#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a n LYS 2 N 0.00 0.58 -0.00 3.49 -0.00 -1.26 -4.69 118.16 116.28 2k4a n LYS 2 Ca 0.00 -1.97 0.10 0.00 -0.00 0.00 0.00 58.31 56.45 2k4a n LYS 2 Cb 0.00 -1.45 -0.13 0.00 -0.00 0.00 0.00 35.03 33.44 2k4a n LYS 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2k4a n LEU 3 N 2.68 0.72 0.00 -5.58 7.94 0.79 -4.75 117.00 118.80 2k4a n LEU 3 Ca 0.16 -0.36 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 2k4a n LEU 3 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2k4a n LEU 3 CO -0.01 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 2k4a n GLY 4 N 1.43 0.17 3.13 -3.96 0.00 -1.13 -3.61 105.19 101.22 2k4a n GLY 4 Ca 0.02 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2k4a n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4a s LYS 5 N 0.00 0.42 -0.05 1.61 2.20 -0.03 -1.11 119.74 122.78 2k4a s LYS 5 Ca 0.00 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 2k4a s LYS 5 Cb 0.00 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2k4a s LYS 5 CO 0.00 -0.09 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.62 2k4a s LEU 6 N -0.70 1.68 -0.08 5.43 0.20 0.28 0.13 118.68 125.61 2k4a s LEU 6 Ca -0.08 -0.25 -0.11 0.00 0.69 0.00 0.00 54.13 54.38 2k4a s LEU 6 Cb -0.04 -0.72 -0.05 0.00 -0.43 0.00 0.00 46.19 44.95 2k4a s LEU 6 CO 0.01 0.05 0.26 -1.10 -0.29 0.00 0.00 176.35 175.29 2k4a s GLN 7 N 0.48 3.78 -0.03 1.98 -1.52 -0.10 0.16 119.66 124.40 2k4a s GLN 7 Ca -0.10 0.11 -0.27 0.00 -1.95 0.00 0.00 55.36 53.15 2k4a s GLN 7 Cb -0.13 -3.25 0.06 0.00 -0.22 0.00 0.00 33.01 29.47 2k4a s GLN 7 CO 0.02 0.64 0.60 1.52 -0.25 0.00 0.00 175.29 177.82 2k4a s TYR 8 N -0.75 -0.55 -0.26 0.91 1.13 -0.85 0.15 117.35 117.13 2k4a s TYR 8 Ca 0.18 0.90 -0.01 0.00 -1.41 0.00 0.00 57.07 56.74 2k4a s TYR 8 Cb -0.14 0.35 0.08 0.00 -1.10 0.00 0.00 41.96 41.15 2k4a s TYR 8 CO 0.07 -0.57 0.05 -1.54 -2.51 0.00 0.00 175.55 171.05 2k4a s SER 9 N -1.29 3.66 0.09 -0.18 1.04 0.32 -1.15 113.70 116.19 2k4a s SER 9 Ca -0.11 -1.31 0.05 0.00 0.48 0.00 0.00 55.95 55.06 2k4a s SER 9 Cb -0.01 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.21 2k4a s SER 9 CO 0.08 -0.35 -0.01 -0.76 0.98 0.00 0.00 173.24 173.18 2k4a s LEU 10 N 1.63 3.44 0.00 2.42 1.43 0.23 -3.11 118.68 124.72 2k4a s LEU 10 Ca 0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2k4a s LEU 10 Cb -0.18 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2k4a s LEU 10 CO -0.16 0.18 0.00 -0.90 0.23 0.00 0.00 176.35 175.70 2k4a n ASP 11 N 0.60 0.15 -3.71 2.29 5.68 0.21 0.24 116.55 122.02 2k4a n ASP 11 Ca -0.11 -0.03 -0.13 0.00 -0.50 0.00 0.00 54.79 54.02 2k4a n ASP 11 Cb 0.52 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.87 -0.24 -0.27 2.11 1.13 -1.26 0.11 117.35 118.05 2k4a s TYR 12 Ca 0.00 0.31 -0.04 0.00 -1.41 0.00 0.00 57.07 55.92 2k4a s TYR 12 Cb 0.00 0.16 0.02 0.00 -1.10 0.00 0.00 41.96 41.03 2k4a s TYR 12 CO 0.00 -0.47 0.02 0.34 -2.51 0.00 0.00 175.55 172.93 2k4a s ASP 13 N -1.57 4.77 0.00 -0.18 -1.08 0.33 -4.82 116.67 114.12 2k4a s ASP 13 Ca -0.10 -0.79 0.26 0.00 -0.52 0.00 0.00 52.55 51.39 2k4a s ASP 13 Cb -0.03 -1.78 0.82 0.00 -1.46 0.00 0.00 42.92 40.47 2k4a s ASP 13 CO 0.02 -0.16 1.61 2.22 0.52 0.00 0.00 175.17 179.38 2k4a n PHE 14 N 4.77 0.06 -0.04 -5.34 -1.74 -1.26 -1.19 117.46 112.72 2k4a n PHE 14 Ca -0.15 -0.03 -0.22 0.00 -0.56 0.00 0.00 57.45 56.49 2k4a n PHE 14 Cb 0.47 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.34 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 2.83 0.16 0.00 3.97 3.07 -1.94 -3.38 115.11 119.81 2k4a h GLN 15 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 58.47 2k4a h GLN 15 Cb 0.61 0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2k4a h GLN 15 CO 0.00 1.13 -1.70 0.27 0.09 0.00 0.00 178.83 178.62 2k4a n ASN 16 N -3.90 0.26 -1.75 0.06 0.23 -1.26 -5.03 115.26 103.86 2k4a n ASN 16 Ca -0.32 0.06 -0.00 0.00 -0.53 0.00 0.00 54.58 53.79 2k4a n ASN 16 Cb 0.89 1.55 0.00 0.00 -2.08 0.00 0.00 39.78 40.14 2k4a n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k4a n ASN 17 N -2.34 -2.92 -3.51 0.53 2.85 -0.60 -4.92 115.26 104.34 2k4a n ASN 17 Ca -0.03 -0.02 -0.17 0.00 -0.11 0.00 0.00 54.58 54.26 2k4a n ASN 17 Cb 0.56 -1.67 -0.06 0.00 1.24 0.00 0.00 39.78 39.85 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -3.01 1.06 0.08 1.20 1.03 -0.33 -2.72 119.66 116.96 2k4a s GLN 18 Ca 0.00 0.18 -0.18 0.00 0.04 0.00 0.00 55.36 55.40 2k4a s GLN 18 Cb -0.00 0.50 -0.07 0.00 0.03 0.00 0.00 33.01 33.47 2k4a s GLN 18 CO 0.12 -0.35 0.55 -0.51 -2.54 0.00 0.00 175.29 172.56 2k4a s LEU 19 N -1.36 4.48 -0.73 2.60 1.43 0.00 0.12 118.68 125.23 2k4a s LEU 19 Ca -0.09 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 2k4a s LEU 19 Cb -0.00 -2.94 0.18 0.00 0.03 0.00 0.00 46.19 43.45 2k4a s LEU 19 CO 0.07 0.24 0.71 -0.22 0.23 0.00 0.00 176.35 177.38 2k4a s LEU 20 N -1.30 6.34 -0.42 1.79 1.98 0.30 -1.10 118.68 126.27 2k4a s LEU 20 Ca 0.30 -2.26 -0.20 0.00 -2.89 0.00 0.00 54.13 49.08 2k4a s LEU 20 Cb -0.18 -2.23 0.02 0.00 0.66 0.00 0.00 46.19 44.45 2k4a s LEU 20 CO 0.18 -0.75 0.63 -0.69 -1.89 0.00 0.00 176.35 173.83 2k4a s VAL 21 N 1.02 4.86 -0.36 1.68 1.01 -0.89 0.66 120.40 128.37 2k4a s VAL 21 Ca 0.14 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2k4a s VAL 21 Cb -0.17 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.15 2k4a s VAL 21 CO -0.04 -0.51 0.10 -0.83 0.00 0.00 0.00 175.10 173.81 2k4a s GLY 22 N 1.94 1.85 0.04 4.51 0.00 -1.18 0.10 107.32 114.58 2k4a s GLY 22 Ca 0.22 -2.49 -0.22 0.00 0.00 0.00 0.00 44.72 42.23 2k4a s GLY 22 CO 0.18 1.10 0.66 -0.26 0.00 0.00 0.00 173.10 174.77 2k4a s ILE 23 N 0.83 4.77 -0.04 0.90 -0.00 -1.14 -0.52 121.20 126.00 2k4a s ILE 23 Ca 0.12 1.40 -0.04 0.00 -0.00 0.00 0.00 60.65 62.13 2k4a s ILE 23 Cb -0.20 -4.00 -0.02 0.00 -0.00 0.00 0.00 42.46 38.24 2k4a s ILE 23 CO -0.09 0.43 0.22 0.40 -0.00 0.00 0.00 174.94 175.90 2k4a h ILE 24 N 3.96 0.00 -2.15 8.37 2.04 0.11 -2.83 117.51 127.01 2k4a h ILE 24 Ca -0.46 -0.49 0.18 0.00 1.00 0.00 0.00 64.86 65.09 2k4a h ILE 24 Cb 1.20 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 2k4a h ILE 24 CO 0.69 0.00 0.55 0.00 0.00 0.00 0.00 178.15 179.39 2k4a s GLN 25 N -1.91 0.91 -0.03 2.37 1.03 -1.16 -1.95 119.66 118.93 2k4a s GLN 25 Ca -0.02 -0.45 0.05 0.00 0.04 0.00 0.00 55.36 54.99 2k4a s GLN 25 Cb 0.00 0.35 -0.03 0.00 0.03 0.00 0.00 33.01 33.36 2k4a s GLN 25 CO 0.06 -0.41 -0.18 0.00 -2.54 0.00 0.00 175.29 172.22 2k4a s ALA 26 N -3.06 2.50 -0.01 2.60 0.00 -1.13 -0.93 121.76 121.73 2k4a s ALA 26 Ca 0.10 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2k4a s ALA 26 Cb -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2k4a s ALA 26 CO -0.03 0.55 -0.22 0.00 0.00 0.00 0.00 175.76 176.06 2k4a s ALA 27 N -0.73 1.84 -0.43 0.00 0.00 0.34 -3.13 121.76 119.66 2k4a s ALA 27 Ca 0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2k4a s ALA 27 Cb -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2k4a s ALA 27 CO 0.01 0.45 0.37 0.39 0.00 0.00 0.00 175.76 176.97 2k4a n GLU 28 N 2.47 -2.45 -2.55 0.00 1.02 -0.40 -0.85 120.64 117.88 2k4a n GLU 28 Ca -0.16 0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 2k4a n GLU 28 Cb 0.52 -3.61 -0.03 0.00 -0.02 0.00 0.00 31.44 28.30 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 -3.23 4.42 0.57 -4.62 1.43 0.57 -3.80 118.68 114.03 2k4a s LEU 29 Ca 0.11 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.95 2k4a s LEU 29 Cb -0.05 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2k4a s LEU 29 CO 0.24 -0.31 0.90 -2.65 0.23 0.00 0.00 176.35 174.76 2k4a n PRO 30 N 3.37 0.90 -2.64 1.29 -0.02 -1.26 -4.65 135.00 131.99 2k4a n PRO 30 Ca 0.06 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 2k4a n PRO 30 Cb 0.48 -2.07 -0.02 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 -1.51 3.64 -0.13 3.55 0.00 -1.26 -4.63 121.76 121.41 2k4a s ALA 31 Ca 0.73 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.86 2k4a s ALA 31 Cb -0.44 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 18.98 2k4a s ALA 31 CO 0.50 -1.18 -0.06 -0.11 0.00 0.00 0.00 175.76 174.91 2k4a n LEU 32 N 6.49 1.84 -4.97 0.00 -0.00 -1.21 -4.94 117.00 114.21 2k4a n LEU 32 Ca 0.12 -0.05 -0.26 0.00 -0.00 0.00 0.00 56.01 55.82 2k4a n LEU 32 Cb 0.46 -0.20 0.14 0.00 -0.00 0.00 0.00 43.42 43.82 2k4a n LEU 32 CO 0.54 0.56 0.69 -0.62 -0.00 0.00 0.00 177.39 178.56 2k4a s ASP 33 N -5.01 3.79 -0.61 1.96 -1.08 0.20 -4.96 