 N -1.29 4.73 0.37 4.11 1.01 -1.26 -2.28 121.20 126.59 2k4a s ILE 100 Ca 0.25 -2.21 0.20 0.00 0.00 0.00 0.00 60.65 58.89 2k4a s ILE 100 Cb -0.12 -4.96 0.37 0.00 0.01 0.00 0.00 42.46 37.76 2k4a s ILE 100 CO 0.17 -1.71 1.64 0.16 0.00 0.00 0.00 174.94 175.20 2k4a h ILE 101 N 5.17 0.19 -1.36 2.92 -2.65 -1.78 -3.34 117.51 116.65 2k4a h ILE 101 Ca 0.31 -0.06 0.33 0.00 1.03 0.00 0.00 64.86 66.47 2k4a h ILE 101 Cb 0.90 -0.02 -0.14 0.00 -2.05 0.00 0.00 36.82 35.52 2k4a h ILE 101 CO 1.28 0.03 0.86 -0.83 0.03 0.00 0.00 178.15 179.52 2k4a s GLY 102 N -4.27 -0.41 -0.30 0.16 0.00 -1.24 -2.01 107.32 99.26 2k4a s GLY 102 Ca -0.09 0.91 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 2k4a s GLY 102 CO 0.79 0.21 0.69 -1.83 0.00 0.00 0.00 173.10 172.96 2k4a s GLU 103 N -2.34 0.54 0.31 2.90 -1.05 -0.11 -0.01 118.70 118.94 2k4a s GLU 103 Ca 0.14 1.30 -0.07 0.00 -0.15 0.00 0.00 54.97 56.18 2k4a s GLU 103 Cb 0.04 0.77 -0.06 0.00 -0.44 0.00 0.00 34.13 34.45 2k4a s GLU 103 CO -0.04 -0.25 0.61 -0.59 0.95 0.00 0.00 175.26 175.94 2k4a s PHE 104 N 2.84 3.47 -0.01 4.83 -0.12 0.25 -4.68 117.98 124.56 2k4a s PHE 104 Ca -0.02 0.78 -0.13 0.00 -0.05 0.00 0.00 56.93 57.51 2k4a s PHE 104 Cb -0.12 -2.21 0.02 0.00 -0.63 0.00 0.00 43.02 40.08 2k4a s PHE 104 CO -0.19 0.12 0.27 -1.59 -0.05 0.00 0.00 175.22 173.78 2k4a s LYS 105 N -3.52 0.61 -0.23 1.99 0.00 -1.26 0.15 119.74 117.48 2k4a s LYS 105 Ca 0.46 -0.21 -0.18 0.00 0.00 0.00 0.00 55.97 56.04 2k4a s LYS 105 Cb -0.11 0.27 0.06 0.00 0.00 0.00 0.00 37.83 38.06 2k4a s LYS 105 CO 0.29 -0.16 0.60 0.54 0.00 0.00 0.00 175.35 176.62 2k4a s VAL 106 N -1.27 -0.00 -0.15 1.79 0.11 -0.96 -5.02 120.40 114.90 2k4a s VAL 106 Ca -0.13 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 2k4a s VAL 106 Cb -0.06 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2k4a s VAL 106 CO 0.03 0.01 1.51 -2.84 -3.33 0.00 0.00 175.10 170.48 2k4a s PRO 107 N 0.82 4.06 0.43 1.54 0.02 -1.26 -2.75 135.00 137.85 2k4a s PRO 107 Ca -0.04 1.82 0.13 0.00 0.02 0.00 0.00 61.00 62.93 2k4a s PRO 107 Cb -0.05 -3.93 1.00 0.00 0.02 0.00 0.00 34.50 31.54 2k4a s PRO 107 CO -0.06 -0.96 1.98 0.52 -0.33 0.00 0.00 177.00 178.14 2k4a h MET 108 N 9.51 0.43 -0.75 5.54 2.86 -1.65 -1.97 114.93 128.90 2k4a h MET 108 Ca -0.33 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.44 2k4a h MET 108 Cb 1.14 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.60 2k4a h MET 108 CO 0.98 0.28 0.23 -0.97 1.06 0.00 0.00 176.91 178.49 2k4a h ASN 109 N 0.44 0.11 0.46 1.22 -1.24 -1.40 0.38 115.58 115.55 2k4a h ASN 109 Ca 0.28 