#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.46 -0.02 3.49 0.00 -1.26 -4.67 119.74 117.74 2k4a s LYS 2 Ca 0.00 1.07 0.03 0.00 0.00 0.00 0.00 55.97 57.07 2k4a s LYS 2 Cb 0.00 0.41 0.05 0.00 0.00 0.00 0.00 37.83 38.28 2k4a s LYS 2 CO 0.00 -0.39 0.86 -0.11 0.00 0.00 0.00 175.35 175.71 2k4a n LEU 3 N 5.41 0.65 0.00 2.77 7.94 0.11 -3.92 117.00 129.96 2k4a n LEU 3 Ca -0.07 -1.14 0.00 0.00 -1.11 0.00 0.00 56.01 53.69 2k4a n LEU 3 Cb 0.50 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2k4a n LEU 3 CO 0.01 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 2k4a n GLY 4 N -0.30 0.30 3.19 -3.96 0.00 -1.01 -4.40 105.19 99.02 2k4a n GLY 4 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.07 1.61 1.02 -0.88 -0.13 119.74 122.04 2k4a s LYS 5 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2k4a s LYS 5 Cb 0.00 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 2k4a s LYS 5 CO 0.00 -0.22 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.98 2k4a s LEU 6 N -2.40 1.17 -0.16 3.17 0.20 0.41 -0.85 118.68 120.22 2k4a s LEU 6 Ca -0.01 -0.18 -0.14 0.00 0.69 0.00 0.00 54.13 54.48 2k4a s LEU 6 Cb 0.01 -0.60 -0.05 0.00 -0.43 0.00 0.00 46.19 45.13 2k4a s LEU 6 CO -0.07 -0.09 0.31 0.00 -0.29 0.00 0.00 176.35 176.21 2k4a s GLN 7 N 1.31 4.26 0.13 1.98 0.00 -0.33 -0.17 119.66 126.85 2k4a s GLN 7 Ca -0.04 0.13 -0.11 0.00 -0.00 0.00 0.00 55.36 55.33 2k4a s GLN 7 Cb -0.14 -3.43 0.01 0.00 0.00 0.00 0.00 33.01 29.46 2k4a s GLN 7 CO -0.03 0.23 0.31 1.52 0.00 0.00 0.00 175.29 177.32 2k4a s TYR 8 N 0.48 0.12 -0.26 9.60 -0.85 -1.16 0.15 117.35 125.44 2k4a s TYR 8 Ca 0.17 -0.49 -0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2k4a s TYR 8 Cb -0.13 0.07 0.09 0.00 0.38 0.00 0.00 41.96 42.36 2k4a s TYR 8 CO 0.04 -0.68 0.11 -1.54 -1.52 0.00 0.00 175.55 171.96 2k4a s SER 9 N -2.88 3.31 -0.11 -0.18 1.04 0.21 -2.35 113.70 112.73 2k4a s SER 9 Ca 0.09 -1.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.30 2k4a s SER 9 Cb 0.03 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2k4a s SER 9 CO -0.07 -0.40 0.10 -0.76 0.98 0.00 0.00 173.24 173.09 2k4a s LEU 10 N 2.00 4.15 0.00 2.42 1.43 0.24 -2.82 118.68 126.10 2k4a s LEU 10 Ca 0.07 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2k4a s LEU 10 Cb -0.16 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 2k4a s LEU 10 CO -0.26 0.40 0.02 -0.90 0.23 0.00 0.00 176.35 175.84 2k4a n ASP 11 N 2.05 0.58 -3.70 2.29 5.68 0.18 0.23 116.55 123.86 2k4a n ASP 11 Ca -0.20 -1.27 -0.11 0.00 -0.50 0.00 0.00 54.79 52.71 2k4a n ASP 11 Cb 0.55 0.16 -0.06 0.00 -1.14 0.00 0.00 41.12 40.62 2k4a n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2k4a s TYR 12 N -1.89 -0.15 -0.08 2.11 1.13 -1.26 0.14 117.35 117.35 2k4a s TYR 12 Ca 0.03 -0.05 0.04 0.00 -1.41 0.00 0.00 57.07 55.69 2k4a s TYR 12 Cb 0.00 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 2k4a s TYR 12 CO 0.02 -0.59 -0.20 0.34 -2.51 0.00 0.00 175.55 172.61 2k4a s ASP 13 N -2.37 2.61 0.00 -0.18 -1.08 0.13 -4.85 116.67 110.93 2k4a s ASP 13 Ca -0.01 -0.45 0.24 0.00 -0.52 0.00 0.00 52.55 51.80 2k4a s ASP 13 Cb 0.01 -1.05 0.29 0.00 -1.46 0.00 0.00 42.92 40.70 2k4a s ASP 13 CO -0.07 0.14 1.26 2.22 0.52 0.00 0.00 175.17 179.25 2k4a n PHE 14 N 3.44 0.00 -0.01 -5.34 1.16 -1.26 -2.02 117.46 113.43 2k4a n PHE 14 Ca -0.20 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.17 2k4a n PHE 14 Cb 0.53 -0.08 -0.13 0.00 -1.61 0.00 0.00 39.48 38.18 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k4a h GLN 15 N 1.22 0.21 0.00 3.97 3.07 -1.95 -3.36 115.11 118.27 2k4a h GLN 15 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 58.65 58.37 2k4a h GLN 15 Cb 0.59 0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.29 2k4a h GLN 15 CO 0.00 1.18 -0.91 -2.95 0.09 0.00 0.00 178.83 176.23 2k4a h ASN 16 N -0.28 0.00 -4.09 0.06 7.08 -2.02 -3.49 115.58 112.84 2k4a h ASN 16 Ca -0.36 -0.04 -0.07 0.00 -3.08 0.00 0.00 56.30 52.75 2k4a h ASN 16 Cb 1.79 0.00 0.06 0.00 -2.08 0.00 0.00 38.32 38.09 2k4a h ASN 16 CO 0.02 0.02 -0.24 0.59 -2.08 0.00 0.00 177.43 175.74 2k4a n ASN 17 N -2.60 -4.30 -3.46 6.14 3.02 -1.06 -4.90 115.26 108.11 2k4a n ASN 17 Ca 0.01 -0.21 -0.11 0.00 -0.03 0.00 0.00 54.58 54.23 