116.67 110.97 2k4a s ASP 33 Ca -0.14 -0.16 -0.23 0.00 -0.52 0.00 0.00 52.55 51.50 2k4a s ASP 33 Cb 0.04 -0.05 0.06 0.00 -1.46 0.00 0.00 42.92 41.51 2k4a s ASP 33 CO 0.38 -2.25 0.93 -0.32 0.52 0.00 0.00 175.17 174.43 2k4a s MET 34 N -5.45 3.19 0.00 4.34 -2.45 -1.26 -4.30 119.30 113.37 2k4a s MET 34 Ca 0.70 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 54.52 2k4a s MET 34 Cb -0.04 -4.15 0.00 0.00 1.25 0.00 0.00 34.83 31.89 2k4a s MET 34 CO 0.48 -1.65 0.00 0.41 1.05 0.00 0.00 175.02 175.31 2k4a n GLY 35 N 5.24 0.47 4.38 2.11 0.00 -1.26 -4.84 105.19 111.29 2k4a n GLY 35 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.42 3.45 -0.02 0.00 -1.26 -4.89 105.19 102.05 2k4a n GLY 36 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.04 0.28 2.61 -4.23 -1.26 -4.84 115.64 105.01 2k4a s THR 37 Ca 0.79 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 2k4a s THR 37 Cb -0.45 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 2k4a s THR 37 CO 0.97 -0.17 0.39 -0.44 -0.54 0.00 0.00 174.62 174.83 2k4a s SER 38 N -2.86 0.44 -0.82 3.99 0.01 -1.25 -0.63 113.70 112.58 2k4a s SER 38 Ca 0.08 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 56.07 2k4a s SER 38 Cb 0.00 0.57 0.28 0.00 0.21 0.00 0.00 66.02 67.08 2k4a s SER 38 CO -0.05 -1.14 1.08 0.47 0.41 0.00 0.00 173.24 174.02 2k4a n ASP 39 N -0.82 4.98 -4.69 2.44 9.92 -1.26 0.12 116.55 127.25 2k4a n ASP 39 Ca 0.01 -3.46 -0.42 0.00 -0.53 0.00 0.00 54.79 50.38 2k4a n ASP 39 Cb 0.63 -0.91 -0.03 0.00 -0.64 0.00 0.00 41.12 40.17 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 -2.74 4.34 -0.04 -0.24 0.04 -1.24 -0.02 135.00 135.10 2k4a s PRO 40 Ca 0.37 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 2k4a s PRO 40 Cb 0.12 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 31.12 2k4a s PRO 40 CO 0.03 -0.47 0.01 1.52 0.04 0.00 0.00 177.00 178.13 2k4a s TYR 41 N 2.27 0.39 0.15 0.56 -0.85 0.37 -3.15 117.35 117.08 2k4a s TYR 41 Ca 0.56 -0.02 -0.28 0.00 -0.52 0.00 0.00 57.07 56.82 2k4a s TYR 41 Cb -0.25 -0.53 -0.07 0.00 0.38 0.00 0.00 41.96 41.49 2k4a s TYR 41 CO 0.22 -0.19 0.88 0.14 -1.52 0.00 0.00 175.55 175.09 2k4a s VAL 42 N 1.39 4.39 -0.26 -3.49 -7.23 -1.26 0.81 120.40 114.75 2k4a s VAL 42 Ca -0.04 1.92 0.02 0.00 -1.81 0.00 0.00 61.98 62.07 2k4a s VAL 42 Cb -0.13 -4.25 0.06 0.00 0.56 0.00 0.00 36.38 32.61 2k4a s VAL 42 CO -0.03 0.42 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.50 2k4a s LYS 43 N -0.60 2.31 0.01 4.82 -2.85 0.38 -2.15 119.74 121.66 2k4a s LYS 43 Ca 0.41 -1.31 -0.30 0.00 -1.00 0.00 0.00 55.97 53.77 2k4a s LYS 43 Cb -0.24 -2.93 -0.05 0.00 -2.06 0.00 0.00 37.83 32.55 2k4a s LYS 43 CO 0.29 -0.56 1.35 0.14 0.10 0.00 0.00 175.35 176.66 2k4a s VAL 44 N 1.14 3.80 0.16 1.79 -7.23 -1.06 -2.54 120.40 116.46 2k4a s VAL 44 Ca -0.08 1.20 0.01 0.00 -1.81 0.00 0.00 61.98 61.30 2k4a s VAL 44 Cb -0.20 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 2k4a s VAL 44 CO -0.05 0.02 0.01 -0.36 -0.31 0.00 0.00 175.10 174.41 2k4a s PHE 45 N 2.12 1.12 0.27 2.82 0.08 0.64 -3.76 117.98 121.27 2k4a s PHE 45 Ca 0.62 -1.06 0.03 0.00 0.12 0.00 0.00 56.93 56.65 2k4a s PHE 45 Cb -0.31 -0.64 -0.06 0.00 -0.57 0.00 0.00 43.02 41.45 2k4a s PHE 45 CO 0.26 -0.27 0.03 -0.51 -0.10 0.00 0.00 175.22 174.64 2k4a s LEU 46 N -3.14 2.09 0.00 -0.37 2.01 -1.26 0.72 118.68 118.73 2k4a s LEU 46 Ca 0.23 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 53.07 2k4a s LEU 46 Cb 0.06 -0.27 0.00 0.00 0.01 0.00 0.00 46.19 46.00 2k4a s LEU 46 CO 0.03 -0.58 0.00 0.00 1.01 0.00 0.00 176.35 176.81 2k4a n LEU 47 N -0.52 0.00 -0.26 1.79 -0.00 0.97 -4.23 117.00 114.75 2k4a n LEU 47 Ca -0.03 0.00 0.22 0.00 -0.00 0.00 0.00 56.01 56.19 2k4a n LEU 47 Cb 0.65 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.43 2k4a n LEU 47 CO 0.39 -1.26 0.65 -2.65 -0.00 0.00 0.00 177.39 174.51 2k4a n PRO 48 N -1.64 -0.02 -0.36 1.47 -0.01 -1.26 0.29 135.00 133.47 2k4a n PRO 48 Ca 0.00 0.65 0.04 0.00 -0.01 0.00 0.00 63.50 64.18 2k4a n PRO 48 Cb 0.00 -1.29 0.12 0.00 -0.01 0.00 0.00 33.50 32.31 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 2k4a n ASP 49 N -3.66 -0.42 -2.32 2.55 2.03 -1.26 -4.75 116.55 108.72 2k4a n ASP 49 Ca 0.21 1.69 -0.04 0.00 0.52 0.00 0.00 