0.14 -0.08 0.00 0.71 0.00 0.00 56.30 57.34 2k4a h ASN 109 Cb 0.52 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 2k4a h ASN 109 CO -0.08 0.00 -0.40 0.74 -1.29 0.00 0.00 177.43 176.40 2k4a h THR 110 N 0.32 1.22 -1.47 -3.57 2.02 -1.65 -3.38 112.91 106.40 2k4a h THR 110 Ca 0.43 -1.41 -0.61 0.00 0.77 0.00 0.00 66.41 65.59 2k4a h THR 110 Cb 0.71 1.77 -0.11 0.00 -1.74 0.00 0.00 68.15 68.78 2k4a h THR 110 CO -0.48 0.39 1.33 -0.69 0.37 0.00 0.00 175.52 176.44 2k4a s VAL 111 N -4.03 4.05 -0.23 3.16 1.01 0.13 -4.96 120.40 119.54 2k4a s VAL 111 Ca -0.02 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2k4a s VAL 111 Cb 0.14 -4.99 -0.03 0.00 0.00 0.00 0.00 36.38 31.50 2k4a s VAL 111 CO 0.72 -1.85 1.67 1.51 0.00 0.00 0.00 175.10 177.15 2k4a s ASP 112 N 4.62 6.28 -1.18 3.32 -4.77 -1.26 -4.88 116.67 118.81 2k4a s ASP 112 Ca 0.42 1.62 -0.08 0.00 -3.30 0.00 0.00 52.55 51.21 2k4a s ASP 112 Cb -0.02 -2.53 -0.07 0.00 -1.09 0.00 0.00 42.92 39.21 2k4a s ASP 112 CO -0.08 -1.34 2.41 2.22 0.70 0.00 0.00 175.17 179.09 2k4a n PHE 113 N 8.77 1.83 -0.18 2.11 -1.74 -1.26 -4.58 117.46 122.41 2k4a n PHE 113 Ca 0.20 -2.39 -0.08 0.00 -0.56 0.00 0.00 57.45 54.61 2k4a n PHE 113 Cb 0.45 -1.99 0.01 0.00 1.52 0.00 0.00 39.48 39.47 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 8.16 0.85 0.00 4.97 0.00 -2.02 -3.46 103.07 111.58 2k4a h GLY 114 Ca 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2k4a h GLY 114 CO 1.61 0.44 0.00 1.42 0.00 0.00 0.00 176.54 180.01 2k4a n HIS 115 N -4.52 -4.81 -3.74 5.60 8.25 -1.26 -5.12 115.22 109.62 2k4a n HIS 115 Ca 0.02 1.67 -0.11 0.00 -0.26 0.00 0.00 57.72 59.05 2k4a n HIS 115 Cb 0.17 4.14 -0.07 0.00 1.12 0.00 0.00 29.99 35.35 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 -2.00 0.09 -0.36 1.59 -7.23 -1.26 -4.08 120.40 107.15 2k4a s VAL 116 Ca 0.00 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.47 2k4a s VAL 116 Cb 0.00 -1.06 0.11 0.00 0.56 0.00 0.00 36.38 35.98 2k4a s VAL 116 CO 0.00 -0.40 0.11 -0.89 -0.31 0.00 0.00 175.10 173.61 2k4a s THR 117 N -3.06 1.77 -0.28 5.32 2.01 0.63 -4.96 115.64 117.07 2k4a s THR 117 Ca -0.01 -2.17 0.01 0.00 0.31 0.00 0.00 61.69 59.83 2k4a s THR 117 Cb 0.01 -2.30 0.06 0.00 0.01 0.00 0.00 72.50 70.27 2k4a s THR 117 CO -0.07 -0.68 -0.07 -1.61 -0.69 0.00 0.00 174.62 171.51 2k4a s GLU 118 N 0.95 2.30 0.02 4.92 2.02 -1.26 0.96 118.70 128.62 2k4a s GLU 118 Ca 0.12 -1.33 -0.07 0.00 0.02 0.00 0.00 54.97 53.71 2k4a s GLU 118 Cb -0.20 -3.00 -0.00 0.00 0.10 0.00 0.00 34.13 31.03 2k4a s GLU 118 CO -0.12 -0.59 0.14 -1.83 0.02 0.00 