2k4a n ASN 17 Cb 0.53 -2.75 -0.02 0.00 -0.61 0.00 0.00 39.78 36.93 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 -3.39 1.23 -0.14 3.52 1.03 -0.86 -1.98 119.66 119.07 2k4a s GLN 18 Ca 0.13 -0.47 -0.04 0.00 0.04 0.00 0.00 55.36 55.02 2k4a s GLN 18 Cb -0.02 0.56 -0.03 0.00 0.03 0.00 0.00 33.01 33.55 2k4a s GLN 18 CO 0.34 -0.54 0.01 -0.51 -2.54 0.00 0.00 175.29 172.05 2k4a s LEU 19 N -2.72 3.57 -0.61 2.60 1.43 0.62 0.23 118.68 123.80 2k4a s LEU 19 Ca 0.02 0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 2k4a s LEU 19 Cb -0.01 -1.86 0.08 0.00 0.03 0.00 0.00 46.19 44.42 2k4a s LEU 19 CO -0.11 0.24 0.84 -0.22 0.23 0.00 0.00 176.35 177.33 2k4a s LEU 20 N -0.04 4.73 -0.42 1.79 1.98 0.38 0.79 118.68 127.89 2k4a s LEU 20 Ca 0.04 -1.04 -0.19 0.00 -2.89 0.00 0.00 54.13 50.05 2k4a s LEU 20 Cb -0.13 -2.43 0.02 0.00 0.66 0.00 0.00 46.19 44.31 2k4a s LEU 20 CO 0.02 -1.25 0.53 -0.69 -1.89 0.00 0.00 176.35 173.07 2k4a s VAL 21 N 3.45 4.97 -0.27 1.68 1.01 0.53 0.48 120.40 132.26 2k4a s VAL 21 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2k4a s VAL 21 Cb -0.19 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2k4a s VAL 21 CO 0.10 -0.48 -0.08 -0.83 0.00 0.00 0.00 175.10 173.81 2k4a s GLY 22 N 1.89 1.68 -0.26 4.51 0.00 -1.13 0.18 107.32 114.19 2k4a s GLY 22 Ca 0.17 -1.73 -0.10 0.00 0.00 0.00 0.00 44.72 43.07 2k4a s GLY 22 CO 0.16 0.62 0.14 -0.26 0.00 0.00 0.00 173.10 173.76 2k4a s ILE 23 N 1.17 5.00 0.05 0.90 -0.00 -1.10 0.64 121.20 127.85 2k4a s ILE 23 Ca -0.07 0.06 -0.31 0.00 -0.00 0.00 0.00 60.65 60.34 2k4a s ILE 23 Cb -0.19 -3.36 -0.17 0.00 -0.00 0.00 0.00 42.46 38.74 2k4a s ILE 23 CO -0.04 0.30 1.44 0.40 -0.00 0.00 0.00 174.94 177.04 2k4a h ILE 24 N 5.35 0.00 -1.65 8.37 2.04 0.11 -2.34 117.51 129.39 2k4a h ILE 24 Ca -0.36 -0.01 0.26 0.00 1.00 0.00 0.00 64.86 65.74 2k4a h ILE 24 Cb 1.18 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.12 2k4a h ILE 24 CO 0.58 0.00 0.75 0.00 0.00 0.00 0.00 178.15 179.48 2k4a s GLN 25 N -5.38 0.50 0.19 2.37 -2.07 -1.13 -0.55 119.66 113.60 2k4a s GLN 25 Ca -0.16 -0.24 0.09 0.00 -1.82 0.00 0.00 55.36 53.23 2k4a s GLN 25 Cb 0.02 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 2k4a s GLN 25 CO 0.48 -0.22 -0.08 0.00 -1.32 0.00 0.00 175.29 174.15 2k4a s ALA 26 N -2.60 2.98 -0.04 2.60 0.00 -1.21 -1.18 121.76 122.31 2k4a s ALA 26 Ca 0.11 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 2k4a s ALA 26 Cb 0.01 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2k4a s ALA 26 CO -0.04 0.44 0.11 0.00 0.00 0.00 0.00 175.76 176.27 2k4a s ALA 27 N -1.81 -0.25 -0.20 0.00 0.00 -0.03 -3.71 121.76 115.76 2k4a s ALA 27 Ca 0.26 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 2k4a s ALA 27 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2k4a s ALA 27 CO 0.16 -0.07 0.17 0.39 0.00 0.00 0.00 175.76 176.41 2k4a n GLU 28 N 3.22 -0.85 -3.40 0.00 1.02 -0.50 -2.06 120.64 118.06 2k4a n GLU 28 Ca -0.15 0.15 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 2k4a n GLU 28 Cb 0.58 -2.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.19 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 -3.05 4.31 0.70 -4.62 1.43 -1.04 -3.20 118.68 113.22 2k4a s LEU 29 Ca 0.03 1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 2k4a s LEU 29 Cb -0.00 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.93 2k4a s LEU 29 CO 0.13 0.08 1.12 -2.65 0.23 0.00 0.00 176.35 175.27 2k4a n PRO 30 N 0.66 0.70 -3.21 1.29 -0.02 -1.26 -4.83 135.00 128.32 2k4a n PRO 30 Ca -0.05 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 2k4a n PRO 30 Cb 0.52 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.69 3.50 -0.04 3.55 0.00 -1.26 -4.55 121.76 121.27 2k4a s ALA 31 Ca 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 2k4a s ALA 31 Cb -0.35 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2k4a s ALA 31 CO 0.46 -0.30 -0.04 1.28 0.00 0.00 0.00 175.76 177.17 2k4a n LEU 32 N 4.40 2.02 -4.76 0.00 7.99 0.36 -4.86 117.00 122.16 2k4a n LEU 32 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.62 2k4a n LEU 32 Cb 0.51 -0.12 0.04 0.00 -0.11 0.00 0.00 43.42 43.74 2k4a n LEU 32 CO 0.43 0.39 0.78 -0.62 -1.51 0.00 0.00 177.39 176.86 2k4a s ASP 33 N -4.69 5.16 -0.77 -1.43 -1.08 0.49 -4.84 116.67 109.50 2k4a s ASP 33 Ca -0.05 2.19 -0.10 0.00 -0.52 0.00 0.00 52.55 54.08 2k4a s ASP 33 Cb 0.01 -2.58 -0.08 0.00 -1.46 0.00 0.00 42.92 38.82 2k4a s ASP 33 CO 0.07 -1.60 1.95 0.80 0.52 0.00 0.00 175.17 176.91 2k4a n MET 34 N -1.96 1.70 0.00 4.34 0.00 -1.26 -3.36 117.12 116.58 2k4a n MET 34 Ca 0.12 -1.45 0.00 0.00 -0.00 0.00 0.00 57.70 56.37 2k4a n MET 34 Cb 0.51 -2.52 0.00 0.00 0.00 0.00 0.00 33.22 31.21 2k4a n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k4a n GLY 35 N 3.99 0.00 4.22 -5.12 0.00 -1.26 -4.98 105.19 102.04 2k4a n GLY 35 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.45 3.58 -0.02 0.00 -1.21 -4.90 105.19 102.19 2k4a n GLY 36 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.24 0.00 0.29 2.61 -4.23 -1.25 -4.86 115.64 104.95 2k4a s THR 37 Ca 0.74 -1.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.68 2k4a s THR 37 Cb -0.41 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 70.79 2k4a s THR 37 CO 0.91 0.00 0.62 -0.44 -0.54 0.00 0.00 174.62 175.17 2k4a s SER 38 N -3.17 -0.05 -0.76 3.99 0.01 -1.26 0.19 113.70 112.65 2k4a s SER 38 Ca 0.26 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2k4a s SER 38 Cb -0.02 0.69 0.30 0.00 0.21 0.00 0.00 66.02 67.20 2k4a s SER 38 CO 0.17 -1.32 1.10 0.47 0.41 0.00 0.00 173.24 174.06 2k4a n ASP 39 N -0.67 4.99 -4.63 2.44 9.92 -1.26 -0.49 116.55 126.85 2k4a n ASP 39 Ca -0.03 -3.55 -0.43 0.00 -0.53 0.00 0.00 54.79 50.25 2k4a n ASP 39 Cb 0.60 -0.82 -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 -3.11 3.86 -0.11 -0.24 0.04 -1.19 -0.68 135.00 133.57 2k4a s PRO 40 Ca 0.41 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2k4a s PRO 40 Cb 0.18 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2k4a s PRO 40 CO -0.04 -1.20 -0.23 1.52 0.04 0.00 0.00 177.00 177.09 2k4a s TYR 41 N 4.64 2.57 -0.17 0.56 -0.85 0.37 -3.61 117.35 120.87 2k4a s TYR 41 Ca 0.60 -1.12 -0.29 0.00 -0.52 0.00 0.00 57.07 55.73 2k4a s TYR 41 Cb -0.18 -1.73 -0.00 0.00 0.38 0.00 0.00 41.96 40.43 2k4a s TYR 41 CO 0.25 -0.47 1.09 0.14 -1.52 0.00 0.00 175.55 175.04 2k4a s VAL 42 N 0.47 4.60 -0.49 -3.49 -7.23 -1.26 0.76 120.40 113.76 2k4a s VAL 42 Ca -0.16 1.91 -0.08 0.00 -1.81 0.00 0.00 61.98 61.84 2k4a s VAL 42 Cb -0.17 -4.23 0.13 0.00 0.56 0.00 0.00 36.38 32.67 2k4a s VAL 42 CO 0.06 -0.10 0.35 -1.59 -0.31 0.00 0.00 175.10 173.51 2k4a s LYS 43 N 2.81 2.46 0.16 4.82 -2.85 0.60 -2.96 119.74 124.78 2k4a s LYS 43 Ca 0.48 -1.88 -0.31 0.00 -1.00 0.00 0.00 55.97 53.26 2k4a s LYS 43 Cb -0.18 -3.88 -0.09 0.00 -2.06 0.00 0.00 37.83 31.62 2k4a s LYS 43 CO 0.12 -1.18 1.50 0.14 0.10 0.00 0.00 175.35 176.04 2k4a s VAL 44 N 1.13 2.82 0.17 1.79 -7.23 -1.21 -2.57 120.40 115.29 2k4a s VAL 44 Ca 0.08 0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 60.84 2k4a s VAL 44 Cb -0.24 -3.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2k4a s VAL 44 CO -0.02 0.05 0.10 -0.36 -0.31 0.00 0.00 175.10 174.56 2k4a s PHE 45 N 0.96 1.04 0.30 2.82 0.08 0.14 -4.02 117.98 119.29 2k4a s PHE 45 Ca 0.67 -1.31 0.02 0.00 0.12 0.00 0.00 56.93 56.43 2k4a s PHE 45 Cb -0.42 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 2k4a s PHE 45 CO 0.33 -0.58 0.11 -0.51 -0.10 0.00 0.00 175.22 174.47 2k4a s LEU 46 N -3.11 1.79 0.00 -0.37 2.01 -1.26 0.50 118.68 118.23 2k4a s LEU 46 Ca 0.32 -1.46 0.00 0.00 0.01 0.00 0.00 54.13 53.01 2k4a s LEU 46 Cb 0.07 -0.03 0.00 0.00 0.01 0.00 0.00 46.19 46.24 2k4a s LEU 46 CO 0.07 -0.77 0.00 0.00 1.01 0.00 0.00 176.35 176.67 2k4a n LEU 47 N -0.58 0.00 -0.64 1.79 -0.00 -0.91 -4.38 117.00 112.28 2k4a n LEU 47 Ca -0.01 0.00 0.48 0.00 -0.00 0.00 0.00 56.01 56.48 2k4a n LEU 47 Cb 0.66 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.82 2k4a n LEU 47 CO 0.38 -0.63 1.34 -2.65 -0.00 0.00 0.00 177.39 175.82 2k4a n PRO 48 N -0.59 -0.00 -0.29 1.47 -0.02 -1.26 -0.38 135.00 133.93 2k4a n PRO 48 Ca 0.00 0.98 -0.03 0.00 -2.02 0.00 0.00 63.50 62.44 2k4a n PRO 48 Cb 0.00 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.25 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 -1.25 -4.36 2.55 3.58 -1.97 -3.44 116.42 111.53 2k4a h ASP 49 Ca 0.85 0.27 -0.11 0.00 0.42 0.00 0.00 57.03 58.46 2k4a h