54.79 57.17 2k4a n ASP 49 Cb 0.84 -0.48 -0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 -5.56 -2.54 -2.58 -0.67 4.76 0.14 -4.83 118.16 106.89 2k4a n LYS 50 Ca 0.14 0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 55.41 2k4a n LYS 50 Cb 0.47 -4.70 0.01 0.00 -1.84 0.00 0.00 35.03 28.97 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 -2.46 4.79 0.00 1.97 5.02 -1.26 -4.84 118.16 121.38 2k4a n LYS 51 Ca -0.05 -4.54 0.00 0.00 -2.02 0.00 0.00 58.31 51.70 2k4a n LYS 51 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 -0.16 0.00 -3.46 1.97 2.85 -1.26 -4.34 118.16 113.76 2k4a n LYS 52 Ca 0.46 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.46 2k4a n LYS 52 Cb 0.28 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.54 2k4a n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4a s LYS 53 N 0.00 0.41 -0.00 -1.58 2.20 -1.26 -4.51 119.74 114.99 2k4a s LYS 53 Ca 0.00 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.87 2k4a s LYS 53 Cb 0.00 -1.06 -0.03 0.00 -1.51 0.00 0.00 37.83 35.23 2k4a s LYS 53 CO 0.00 -1.12 -0.22 0.12 -0.36 0.00 0.00 175.35 173.77 2k4a s PHE 54 N 1.67 2.45 -0.23 4.03 5.36 -1.25 -5.04 117.98 124.97 2k4a s PHE 54 Ca 0.14 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 2k4a s PHE 54 Cb -0.18 -1.50 0.04 0.00 -0.34 0.00 0.00 43.02 41.04 2k4a s PHE 54 CO -0.17 0.10 -0.13 -2.00 -1.46 0.00 0.00 175.22 171.56 2k4a s GLU 55 N -0.91 2.59 0.83 10.12 2.12 -1.26 -2.56 118.70 129.63 2k4a s GLU 55 Ca 0.12 -1.11 -0.11 0.00 0.36 0.00 0.00 54.97 54.22 2k4a s GLU 55 Cb -0.10 -2.82 0.09 0.00 0.26 0.00 0.00 34.13 31.56 2k4a s GLU 55 CO 0.01 -0.43 1.09 0.95 -0.54 0.00 0.00 175.26 176.35 2k4a s THR 56 N 1.21 3.02 0.03 -1.70 -4.23 -0.91 -4.96 115.64 108.09 2k4a s THR 56 Ca -0.03 0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 2k4a s THR 56 Cb -0.17 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 2k4a s THR 56 CO -0.07 -0.43 1.39 -0.75 -0.54 0.00 0.00 174.62 174.22 2k4a s LYS 57 N -4.94 4.30 0.36 3.99 2.36 -1.26 -4.74 119.74 119.81 2k4a s LYS 57 Ca 0.62 1.99 -0.28 0.00 -2.55 0.00 0.00 55.97 55.74 2k4a s LYS 57 Cb -0.17 -3.50 -0.11 0.00 -1.05 0.00 0.00 37.83 33.00 2k4a s LYS 57 CO 0.56 -0.53 1.49 0.54 1.55 0.00 0.00 175.35 178.96 2k4a s VAL 58 N 2.08 2.09 -0.44 4.02 0.11 -1.26 -4.76 120.40 122.23 2k4a s VAL 58 Ca 0.64 0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.67 2k4a s VAL 58 Cb -0.33 -3.06 0.08 0.00 -1.53 0.00 0.00 36.38 31.55 2k4a s VAL 58 CO 0.28 0.02 0.30 -1.00 -3.33 0.00 0.00 175.10 171.36 2k4a s HIS 59 N -0.99 3.33 -0.22 1.54 0.09 -1.19 -5.01 115.29 112.84 2k4a s HIS 59 Ca 0.54 -1.46 -0.35 0.00 -0.00 0.00 0.00 55.06 53.79 2k4a s HIS 59 Cb -0.46 -3.08 -0.12 0.00 -0.00 0.00 0.00 32.58 28.92 2k4a s HIS 59 CO 0.61 -0.86 2.00 2.89 -0.00 0.00 0.00 174.74 179.38 2k4a n ARG 60 N 4.97 1.60 -3.34 1.40 -4.01 -1.26 -3.69 116.66 112.34 2k4a n ARG 60 Ca -0.10 0.53 -0.19 0.00 -1.04 0.00 0.00 57.85 57.05 2k4a n ARG 60 Cb 0.43 -2.55 0.02 0.00 -3.04 0.00 0.00 32.46 27.32 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 7.18 -1.08 -3.60 2.89 4.76 -0.91 -4.95 118.16 122.46 2k4a n LYS 61 Ca 0.30 1.09 -0.14 0.00 -2.87 0.00 0.00 58.31 56.70 2k4a n LYS 61 Cb 0.26 -1.51 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.23 0.00 -0.89 -0.18 -1.32 0.33 -4.73 115.64 107.63 2k4a s THR 62 Ca 0.19 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.76 2k4a s THR 62 Cb -0.02 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.21 2k4a s THR 62 CO 0.43 0.00 1.15 0.18 -2.21 0.00 0.00 174.62 174.17 2k4a n LEU 63 N 1.89 2.65 -2.82 9.08 4.77 -1.26 -3.87 117.00 127.43 2k4a n LEU 63 Ca -0.15 -1.83 -0.11 0.00 -0.03 0.00 0.00 56.01 53.90 2k4a n LEU 63 Cb 0.56 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2k4a n LEU 63 CO 0.10 0.64 0.12 -3.20 -1.33 0.00 0.00 177.39 173.73 2k4a n ASN 64 N 0.42 -2.42 -4.75 -1.43 5.15 -1.26 -0.31 115.26 110.66 2k4a n ASN 64 Ca 0.09 -3.21 -0.39 0.00 -0.60 0.00 0.00 54.58 50.48 2k4a n ASN 64 Cb 0.38 1.44 -0.06 0.00 -0.53 0.00 0.00 39.78 41.02 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 0.40 4.33 0.05 1.20 0.04 -1.18 -4.91 135.00 134.92 2k4a s PRO 65 Ca 0.32 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2k4a