0.00 175.26 172.88 2k4a s GLU 119 N 1.15 0.56 -1.36 1.61 -1.05 -0.79 -4.99 118.70 113.83 2k4a s GLU 119 Ca -0.07 -0.56 -0.14 0.00 -0.15 0.00 0.00 54.97 54.05 2k4a s GLU 119 Cb -0.20 0.23 0.09 0.00 -0.44 0.00 0.00 34.13 33.81 2k4a s GLU 119 CO -0.04 -0.14 1.95 0.91 0.95 0.00 0.00 175.26 178.89 2k4a n TRP 120 N 1.08 3.87 -1.84 4.83 5.03 -1.26 -2.42 117.44 126.72 2k4a n TRP 120 Ca -0.21 -2.95 -0.42 0.00 3.03 0.00 0.00 57.50 56.96 2k4a n TRP 120 Cb 0.57 -2.42 -0.02 0.00 -1.03 0.00 0.00 31.31 28.40 2k4a n TRP 120 CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 2k4a s ARG 121 N 2.75 4.17 0.48 -0.99 6.06 -1.25 -4.83 118.95 125.34 2k4a s ARG 121 Ca 0.47 2.49 -0.08 0.00 -2.50 0.00 0.00 55.73 56.10 2k4a s ARG 121 Cb 0.09 -3.07 -0.05 0.00 0.06 0.00 0.00 34.95 31.98 2k4a s ARG 121 CO -0.02 -0.61 0.83 0.16 -2.50 0.00 0.00 175.30 173.16 2k4a s ASP 122 N 0.72 6.36 -0.12 -2.12 -4.77 -1.26 0.14 116.67 115.61 2k4a s ASP 122 Ca 0.66 1.11 -0.01 0.00 -3.30 0.00 0.00 52.55 51.00 2k4a s ASP 122 Cb -0.46 -2.32 -0.02 0.00 -1.09 0.00 0.00 42.92 39.02 2k4a s ASP 122 CO 0.41 -0.57 -0.09 -0.76 0.70 0.00 0.00 175.17 174.87 2k4a s LEU 123 N -4.48 3.00 -0.12 2.11 1.43 0.15 -4.59 118.68 116.17 2k4a s LEU 123 Ca 0.50 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2k4a s LEU 123 Cb -0.10 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 2k4a s LEU 123 CO 0.41 0.22 -0.10 0.00 0.23 0.00 0.00 176.35 177.11 2k4a s GLN 124 N 0.04 3.32 0.72 1.70 -2.07 -1.26 0.14 119.66 122.25 2k4a s GLN 124 Ca -0.02 -0.63 -0.15 0.00 -1.82 0.00 0.00 55.36 52.74 2k4a s GLN 124 Cb -0.14 -2.68 0.03 0.00 -1.09 0.00 0.00 33.01 29.13 2k4a s GLN 124 CO 0.03 0.31 1.18 -1.12 -1.32 0.00 0.00 175.29 174.37 2k4a s SER 125 N 0.13 4.38 -0.16 12.60 0.01 -1.26 -0.93 113.70 128.47 2k4a s SER 125 Ca -0.05 2.24 -0.04 0.00 1.31 0.00 0.00 55.95 59.42 2k4a s SER 125 Cb -0.14 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.58 2k4a s SER 125 CO 0.04 -2.13 0.18 0.00 0.41 0.00 0.00 173.24 171.74 2k4a s ALA 126 N -2.13 -0.09 -1.24 1.44 0.00 -0.85 -4.64 121.76 114.25 2k4a s ALA 126 Ca 0.72 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 2k4a s ALA 126 Cb -0.26 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2k4a s ALA 126 CO 0.45 -1.02 1.85 0.39 0.00 0.00 0.00 175.76 177.42 2k4a n GLU 127 N 5.31 2.35 0.00 0.00 4.71 -1.26 -4.52 120.64 127.23 2k4a n GLU 127 Ca -0.06 -2.85 0.12 0.00 -0.01 0.00 0.00 57.16 54.37 2k4a n GLU 127 Cb 0.49 -3.62 0.14 0.00 -1.01 0.00 0.00 31.44 27.44 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85