ASP 49 Cb 3.40 0.65 -0.01 0.00 1.72 0.00 0.00 39.33 45.09 2k4a h ASP 49 CO -0.02 -0.30 -0.13 0.29 -2.88 0.00 0.00 179.24 176.20 2k4a n LYS 50 N -5.46 -2.59 -2.29 0.28 4.76 0.49 -4.82 118.16 108.53 2k4a n LYS 50 Ca 0.07 0.26 -0.40 0.00 -2.87 0.00 0.00 58.31 55.38 2k4a n LYS 50 Cb 0.38 -4.78 0.03 0.00 -1.84 0.00 0.00 35.03 28.82 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 -2.56 3.99 0.00 1.97 5.02 -1.26 -4.85 118.16 120.47 2k4a n LYS 51 Ca -0.06 -4.11 0.00 0.00 -2.02 0.00 0.00 58.31 52.12 2k4a n LYS 51 Cb 0.53 -2.36 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 -0.32 0.00 -3.33 1.97 2.85 -1.26 -4.45 118.16 113.63 2k4a n LYS 52 Ca 0.50 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.51 2k4a n LYS 52 Cb 0.26 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.55 2k4a n LYS 52 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k4a n LYS 53 N 0.00 0.22 -3.68 -1.58 4.81 -1.26 -4.58 118.16 112.08 2k4a n LYS 53 Ca 0.00 -3.07 -0.32 0.00 -0.87 0.00 0.00 58.31 54.05 2k4a n LYS 53 Cb 0.00 -1.65 -0.05 0.00 0.02 0.00 0.00 35.03 33.35 2k4a n LYS 53 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2k4a s PHE 54 N 0.12 3.51 -0.12 5.64 2.19 -1.26 -5.04 117.98 123.02 2k4a s PHE 54 Ca 0.33 0.58 -0.00 0.00 0.33 0.00 0.00 56.93 58.16 2k4a s PHE 54 Cb 0.04 -2.01 0.02 0.00 -1.31 0.00 0.00 43.02 39.76 2k4a s PHE 54 CO -0.19 0.48 -0.10 -2.00 1.83 0.00 0.00 175.22 175.25 2k4a s GLU 55 N -2.41 1.77 0.75 10.12 2.12 -1.26 -3.36 118.70 126.43 2k4a s GLU 55 Ca 0.38 -0.35 -0.12 0.00 0.36 0.00 0.00 54.97 55.24 2k4a s GLU 55 Cb -0.13 -1.74 0.04 0.00 0.26 0.00 0.00 34.13 32.57 2k4a s GLU 55 CO 0.23 -0.25 1.13 0.95 -0.54 0.00 0.00 175.26 176.78 2k4a s THR 56 N 1.61 2.79 -0.02 -1.70 -4.23 -1.16 -4.99 115.64 107.95 2k4a s THR 56 Ca 0.04 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 2k4a s THR 56 Cb -0.13 -3.25 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 2k4a s THR 56 CO -0.09 -0.33 1.51 -0.75 -0.54 0.00 0.00 174.62 174.42 2k4a s LYS 57 N -5.46 4.23 -0.55 3.99 2.20 -1.26 -4.79 119.74 118.10 2k4a s LYS 57 Ca 0.60 2.07 -0.27 0.00 -0.36 0.00 0.00 55.97 58.01 2k4a s LYS 57 Cb -0.11 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 32.40 2k4a s LYS 57 CO 0.50 -0.70 2.45 1.55 -0.36 0.00 0.00 175.35 178.79 2k4a n VAL 58 N 4.98 -0.06 -2.28 4.02 3.14 -1.26 -4.75 118.33 122.11 2k4a n VAL 58 Ca 0.15 -0.69 -0.34 0.00 -2.96 0.00 0.00 64.34 60.50 2k4a n VAL 58 Cb 0.43 -2.51 -0.04 0.00 -1.06 0.00 0.00 33.84 30.66 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 11.73 2.22 0.29 1.45 0.09 -1.24 -4.94 115.29 124.89 2k4a s HIS 59 Ca 1.03 -0.23 -0.29 0.00 -0.00 0.00 0.00 55.06 55.56 2k4a s HIS 59 Cb -0.32 -4.33 -0.10 0.00 -0.00 0.00 0.00 32.58 27.82 2k4a s HIS 59 CO 0.29 -1.65 1.44 -0.98 -0.00 0.00 0.00 174.74 173.84 2k4a s ARG 60 N 5.80 4.24 -0.77 1.40 1.04 -1.26 -3.14 118.95 126.26 2k4a s ARG 60 Ca 0.61 2.36 -0.02 0.00 -1.04 0.00 0.00 55.73 57.64 2k4a s ARG 60 Cb -0.01 -3.07 0.00 0.00 -2.04 0.00 0.00 34.95 29.83 2k4a s ARG 60 CO 0.03 -0.42 0.64 1.63 -0.04 0.00 0.00 175.30 177.14 2k4a n LYS 61 N 1.74 -1.51 -3.64 3.89 4.76 -0.35 -4.91 118.16 118.13 2k4a n LYS 61 Ca 0.05 1.05 -0.04 0.00 -2.87 0.00 0.00 58.31 56.50 2k4a n LYS 61 Cb 0.40 -3.46 -0.07 0.00 -1.84 0.00 0.00 35.03 30.06 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 -2.92 0.00 -0.82 -0.18 -1.32 0.36 -4.85 115.64 105.92 2k4a s THR 62 Ca 0.02 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.59 2k4a s THR 62 Cb -0.00 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.21 2k4a s THR 62 CO 0.85 0.00 1.15 0.18 -2.21 0.00 0.00 174.62 174.59 2k4a n LEU 63 N 3.46 2.62 -2.72 9.08 4.77 -1.26 -4.40 117.00 128.55 2k4a n LEU 63 Ca -0.17 -1.86 -0.08 0.00 -0.03 0.00 0.00 56.01 53.86 2k4a n LEU 63 Cb 0.57 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2k4a n LEU 63 CO 0.02 0.64 0.33 -3.20 -1.33 0.00 0.00 177.39 173.85 2k4a n ASN 64 N 0.36 -1.21 -4.86 -1.43 5.15 -1.26 -1.42 115.26 110.60 2k4a n ASN 64 Ca 0.09 -2.73 -0.33 0.00 -0.60 0.00 0.00 54.58 51.01 2k4a n ASN 64 Cb 0.37 0.79 -0.06 0.00 -0.53 0.00 0.00 39.78 40.36 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 -0.55 3.89 0.17 1.20 0.04 -1.24 -4.95 135.00 133.55 2k4a s PRO 65 Ca 0.24 0.40 0.08 0.00 0.04 0.00 0.00 61.00 61.76 2k4a s PRO 65 Cb 0.39 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2k4a s PRO 65 CO -0.06 0.35 -0.07 0.14 0.04 0.00 0.00 177.00 177.41 2k4a s VAL 66 N -1.71 3.37 0.00 -0.36 -7.23 -1.26 -3.31 120.40 109.89 2k4a s VAL 66 Ca 0.45 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2k4a s VAL 66 Cb -0.12 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2k4a s VAL 66 CO 0.20 -0.08 0.00 0.33 -0.31 0.00 0.00 175.10 175.25 2k4a n PHE 67 N 0.10 -0.33 -3.08 2.82 -0.00 -0.36 -5.01 117.46 111.60 2k4a n PHE 67 Ca -0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.18 2k4a n PHE 67 Cb 0.55 0.07 0.04 0.00 -0.00 0.00 0.00 39.48 40.14 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 -1.53 -4.99 -4.76 -2.13 5.15 0.29 -4.95 115.26 102.34 2k4a n ASN 68 Ca 0.00 -0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 53.26 2k4a n ASN 68 Cb 0.00 -3.69 -0.02 0.00 -0.53 0.00 0.00 39.78 35.53 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 -5.70 4.35 -0.14 1.20 2.02 -1.12 -4.66 118.70 114.65 2k4a s GLU 69 Ca 0.33 2.21 -0.16 0.00 0.02 0.00 0.00 54.97 57.37 2k4a s GLU 69 Cb -0.15 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2k4a s GLU 69 CO 0.41 -0.23 0.39 -1.14 0.02 0.00 0.00 175.26 174.71 2k4a s GLN 70 N -1.33 4.29 -0.24 1.61 -0.44 -1.26 -2.71 119.66 119.58 2k4a s GLN 70 Ca 0.52 0.28 -0.05 0.00 -2.50 0.00 0.00 55.36 53.60 2k4a s GLN 70 Cb -0.40 -3.44 -0.01 0.00 -1.64 0.00 0.00 33.01 27.52 2k4a s GLN 70 CO 0.49 0.18 0.00 0.12 0.50 0.00 0.00 175.29 176.58 2k4a s PHE 71 N 0.61 3.02 -0.76 1.67 5.36 0.49 -4.97 117.98 123.40 2k4a s PHE 71 Ca 0.21 -0.82 -0.25 0.00 -0.96 0.00 0.00 56.93 55.11 2k4a s PHE 71 Cb -0.14 -2.16 0.05 0.00 -0.34 0.00 0.00 43.02 40.43 2k4a s PHE 71 CO 0.07 -0.51 1.22 0.99 -1.46 0.00 0.00 175.22 175.54 2k4a s THR 72 N 1.51 3.92 -1.22 0.12 2.01 -1.26 -0.34 115.64 120.38 2k4a s THR 72 Ca 0.05 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 2k4a s THR 72 Cb -0.15 -4.88 -0.01 0.00 0.01 0.00 0.00 72.50 67.47 2k4a s THR 72 CO -0.01 -1.76 1.93 0.33 -0.69 0.00 0.00 174.62 174.42 2k4a n PHE 73 N 8.82 3.46 -1.57 4.92 -0.00 0.24 -4.89 117.46 128.43 2k4a n PHE 73 Ca 0.06 -2.37 -0.23 0.00 -0.00 0.00 0.00 57.45 54.91 2k4a n PHE 73 Cb 0.48 -2.45 -0.05 0.00 -0.00 0.00 0.00 39.48 37.46 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 4.64 1.81 0.00 -4.13 -0.14 -1.26 -0.28 119.74 120.39 2k4a s LYS 74 Ca 0.56 0.85 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 2k4a s LYS 74 Cb 0.07 -4.70 0.00 0.00 -1.68 0.00 0.00 37.83 31.52 2k4a s LYS 74 CO 0.06 -3.96 0.00 0.28 -0.76 0.00 0.00 175.35 170.97 2k4a n VAL 75 N 8.45 0.00 -1.80 3.17 0.31 -0.84 -4.80 118.33 122.83 2k4a n VAL 75 Ca 0.42 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.35 2k4a n VAL 75 Cb 0.48 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 3.73 0.33 5.55 0.02 -0.98 -3.26 135.00 140.39 2k4a s PRO 76 Ca 0.00 2.44 0.10 0.00 0.02 0.00 0.00 61.00 63.56 2k4a s PRO 76 Cb 0.00 -2.69 0.90 0.00 0.02 0.00 0.00 34.50 32.73 2k4a s PRO 76 CO 0.00 -0.79 1.73 0.10 -0.33 0.00 0.00 177.00 177.72 2k4a h TYR 77 N 2.40 0.99 -0.88 6.54 -0.00 -1.88 0.58 116.97 124.72 2k4a h TYR 77 Ca -0.51 0.03 0.11 0.00 0.00 0.00 0.00 58.73 58.36 2k4a h TYR 77 Cb 1.26 -0.28 -0.08 0.00 0.00 0.00 0.00 36.73 37.63 2k4a h TYR 77 CO 0.50 0.07 0.52 0.77 -0.00 0.00 0.00 178.16 180.02 2k4a h SER 78 N 0.57 0.74 -0.05 0.10 0.02 -2.00 -2.08 113.55 110.86 2k4a h SER 78 Ca 0.64 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.57 2k4a h SER 78 Cb 1.