s PRO 65 Cb 0.22 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2k4a s PRO 65 CO -0.23 0.32 0.01 0.14 0.04 0.00 0.00 177.00 177.28 2k4a s VAL 66 N -0.01 4.16 0.00 -0.36 -7.23 -1.26 -2.85 120.40 112.84 2k4a s VAL 66 Ca 0.31 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2k4a s VAL 66 Cb -0.18 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.83 2k4a s VAL 66 CO 0.17 0.23 0.00 0.33 -0.31 0.00 0.00 175.10 175.51 2k4a n PHE 67 N 0.89 0.00 -2.67 2.82 -0.00 -1.02 -5.03 117.46 112.45 2k4a n PHE 67 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.29 2k4a n PHE 67 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 40.02 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 -1.13 -5.85 -4.80 -2.13 5.15 -0.82 -5.00 115.26 100.68 2k4a n ASN 68 Ca 0.00 -0.23 -0.39 0.00 -0.60 0.00 0.00 54.58 53.36 2k4a n ASN 68 Cb 0.00 -4.02 -0.06 0.00 -0.53 0.00 0.00 39.78 35.17 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 -3.39 4.35 -0.41 1.20 2.56 -1.07 -4.90 118.70 117.04 2k4a s GLU 69 Ca 0.13 0.92 -0.16 0.00 0.00 0.00 0.00 54.97 55.86 2k4a s GLU 69 Cb -0.02 -3.19 0.02 0.00 2.00 0.00 0.00 34.13 32.94 2k4a s GLU 69 CO 0.54 0.58 0.37 -1.14 -0.56 0.00 0.00 175.26 175.04 2k4a s GLN 70 N -1.26 3.09 -0.33 4.30 -0.44 -1.26 -2.89 119.66 120.86 2k4a s GLN 70 Ca 0.34 -0.84 -0.20 0.00 -2.50 0.00 0.00 55.36 52.16 2k4a s GLN 70 Cb -0.20 -3.96 -0.00 0.00 -1.64 0.00 0.00 33.01 27.21 2k4a s GLN 70 CO 0.22 -0.77 0.61 0.12 0.50 0.00 0.00 175.29 175.97 2k4a s PHE 71 N 1.92 3.19 -0.97 1.67 5.36 0.28 -4.97 117.98 124.46 2k4a s PHE 71 Ca 0.09 0.44 -0.24 0.00 -0.96 0.00 0.00 56.93 56.26 2k4a s PHE 71 Cb -0.18 -3.03 0.03 0.00 -0.34 0.00 0.00 43.02 39.50 2k4a s PHE 71 CO 0.12 -0.53 1.55 0.99 -1.46 0.00 0.00 175.22 175.88 2k4a s THR 72 N 2.61 3.80 -1.17 0.12 2.01 -1.26 -2.10 115.64 119.64 2k4a s THR 72 Ca 0.24 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 2k4a s THR 72 Cb -0.15 -4.81 -0.06 0.00 0.01 0.00 0.00 72.50 67.49 2k4a s THR 72 CO 0.13 -1.71 1.90 0.33 -0.69 0.00 0.00 174.62 174.58 2k4a n PHE 73 N 10.04 3.06 -1.72 4.92 -0.00 -0.26 -4.87 117.46 128.63 2k4a n PHE 73 Ca 0.32 -1.85 -0.18 0.00 -0.00 0.00 0.00 57.45 55.75 2k4a n PHE 73 Cb 0.50 -2.51 -0.08 0.00 -0.00 0.00 0.00 39.48 37.38 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 5.70 1.66 -0.29 -4.13 -0.14 -1.26 -0.82 119.74 120.46 2k4a s LYS 74 Ca 0.63 -0.23 -0.15 0.00 -1.36 0.00 0.00 55.97 54.86 2k4a s LYS 74 Cb 0.03 -4.97 0.12 0.00 -1.68 0.00 0.00 37.83 31.34 2k4a s LYS 74 CO 0.12 -4.71 0.85 0.54 -0.76 0.00 0.00 175.35 171.39 2k4a s VAL 75 N 14.66 -0.13 0.38 3.17 0.11 -1.22 -4.76 120.40 132.60 2k4a s VAL 75 Ca 0.82 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.59 2k4a s VAL 75 Cb -0.07 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.67 2k4a s VAL 75 CO 0.12 0.00 1.48 -2.84 -3.33 0.00 0.00 175.10 170.53 2k4a s PRO 76 N 1.67 4.09 0.40 1.54 0.02 -1.10 -3.21 135.00 138.41 2k4a s PRO 76 Ca -0.09 2.56 0.14 0.00 0.02 0.00 0.00 61.00 63.64 2k4a s PRO 76 Cb -0.05 -2.95 0.99 0.00 0.02 0.00 0.00 34.50 32.51 2k4a s PRO 76 CO -0.17 -0.54 1.88 0.10 -0.33 0.00 0.00 177.00 177.93 2k4a h TYR 77 N 2.97 0.62 0.00 6.54 -0.00 -1.88 0.89 116.97 126.11 2k4a h TYR 77 Ca -0.51 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.24 2k4a h TYR 77 Cb 1.24 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.78 2k4a h TYR 77 CO 0.53 0.20 0.00 0.77 -0.00 0.00 0.00 178.16 179.66 2k4a h SER 78 N 0.50 0.00 0.00 0.10 0.02 -1.98 -3.08 113.55 109.10 2k4a h SER 78 Ca 0.44 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.13 2k4a h SER 78 Cb 0.93 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 2k4a h SER 78 CO -0.17 0.00 -2.19 1.21 -1.14 0.00 0.00 176.83 174.54 2k4a n GLU 79 N -2.69 0.86 -0.29 3.45 2.13 0.26 -4.45 120.64 119.91 2k4a n GLU 79 Ca 0.02 -0.05 0.32 0.00 0.66 0.00 0.00 57.16 58.11 2k4a n GLU 79 Cb 0.30 -1.48 0.72 0.00 0.27 0.00 0.00 31.44 31.25 2k4a n GLU 79 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2k4a h LEU 80 N 0.00 0.05 -0.03 4.31 -0.00 0.01 -3.08 115.31 116.58 2k4a h LEU 80 Ca -0.38 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2k4a h LEU 80 Cb 1.83 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.49 2k4a h LEU 80 CO 0.02 0.01 -0.02 1.23 -0.00 0.00 0.00 178.44 179.68 2k4a h GLY 81 N 0.04 -2.60 -3.15 0.17 0.00 -1.78 -0.25 103.07 95.51 2k4a h GLY 81 Ca 0.54 1.13 -0.09 0.00 0.00 0.00 0.00 47.33 48.91 2k4a h GLY 81 CO -0.04 -0.98 0.10 0.61 0.00 0.00 0.00 176.54 176.23 2k4a n GLY 82 N -1.01 2.92 2.95 4.60 0.00 -1.16 -0.96 105.19 112.53 2k4a n GLY 82 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.44 1.78 -0.36 1.61 3.01 -0.10 -4.91 119.74 120.32 2k4a s LYS 83 Ca 0.09 -0.74 -0.16 0.00 -1.01 0.00 0.00 55.97 54.15 2k4a s LYS 83 Cb 0.07 -2.29 -0.00 0.00 -1.01 0.00 0.00 37.83 34.60 2k4a s LYS 83 CO -0.00 -0.45 0.41 0.99 0.51 0.00 0.00 175.35 176.82 2k4a s THR 84 N 1.48 5.11 0.15 2.17 2.01 -1.26 -1.61 115.64 123.69 2k4a s THR 84 Ca -0.01 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2k4a s THR 84 Cb -0.16 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 2k4a s THR 84 CO -0.08 -0.19 0.54 -1.48 -0.69 0.00 0.00 174.62 172.72 2k4a s LEU 85 N 2.14 4.32 -0.04 4.42 2.34 -0.96 -0.02 118.68 130.86 2k4a s LEU 85 Ca 0.13 1.05 0.02 0.00 0.06 0.00 0.00 54.13 55.40 2k4a s LEU 85 Cb -0.16 -3.30 0.01 0.00 -0.56 0.00 0.00 46.19 42.18 2k4a s LEU 85 CO 0.12 0.09 -0.11 0.68 -1.06 0.00 0.00 176.35 176.08 2k4a s VAL 86 N -1.50 0.96 -0.49 1.48 -7.23 0.22 -1.66 120.40 112.19 2k4a s VAL 86 Ca 0.39 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.11 2k4a s VAL 86 Cb -0.15 -0.87 0.13 0.00 0.56 0.00 0.00 36.38 36.05 2k4a s VAL 86 CO 0.19 0.30 0.29 -0.32 -0.31 0.00 0.00 175.10 175.26 2k4a s MET 87 N 0.44 2.20 -0.21 4.82 1.75 0.40 -0.26 119.30 128.43 2k4a s MET 87 Ca -0.09 -2.13 -0.14 0.00 -1.25 0.00 0.00 55.69 52.08 2k4a s MET 87 Cb -0.12 -3.62 -0.04 0.00 2.84 0.00 0.00 34.83 33.89 2k4a s MET 87 CO 0.02 -1.11 0.33 0.00 -0.65 0.00 0.00 175.02 173.61 2k4a s ALA 88 N 0.61 3.57 -0.45 4.11 0.00 -1.05 -0.94 121.76 127.61 2k4a s ALA 88 Ca 0.12 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 2k4a s ALA 88 Cb -0.22 -2.53 0.04 0.00 0.00 0.00 0.00 23.12 20.40 2k4a s ALA 88 CO -0.04 -0.23 0.52 0.54 0.00 0.00 0.00 175.76 176.55 2k4a s VAL 89 N 1.16 5.00 0.02 0.00 0.11 0.14 0.15 120.40 126.97 2k4a s VAL 89 Ca 0.16 -0.37 -0.08 0.00 -2.93 0.00 0.00 61.98 58.76 2k4a s VAL 89 Cb -0.14 -4.15 -0.05 0.00 -1.53 0.00 0.00 36.38 30.51 2k4a s VAL 89 CO 0.07 -0.57 0.31 -0.47 -3.33 0.00 0.00 175.10 171.11 2k4a s TYR 90 N 2.35 3.59 0.27 1.54 5.04 0.24 -2.58 117.35 127.79 2k4a s TYR 90 Ca 0.14 0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 55.42 2k4a s TYR 90 Cb -0.18 -2.06 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 2k4a s TYR 90 CO 0.14 0.59 0.49 0.34 -1.34 0.00 0.00 175.55 175.77 2k4a s ASP 91 N -1.63 6.40 -0.39 4.32 2.15 -1.09 0.14 116.67 126.57 2k4a s ASP 91 Ca 0.28 0.55 0.12 0.00 0.43 0.00 0.00 52.55 53.94 2k4a s ASP 91 Cb -0.14 -2.07 0.40 0.00 -0.30 0.00 0.00 42.92 40.81 2k4a s ASP 91 CO 0.16 -0.15 0.90 0.33 -0.17 0.00 0.00 175.17 176.23 2k4a n PHE 92 N -0.98 1.51 -0.47 -5.34 7.35 0.97 -4.65 117.46 115.85 2k4a n PHE 92 Ca -0.03 -3.35 0.41 0.00 -0.76 0.00 0.00 57.45 53.71 2k4a n PHE 92 Cb 0.54 -0.37 0.75 0.00 0.35 0.00 0.00 39.48 40.76 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 2.94 0.06 -2.56 -2.13 2.03 -1.89 -3.42 116.42 111.45 2k4a h ASP 93 Ca 0.06 0.02 -0.22 0.00 -0.73 0.00 0.00 57.03 56.16 2k4a h ASP 93 Cb 0.98 0.01 0.03 0.00 -0.83 0.00 0.00 39.33 39.53 2k4a h ASP 93 CO 0.59 -0.01 -0.32 0.54 -1.03 0.00 0.00 179.24 179.00 2k4a n ARG 94 N -4.18 -2.52 0.16 4.15 1.74 -1.26 -4.84 116.66 109.91 2k4a n ARG 94 Ca 0.33 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 2k4a n ARG 94 Cb 1.51 -4.