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k4a h SER 78 CO -0.46 0.41 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.07 2k4a h GLU 79 N 0.85 0.25 -0.85 3.45 4.39 -0.32 -3.30 114.58 119.04 2k4a h GLU 79 Ca 0.43 -0.20 0.27 0.00 0.34 0.00 0.00 59.36 60.20 2k4a h GLU 79 Cb 0.42 0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 28.95 2k4a h GLU 79 CO -0.26 0.85 0.15 -0.11 -1.16 0.00 0.00 179.01 178.49 2k4a n LEU 80 N -4.51 0.02 -0.24 1.33 0.00 0.39 -2.13 117.00 111.86 2k4a n LEU 80 Ca -0.09 1.44 -0.06 0.00 0.00 0.00 0.00 56.01 57.30 2k4a n LEU 80 Cb 0.46 -0.58 -0.06 0.00 0.00 0.00 0.00 43.42 43.24 2k4a n LEU 80 CO 0.40 -1.51 0.33 0.61 0.00 0.00 0.00 177.39 177.22 2k4a n GLY 81 N -1.37 -1.81 0.60 -3.96 0.00 -1.12 0.90 105.19 98.43 2k4a n GLY 81 Ca 0.24 0.74 0.03 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.14 0.77 3.94 -0.02 0.00 -0.91 -1.65 105.19 106.18 2k4a n GLY 82 Ca 0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.63 3.14 -0.20 1.61 3.01 0.26 -5.01 119.74 120.92 2k4a s LYS 83 Ca 0.15 -0.98 -0.04 0.00 -1.01 0.00 0.00 55.97 54.09 2k4a s LYS 83 Cb 0.09 -2.75 0.07 0.00 -1.01 0.00 0.00 37.83 34.23 2k4a s LYS 83 CO 0.08 0.25 0.08 0.99 0.51 0.00 0.00 175.35 177.26 2k4a s THR 84 N -2.12 0.07 0.26 2.17 2.01 -1.26 -1.17 115.64 115.59 2k4a s THR 84 Ca 0.39 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2k4a s THR 84 Cb -0.08 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 2k4a s THR 84 CO 0.29 -0.34 0.89 -1.48 -0.69 0.00 0.00 174.62 173.29 2k4a s LEU 85 N 2.06 4.49 -0.08 4.42 2.34 -1.23 -2.14 118.68 128.54 2k4a s LEU 85 Ca 0.03 1.80 0.01 0.00 0.06 0.00 0.00 54.13 56.03 2k4a s LEU 85 Cb -0.16 -3.71 0.02 0.00 -0.56 0.00 0.00 46.19 41.77 2k4a s LEU 85 CO -0.13 0.07 -0.11 0.68 -1.06 0.00 0.00 176.35 175.79 2k4a s VAL 86 N -1.38 1.15 -0.42 1.48 -7.23 0.18 -2.64 120.40 111.55 2k4a s VAL 86 Ca 0.44 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 2k4a s VAL 86 Cb -0.22 -1.08 0.08 0.00 0.56 0.00 0.00 36.38 35.72 2k4a s VAL 86 CO 0.27 0.37 0.25 -0.32 -0.31 0.00 0.00 175.10 175.36 2k4a s MET 87 N 0.98 2.55 -0.19 4.82 0.00 0.68 0.26 119.30 128.41 2k4a s MET 87 Ca -0.08 -1.49 -0.07 0.00 0.00 0.00 0.00 55.69 54.05 2k4a s MET 87 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 34.83 30.89 2k4a s MET 87 CO -0.00 -0.96 0.05 0.00 0.00 0.00 0.00 175.02 174.11 2k4a s ALA 88 N 1.40 3.30 -0.40 4.11 0.00 -1.06 -0.59 121.76 128.51 2k4a s ALA 88 Ca 0.03 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 2k4a s ALA 88 Cb -0.23 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2k4a s ALA 88 CO 0.01 0.07 0.44 0.54 0.00 0.00 0.00 175.76 176.83 2k4a s VAL 89 N 0.58 5.08 -0.12 0.00 0.11 0.17 0.22 120.40 126.45 2k4a s VAL 89 Ca 0.02 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.83 2k4a s VAL 89 Cb -0.13 -4.00 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 2k4a s VAL 89 CO 0.01 -0.35 0.12 -0.47 -3.33 0.00 0.00 175.10 171.09 2k4a s TYR 90 N 2.18 3.53 0.45 1.54 5.04 0.23 -2.48 117.35 127.83 2k4a s TYR 90 Ca 0.13 0.47 -0.08 0.00 -2.44 0.00 0.00 57.07 55.15 2k4a s TYR 90 Cb -0.17 -1.92 -0.05 0.00 0.35 0.00 0.00 41.96 40.17 2k4a s TYR 90 CO 0.14 0.68 0.79 0.34 -1.34 0.00 0.00 175.55 176.16 2k4a s ASP 91 N -0.96 6.39 -0.35 4.32 2.15 -0.70 0.14 116.67 127.67 2k4a s ASP 91 Ca 0.14 1.06 0.15 0.00 0.43 0.00 0.00 52.55 54.34 2k4a s ASP 91 Cb -0.12 -2.30 0.45 0.00 -0.30 0.00 0.00 42.92 40.65 2k4a s ASP 91 CO 0.04 -0.50 0.97 0.33 -0.17 0.00 0.00 175.17 175.83 2k4a n PHE 92 N -1.79 1.55 -0.48 -5.34 7.35 0.14 -4.49 117.46 114.41 2k4a n PHE 92 Ca 0.02 -2.90 0.39 0.00 -0.76 0.00 0.00 57.45 54.20 2k4a n PHE 92 Cb 0.54 -0.33 0.70 0.00 0.35 0.00 0.00 39.48 40.75 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 2.92 0.16 -3.59 -2.13 2.03 -1.89 -3.43 116.42 110.48 2k4a h ASP 93 Ca -0.02 0.07 -0.29 0.00 -0.73 0.00 0.00 57.03 56.07 2k4a h ASP 93 Cb 1.12 0.06 0.06 0.00 -0.83 0.00 0.00 39.33 39.74 2k4a h ASP 93 CO 0.57 -0.08 -0.45 0.54 -1.03 0.00 0.00 179.24 178.79 2k4a n ARG 94 N -4.40 -4.04 0.04 4.15 1.74 -1.26 -4.83 116.66 108.06 2k4a n ARG 94 Ca 0.36 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 2k4a n ARG 94 Cb 1.49 -4.96 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 -4.19 -1.07 -3.92 -1.55 7.35 -1.26 -5.15 117.46 107.67 2k4a n PHE 95 Ca -0.06 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 2k4a n PHE 95 Cb 0.58 0.68 0.00 0.00 0.35 0.00 0.00 39.48 41.09 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k4a n SER 96 N -2.71 1.43 -4.56 -2.13 3.41 -1.26 -5.04 113.62 102.77 2k4a n SER 96 Ca 0.00 -0.92 -0.22 0.00 -0.26 0.00 0.00 58.87 57.47 2k4a n SER 96 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k4a s LYS 97 N -1.76 2.05 0.26 4.33 -0.14 -1.26 -4.87 119.74 118.35 2k4a s LYS 97 Ca 0.00 0.34 -0.30 0.00 -1.36 0.00 0.00 55.97 54.65 2k4a s LYS 97 Cb 0.00 -4.83 -0.14 0.00 -1.68 0.00 0.00 37.83 31.19 2k4a s LYS 97 CO 0.00 -3.84 1.23 0.72 -0.76 0.00 0.00 175.35 172.70 2k4a n HIS 98 N 16.38 1.80 -4.32 3.18 8.25 -1.26 -4.98 115.22 134.26 2k4a n HIS 98 Ca 0.41 0.58 -0.23 0.00 -0.26 0.00 0.00 57.72 58.22 2k4a n HIS 98 Cb 0.46 -2.36 -0.08 0.00 1.12 0.00 0.00 29.99 29.14 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 -0.13 4.40 -0.78 0.41 2.15 -1.26 -4.91 116.67 116.56 2k4a s ASP 99 Ca 0.63 -0.70 -0.20 0.00 0.43 0.00 0.00 52.55 52.71 2k4a s ASP 99 Cb -0.68 -0.76 0.11 0.00 -0.30 0.00 0.00 42.92 41.29 2k4a s ASP 99 CO 0.56 0.00 0.99 -0.63 -0.17 0.00 0.00 175.17 175.92 2k4a s ILE 100 N -2.35 4.64 0.31 4.11 1.01 -1.26 -1.73 121.20 125.93 2k4a s ILE 100 Ca 0.31 -1.11 0.07 0.00 0.00 0.00 0.00 60.65 59.92 2k4a s ILE 100 Cb -0.06 -4.69 0.32 0.00 0.01 0.00 0.00 42.46 38.04 2k4a s ILE 100 CO 0.19 -1.41 1.65 0.16 0.00 0.00 0.00 174.94 175.53 2k4a h ILE 101 N 5.86 0.28 -1.46 2.92 -2.65 -1.74 -3.35 117.51 117.37 2k4a h ILE 101 Ca -0.07 -0.08 0.33 0.00 1.03 0.00 0.00 64.86 66.07 2k4a h ILE 101 Cb 1.05 0.03 -0.12 0.00 -2.05 0.00 0.00 36.82 35.74 2k4a h ILE 101 CO 1.12 0.04 0.84 -0.83 0.03 0.00 0.00 178.15 179.35 2k4a s GLY 102 N -4.06 -0.41 -0.30 0.16 0.00 -1.22 -2.35 107.32 99.15 2k4a s GLY 102 Ca -0.11 0.67 -0.08 0.00 0.00 0.00 0.00 44.72 45.20 2k4a s GLY 102 CO 0.78 0.35 0.65 -1.83 0.00 0.00 0.00 173.10 173.05 2k4a s GLU 103 N -2.40 0.56 0.69 2.90 -1.05 -0.53 0.44 118.70 119.32 2k4a s GLU 103 Ca 0.15 1.33 -0.01 0.00 -0.15 0.00 0.00 54.97 56.28 2k4a s GLU 103 Cb 0.05 0.79 0.10 0.00 -0.44 0.00 0.00 34.13 34.63 2k4a s GLU 103 CO -0.04 -0.29 0.95 -0.59 0.95 0.00 0.00 175.26 176.25 2k4a s PHE 104 N 2.88 1.96 -0.11 4.83 -0.12 0.24 -4.74 117.98 122.91 2k4a s PHE 104 Ca 0.00 -0.16 -0.32 0.00 -0.05 0.00 0.00 56.93 56.41 2k4a s PHE 104 Cb -0.12 -2.98 0.12 0.00 -0.63 0.00 0.00 43.02 39.41 2k4a s PHE 104 CO -0.19 -1.53 1.05 -1.59 -0.05 0.00 0.00 175.22 172.91 2k4a s LYS 105 N -5.08 0.55 -0.18 1.99 0.00 -1.26 -0.23 119.74 115.52 2k4a s LYS 105 Ca 0.64 -0.16 -0.13 0.00 0.00 0.00 0.00 55.97 56.33 2k4a s LYS 105 Cb -0.07 0.25 0.06 0.00 0.00 0.00 0.00 37.83 38.07 2k4a s LYS 105 CO 0.43 -0.23 0.46 0.54 0.00 0.00 0.00 175.35 176.55 2k4a s VAL 106 N -2.52 -0.01 0.01 1.79 0.11 -1.08 -5.03 120.40 113.66 2k4a s VAL 106 Ca 0.06 0.05 -0.32 0.00 -2.93 0.00 0.00 61.98 58.84 2k4a s VAL 106 Cb -0.01 -0.67 -0.11 0.00 -1.53 0.00 0.00 36.38 34.07 2k4a s VAL 106 CO -0.06 0.02 1.90 -0.81 -3.33 0.00 0.00 175.10 172.82 2k4a n PRO 107 N 3.73 2.56 0.10 1.54 -0.04 -1.26 -3.50 135.00 138.12 2k4a n PRO 107 Ca -0.19 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2k4a n PRO 107 Cb 0.56 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 2k4a n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4a h MET 108 N 9.55 -0.28 -1.06 0.54 2.86 -1.38 -1.99 114.93 123.17 2k4a h MET 108 Ca -0.49 0.02 0.29 0.00 -2.06 0.00 0.00 59.70 57.46 2k4a h MET 108 Cb 1.25 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.91 2k4a h MET 108 CO 0.94 -0.19 0.73 -0.97 1.06 0.00 0.00 176.91 178.48 2k4a h ASN 109 N -0.29 0.18 0.65 1.22 -1.24 -1.45 0.83 115.58 115.47 2k4a h ASN 109 Ca 0.02 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 56.99 2k4a h ASN 109 Cb 0.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2k4a h ASN 109 CO -0.08 0.04 -0.36 0.74 -1.29 0.00 0.00 177.43 176.48 2k4a h THR 110 N 0.16 0.97 -3.34 -3.57 2.02 -1.66 -3.42 112.91 104.08 2k4a h THR 110 Ca 0.54 -1.38 -0.57 0.00 0.77 0.00 0.00 66.41 65.77 2k4a h THR 110 Cb 1.82 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 69.99 2k4a h THR 110 CO -0.12 0.35 0.98 -0.69 0.37 0.00 0.00 175.52 176.41 2k4a s VAL 111 N -3.82 4.13 -0.96 3.16 1.01 0.29 -4.94 120.40 119.26 2k4a s VAL 111 Ca -0.01 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 2k4a s VAL 111 Cb 0.12 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2k4a s VAL 111 CO 0.69 -0.69 1.64 1.51 0.00 0.00 0.00 175.10 178.25 2k4a s ASP 112 N 2.92 5.96 -0.78 3.32 -4.77 -1.26 -4.87 116.67 117.19 2k4a s ASP 112 Ca 0.55 -1.10 -0.18 0.00 -3.30 0.00 0.00 52.55 48.51 2k4a s ASP 112 Cb -0.13 -2.57 -0.13 