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.45 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 -3.93 -3.14 -3.42 -1.55 7.35 -1.26 -5.15 117.46 106.35 2k4a n PHE 95 Ca -0.07 0.81 -0.20 0.00 -0.76 0.00 0.00 57.45 57.24 2k4a n PHE 95 Cb 0.57 1.79 0.03 0.00 0.35 0.00 0.00 39.48 42.22 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 -3.35 2.20 -3.50 -2.13 7.64 -1.26 -4.98 113.62 108.24 2k4a n SER 96 Ca 0.00 -2.51 -0.37 0.00 1.01 0.00 0.00 58.87 56.99 2k4a n SER 96 Cb 0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.89 1.90 -1.47 1.43 4.76 -1.26 -4.85 118.16 116.79 2k4a n LYS 97 Ca 0.07 -1.84 -0.50 0.00 -2.87 0.00 0.00 58.31 53.16 2k4a n LYS 97 Cb 0.54 -2.83 -0.04 0.00 -1.84 0.00 0.00 35.03 30.86 2k4a n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k4a n HIS 98 N 6.29 0.18 -3.77 2.13 1.44 -1.26 -4.98 115.22 115.25 2k4a n HIS 98 Ca 0.50 0.92 -0.12 0.00 -2.01 0.00 0.00 57.72 57.00 2k4a n HIS 98 Cb 0.32 -2.06 -0.00 0.00 0.12 0.00 0.00 29.99 28.37 2k4a n HIS 98 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2k4a n ASP 99 N 1.81 1.92 -4.48 4.39 -0.08 -1.26 -4.86 116.55 113.99 2k4a n ASP 99 Ca 0.17 -1.89 -0.43 0.00 -1.51 0.00 0.00 54.79 51.12 2k4a n ASP 99 Cb 0.22 0.01 -0.05 0.00 2.34 0.00 0.00 41.12 43.64 2k4a n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2k4a s ILE 100 N -1.33 4.65 0.56 5.18 1.01 -1.26 -2.67 121.20 127.34 2k4a s ILE 100 Ca 0.12 -0.17 0.23 0.00 0.00 0.00 0.00 60.65 60.83 2k4a s ILE 100 Cb -0.01 -4.42 0.32 0.00 0.01 0.00 0.00 42.46 38.36 2k4a s ILE 100 CO 0.08 -0.97 2.21 0.16 0.00 0.00 0.00 174.94 176.42 2k4a h ILE 101 N 5.93 0.74 0.00 2.92 3.07 -1.83 -3.40 117.51 124.95 2k4a h ILE 101 Ca -0.27 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2k4a h ILE 101 Cb 1.08 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2k4a h ILE 101 CO 1.03 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.74 2k4a n GLY 102 N -1.42 0.42 3.28 0.16 0.00 -1.23 -4.40 105.19 102.00 2k4a n GLY 102 Ca -0.03 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 0.47 0.32 1.61 -1.05 0.26 0.25 118.70 118.56 2k4a s GLU 103 Ca 0.00 0.94 -0.02 0.00 -0.15 0.00 0.00 54.97 55.74 2k4a s GLU 103 Cb 0.00 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2k4a s GLU 103 CO 0.00 -0.40 0.56 -0.59 0.95 0.00 0.00 175.26 175.78 2k4a s PHE 104 N 2.84 3.49 0.13 4.83 -0.12 -0.12 -4.53 117.98 124.51 2k4a s PHE 104 Ca 0.09 0.52 -0.17 0.00 -0.05 0.00 0.00 56.93 57.32 2k4a s PHE 104 Cb -0.12 -2.02 0.04 0.00 -0.63 0.00 0.00 43.02 40.28 2k4a s PHE 104 CO -0.18 0.13 0.42 -1.59 -0.05 0.00 0.00 175.22 173.95 2k4a s LYS 105 N -3.93 1.11 -0.21 1.99 0.00 -1.26 0.15 119.74 117.58 2k4a s LYS 105 Ca 0.42 -0.70 -0.27 0.00 0.00 0.00 0.00 55.97 55.42 2k4a s LYS 105 Cb -0.10 0.48 0.09 0.00 0.00 0.00 0.00 37.83 38.30 2k4a s LYS 105 CO 0.33 -0.44 0.80 0.54 0.00 0.00 0.00 175.35 176.58 2k4a s VAL 106 N -3.80 0.00 -0.20 1.79 0.11 -0.66 -5.01 120.40 112.62 2k4a s VAL 106 Ca 0.03 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 2k4a s VAL 106 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2k4a s VAL 106 CO -0.11 0.00 1.27 -2.84 -3.33 0.00 0.00 175.10 170.09 2k4a s PRO 107 N -0.15 4.14 0.32 1.54 0.02 -1.26 -2.28 135.00 137.33 2k4a s PRO 107 Ca -0.02 1.54 0.01 0.00 0.02 0.00 0.00 61.00 62.56 2k4a s PRO 107 Cb -0.03 -3.80 0.57 0.00 0.02 0.00 0.00 34.50 31.25 2k4a s PRO 107 CO 0.02 -0.83 1.94 0.52 -0.33 0.00 0.00 177.00 178.32 2k4a h MET 108 N 8.52 0.95 -1.17 5.54 2.86 -1.49 -1.82 114.93 128.33 2k4a h MET 108 Ca -0.26 -0.06 0.34 0.00 -2.06 0.00 0.00 59.70 57.66 2k4a h MET 108 Cb 1.10 -0.21 -0.10 0.00 0.06 0.00 0.00 31.60 32.45 2k4a h MET 108 CO 0.99 0.63 0.76 -0.97 1.06 0.00 0.00 176.91 179.38 2k4a h ASN 109 N 0.98 0.32 0.68 1.22 -1.24 -1.17 0.56 115.58 116.92 2k4a h ASN 109 Ca 0.35 0.09 -0.24 0.00 0.71 0.00 0.00 56.30 57.20 2k4a h ASN 109 Cb 0.13 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 2k4a h ASN 109 CO -0.11 -0.02 -1.10 0.74 -1.29 0.00 0.00 177.43 175.65 2k4a h THR 110 N 0.24 1.54 -1.81 -3.57 2.02 -1.62 -3.41 112.91 106.29 2k4a h THR 110 Ca 0.67 -3.02 -0.63 0.00 0.77 0.00 0.00 66.41 64.20 2k4a h THR 110 Cb 1.99 2.80 -0.13 0.00 -1.74 0.00 0.00 68.15 71.07 2k4a h THR 110 CO -0.30 0.88 1.14 -0.69 0.37 0.00 0.00 175.52 176.92 2k4a s VAL 111 N -2.81 4.24 0.46 3.16 1.01 0.19 -5.00 120.40 121.66 2k4a s VAL 111 Ca -0.03 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2k4a s VAL 111 Cb 0.08 -4.91 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 2k4a s VAL 111 CO 0.86 -1.73 1.30 1.51 0.00 0.00 0.00 175.10 177.04 2k4a s ASP 112 N 4.28 5.95 -1.03 3.32 -4.77 -1.26 -4.90 116.67 118.26 2k4a s ASP 112 Ca 0.38 2.64 -0.01 0.00 -3.30 0.00 0.00 52.55 52.26 2k4a s ASP 112 Cb -0.04 -2.63 0.32 0.00 -1.09 0.00 0.00 