0.00 -1.09 0.00 0.00 42.92 39.00 2k4a s ASP 112 CO 0.27 -1.99 1.95 2.22 0.70 0.00 0.00 175.17 178.31 2k4a n PHE 113 N 10.86 1.67 -0.03 2.11 -1.74 -1.26 -4.24 117.46 124.83 2k4a n PHE 113 Ca 0.35 -1.79 0.01 0.00 -0.56 0.00 0.00 57.45 55.45 2k4a n PHE 113 Cb 0.49 -1.66 -0.10 0.00 1.52 0.00 0.00 39.48 39.74 2k4a n PHE 113 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k4a n GLY 114 N 4.34 -0.62 0.00 4.97 0.00 -1.26 -5.02 105.19 107.60 2k4a n GLY 114 Ca 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2k4a n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4a n HIS 115 N -2.20 0.00 -3.69 1.61 8.25 -1.26 -5.15 115.22 112.79 2k4a n HIS 115 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 2k4a n HIS 115 Cb 0.61 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.10 -0.87 1.59 -7.23 -1.26 -4.55 120.40 107.98 2k4a s VAL 116 Ca 0.00 0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 60.06 2k4a s VAL 116 Cb 0.00 -0.64 0.10 0.00 0.56 0.00 0.00 36.38 36.40 2k4a s VAL 116 CO 0.00 0.04 1.13 -0.89 -0.31 0.00 0.00 175.10 175.07 2k4a s THR 117 N 1.56 4.48 -0.12 5.32 2.01 0.64 -4.88 115.64 124.65 2k4a s THR 117 Ca -0.09 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.82 2k4a s THR 117 Cb -0.09 -4.80 -0.01 0.00 0.01 0.00 0.00 72.50 67.61 2k4a s THR 117 CO -0.13 -1.57 -0.14 -1.61 -0.69 0.00 0.00 174.62 170.48 2k4a s GLU 118 N 3.45 3.30 -0.11 4.92 2.02 -1.26 0.80 118.70 131.82 2k4a s GLU 118 Ca 0.32 -0.71 -0.32 0.00 0.02 0.00 0.00 54.97 54.28 2k4a s GLU 118 Cb -0.07 -2.58 0.12 0.00 0.10 0.00 0.00 34.13 31.70 2k4a s GLU 118 CO -0.04 0.23 1.10 -1.83 0.02 0.00 0.00 175.26 174.74 2k4a s GLU 119 N 0.29 0.51 -1.05 1.61 -1.05 -0.99 -5.02 118.70 113.00 2k4a s GLU 119 Ca -0.11 -0.20 -0.18 0.00 -0.15 0.00 0.00 54.97 54.34 2k4a s GLU 119 Cb -0.16 0.23 0.13 0.00 -0.44 0.00 0.00 34.13 33.89 2k4a s GLU 119 CO 0.06 -0.23 1.30 -1.58 0.95 0.00 0.00 175.26 175.76 2k4a s TRP 120 N -2.68 3.14 0.28 4.83 0.23 -1.26 -2.99 118.94 120.49 2k4a s TRP 120 Ca 0.08 -1.57 -0.30 0.00 -2.03 0.00 0.00 56.10 52.29 2k4a s TRP 120 Cb -0.01 -4.37 -0.10 0.00 0.03 0.00 0.00 33.47 29.02 2k4a s TRP 120 CO -0.06 -1.54 1.45 0.50 0.96 0.00 0.00 176.95 178.26 2k4a s ARG 121 N 2.72 4.24 0.50 4.98 6.06 0.76 -4.83 118.95 133.39 2k4a s ARG 121 Ca 0.39 2.36 -0.16 0.00 -2.50 0.00 0.00 55.73 55.83 2k4a s ARG 121 Cb -0.03 -3.07 -0.08 0.00 0.06 0.00 0.00 34.95 31.83 2k4a s ARG 121 CO -0.05 -0.43 0.95 0.16 -2.50 0.00 0.00 175.30 173.43 2k4a s ASP 122 N 0.18 6.61 -0.16 -2.12 -4.77 -1.26 0.15 116.67 115.30 2k4a s ASP 122 Ca 0.57 1.50 0.01 0.00 -3.30 0.00 0.00 52.55 51.33 2k4a s ASP 122 Cb -0.43 -2.48 0.01 0.00 -1.09 0.00 0.00 42.92 38.93 2k4a s ASP 122 CO 0.48 -0.56 -0.18 -0.76 0.70 0.00 0.00 175.17 174.85 2k4a s LEU 123 N -4.04 2.29 -0.03 2.11 1.43 0.81 -4.56 118.68 116.69 2k4a s LEU 123 Ca 0.58 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2k4a s LEU 123 Cb -0.10 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2k4a s LEU 123 CO 0.31 0.07 -0.23 0.00 0.23 0.00 0.00 176.35 176.73 2k4a s GLN 124 N 0.92 2.22 0.83 1.70 -2.07 -1.26 0.07 119.66 122.06 2k4a s GLN 124 Ca -0.04 -0.88 -0.12 0.00 -1.82 0.00 0.00 55.36 52.50 2k4a s GLN 124 Cb -0.15 -2.12 0.10 0.00 -1.09 0.00 0.00 33.01 29.75 2k4a s GLN 124 CO -0.03 0.57 1.16 -1.12 -1.32 0.00 0.00 175.29 174.55 2k4a s SER 125 N -0.61 3.57 -0.12 12.60 0.01 -1.25 -1.45 113.70 126.44 2k4a s SER 125 Ca 0.10 2.20 -0.04 0.00 1.31 0.00 0.00 55.95 59.52 2k4a s SER 125 Cb -0.10 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.61 2k4a s SER 125 CO -0.00 -2.67 0.13 0.00 0.41 0.00 0.00 173.24 171.10 2k4a s ALA 126 N -2.46 0.09 -0.99 1.44 0.00 -0.99 -4.55 121.76 114.31 2k4a s ALA 126 Ca 0.69 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 2k4a s ALA 126 Cb -0.24 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 2k4a s ALA 126 CO 0.53 -0.85 1.72 -1.21 0.00 0.00 0.00 175.76 175.96 2k4a s GLU 127 N 2.22 3.07 0.00 0.00 2.02 -1.26 -4.53 118.70 120.22 2k4a s GLU 127 Ca 0.04 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.28 2k4a s GLU 127 Cb -0.14 -5.23 0.03 0.00 0.10 0.00 0.00 34.13 28.90 2k4a s GLU 127 CO -0.07 -2.86 0.64 1.63 0.02 0.00 0.00 175.26 174.62