42.92 39.48 2k4a s ASP 112 CO -0.06 -1.09 1.84 2.22 0.70 0.00 0.00 175.17 178.78 2k4a n PHE 113 N -0.35 2.77 -0.07 2.11 -1.74 -1.26 -4.73 117.46 114.19 2k4a n PHE 113 Ca 0.06 -2.56 -0.14 0.00 -0.56 0.00 0.00 57.45 54.26 2k4a n PHE 113 Cb 0.45 -1.21 -0.05 0.00 1.52 0.00 0.00 39.48 40.18 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 4.20 0.67 0.00 4.97 0.00 -2.02 -3.47 103.07 107.42 2k4a h GLY 114 Ca 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2k4a h GLY 114 CO 1.19 0.66 0.00 1.42 0.00 0.00 0.00 176.54 179.81 2k4a n HIS 115 N -4.30 -2.52 -3.73 5.60 8.25 -1.26 -5.16 115.22 112.10 2k4a n HIS 115 Ca -0.05 0.43 -0.13 0.00 -0.26 0.00 0.00 57.72 57.71 2k4a n HIS 115 Cb 0.48 1.34 -0.08 0.00 1.12 0.00 0.00 29.99 32.85 2k4a n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k4a s VAL 116 N -1.32 0.06 -0.64 1.59 -7.23 -1.26 -4.58 120.40 107.01 2k4a s VAL 116 Ca 0.00 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 2k4a s VAL 116 Cb 0.00 -0.81 0.16 0.00 0.56 0.00 0.00 36.38 36.29 2k4a s VAL 116 CO 0.00 -0.29 0.43 -0.89 -0.31 0.00 0.00 175.10 174.03 2k4a s THR 117 N -1.96 3.05 -0.20 5.32 2.01 0.67 -4.98 115.64 119.56 2k4a s THR 117 Ca -0.09 -3.68 -0.05 0.00 0.31 0.00 0.00 61.69 58.18 2k4a s THR 117 Cb -0.03 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2k4a s THR 117 CO 0.01 -0.92 -0.01 -1.61 -0.69 0.00 0.00 174.62 171.40 2k4a s GLU 118 N -0.80 3.61 0.16 4.92 2.02 -1.26 0.77 118.70 128.12 2k4a s GLU 118 Ca 0.21 -0.53 -0.23 0.00 0.02 0.00 0.00 54.97 54.44 2k4a s GLU 118 Cb -0.15 -3.05 0.08 0.00 0.10 0.00 0.00 34.13 31.10 2k4a s GLU 118 CO -0.08 0.03 1.07 -1.83 0.02 0.00 0.00 175.26 174.47 2k4a s GLU 119 N 0.95 1.21 -0.22 1.61 -1.05 -0.30 -4.99 118.70 115.91 2k4a s GLU 119 Ca 0.01 -0.78 -0.08 0.00 -0.15 0.00 0.00 54.97 53.97 2k4a s GLU 119 Cb -0.14 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 2k4a s GLU 119 CO 0.02 -0.57 0.09 -1.58 0.95 0.00 0.00 175.26 174.17 2k4a s TRP 120 N -2.09 3.19 -0.18 4.83 0.23 -1.26 -2.01 118.94 121.65 2k4a s TRP 120 Ca 0.23 -0.07 -0.07 0.00 -2.03 0.00 0.00 56.10 54.16 2k4a s TRP 120 Cb -0.02 -2.18 -0.04 0.00 0.03 0.00 0.00 33.47 31.26 2k4a s TRP 120 CO 0.05 -0.06 0.07 0.50 0.96 0.00 0.00 176.95 178.47 2k4a s ARG 121 N 0.98 3.96 0.24 4.98 6.06 0.41 -4.95 118.95 130.63 2k4a s ARG 121 Ca 0.05 -0.33 -0.30 0.00 -2.50 0.00 0.00 55.73 52.65 2k4a s ARG 121 Cb -0.14 -3.22 -0.09 0.00 0.06 0.00 0.00 34.95 31.57 2k4a s ARG 121 CO 0.03 0.30 1.17 0.16 -2.50 0.00 0.00 175.30 174.46 2k4a s ASP 122 N 0.29 7.13 -0.40 -2.12 -4.77 -1.26 0.10 116.67 115.64 2k4a s ASP 122 Ca 0.04 2.30 -0.16 0.00 -3.30 0.00 0.00 52.55 51.43 2k4a s ASP 122 Cb -0.12 -2.62 0.01 0.00 -1.09 0.00 0.00 42.92 39.10 2k4a s ASP 122 CO 0.00 -0.29 0.38 -0.76 0.70 0.00 0.00 175.17 175.20 2k4a s LEU 123 N -0.93 4.84 -0.10 2.11 1.43 -0.26 -4.74 118.68 121.02 2k4a s LEU 123 Ca 0.49 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2k4a s LEU 123 Cb -0.33 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2k4a s LEU 123 CO 0.40 -0.49 0.21 0.00 0.23 0.00 0.00 176.35 176.71 2k4a s GLN 124 N 1.98 3.68 0.10 1.70 -2.07 -1.26 -0.15 119.66 123.64 2k4a s GLN 124 Ca 0.10 -0.00 -0.24 0.00 -1.82 0.00 0.00 55.36 53.40 2k4a s GLN 124 Cb -0.17 -3.24 -0.07 0.00 -1.09 0.00 0.00 33.01 28.44 2k4a s GLN 124 CO 0.12 0.67 0.73 -1.12 -1.32 0.00 0.00 175.29 174.37 2k4a s SER 125 N -0.79 7.26 -0.06 12.60 0.01 -1.26 0.91 113.70 132.37 2k4a s SER 125 Ca 0.16 1.49 0.04 0.00 1.31 0.00 0.00 55.95 58.96 2k4a s SER 125 Cb -0.13 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 2k4a s SER 125 CO 0.05 0.15 -0.19 0.00 0.41 0.00 0.00 173.24 173.66 2k4a s ALA 126 N -0.72 1.74 -1.19 1.44 0.00 -1.26 -4.69 121.76 117.09 2k4a s ALA 126 Ca 0.35 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 2k4a s ALA 126 Cb -0.21 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.36 2k4a s ALA 126 CO 0.24 0.29 1.62 -1.21 0.00 0.00 0.00 175.76 176.69 2k4a s GLU 127 N 0.13 3.83 0.00 0.00 2.02 -1.26 -4.77 118.70 118.65 2k4a s GLU 127 Ca -0.08 -1.65 0.21 0.00 0.02 0.00 0.00 54.97 53.47 2k4a s GLU 127 Cb -0.14 -5.47 0.17 0.00 0.10 0.00 0.00 34.13 28.79 2k4a s GLU 127 CO 0.04 -2.24 1.17 1.63 0.02 0.00 0.00 175.26 175.88