#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 1.11 0.08 3.49 -0.00 -1.26 -4.73 118.16 116.84 2k4a n LYS 2 Ca 0.00 -1.61 -0.08 0.00 -0.00 0.00 0.00 58.31 56.62 2k4a n LYS 2 Cb 0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 35.03 34.97 2k4a n LYS 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2k4a h LEU 3 N 1.76 0.08 0.00 -5.58 5.85 -1.74 -3.44 115.31 112.24 2k4a h LEU 3 Ca -0.33 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2k4a h LEU 3 Cb 1.29 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2k4a h LEU 3 CO -0.10 1.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.62 2k4a n GLY 4 N 1.22 0.15 3.12 3.75 0.00 -0.92 -3.04 105.19 109.47 2k4a n GLY 4 Ca -0.01 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.07 0.58 -0.05 1.61 1.02 -1.14 0.80 119.74 122.49 2k4a s LYS 5 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.33 2k4a s LYS 5 Cb 0.00 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 2k4a s LYS 5 CO 0.00 -0.15 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.06 2k4a s LEU 6 N -1.97 1.32 -0.13 3.17 0.20 0.52 -1.81 118.68 119.97 2k4a s LEU 6 Ca -0.07 -0.14 -0.14 0.00 0.69 0.00 0.00 54.13 54.47 2k4a s LEU 6 Cb -0.02 -0.48 -0.05 0.00 -0.43 0.00 0.00 46.19 45.21 2k4a s LEU 6 CO -0.03 -0.05 0.31 -1.10 -0.29 0.00 0.00 176.35 175.19 2k4a s GLN 7 N 0.96 4.14 0.05 1.98 -1.52 0.22 -0.85 119.66 124.64 2k4a s GLN 7 Ca -0.10 0.15 -0.19 0.00 -1.95 0.00 0.00 55.36 53.27 2k4a s GLN 7 Cb -0.14 -3.38 0.04 0.00 -0.22 0.00 0.00 33.01 29.31 2k4a s GLN 7 CO -0.00 0.35 0.43 1.52 -0.25 0.00 0.00 175.29 177.34 2k4a s TYR 8 N 0.12 -0.29 -0.22 0.91 1.13 -1.24 0.17 117.35 117.93 2k4a s TYR 8 Ca 0.18 0.24 -0.02 0.00 -1.41 0.00 0.00 57.07 56.07 2k4a s TYR 8 Cb -0.14 0.24 0.07 0.00 -1.10 0.00 0.00 41.96 41.03 2k4a s TYR 8 CO 0.06 -0.59 0.02 -1.54 -2.51 0.00 0.00 175.55 170.98 2k4a s SER 9 N -2.06 3.35 -0.06 -0.18 1.04 0.26 -3.25 113.70 112.80 2k4a s SER 9 Ca -0.05 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 2k4a s SER 9 Cb -0.01 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 2k4a s SER 9 CO -0.03 -0.30 -0.01 -0.76 0.98 0.00 0.00 173.24 173.12 2k4a s LEU 10 N 1.69 3.51 0.33 2.42 1.43 0.28 -2.23 118.68 126.11 2k4a s LEU 10 Ca -0.01 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 2k4a s LEU 10 Cb -0.18 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 2k4a s LEU 10 CO -0.10 0.35 0.07 1.51 0.23 0.00 0.00 176.35 178.41 2k4a s ASP 11 N -1.03 2.39 0.01 2.29 1.47 0.50 0.23 116.67 122.52 2k4a s ASP 11 Ca 0.15 -1.41 0.07 0.00 1.18 0.00 0.00 52.55 52.53 2k4a s ASP 11 Cb -0.11 -0.01 -0.02 0.00 -0.34 0.00 0.00 42.92 42.44 2k4a s ASP 11 CO 0.04 -0.65 -0.20 -0.72 0.68 0.00 0.00 175.17 174.32 2k4a s TYR 12 N -3.30 1.79 -0.18 2.11 1.13 -1.26 0.16 117.35 117.81 2k4a s TYR 12 Ca 0.35 -0.35 -0.02 0.00 -1.41 0.00 0.00 57.07 55.64 2k4a s TYR 12 Cb 0.08 -1.12 -0.01 0.00 -1.10 0.00 0.00 41.96 39.81 2k4a s TYR 12 CO 0.15 0.02 -0.10 0.34 -2.51 0.00 0.00 175.55 173.45 2k4a s ASP 13 N -0.75 4.07 -0.00 -0.18 -1.08 0.28 -4.90 116.67 114.11 2k4a s ASP 13 Ca 0.08 -0.38 0.20 0.00 -0.52 0.00 0.00 52.55 51.92 2k4a s ASP 13 Cb -0.08 -1.66 -0.22 0.00 -1.46 0.00 0.00 42.92 39.50 2k4a s ASP 13 CO 0.00 0.07 0.83 2.22 0.52 0.00 0.00 175.17 178.81 2k4a n PHE 14 N 4.20 0.00 0.07 -5.34 1.16 -1.26 -0.85 117.46 115.44 2k4a n PHE 14 Ca -0.18 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.19 2k4a n PHE 14 Cb 0.52 -0.02 -0.11 0.00 -1.61 0.00 0.00 39.48 38.26 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k4a h GLN 15 N 0.00 0.63 0.00 3.97 3.07 -1.95 -3.32 115.11 117.50 2k4a h GLN 15 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 58.65 57.98 2k4a h GLN 15 Cb 0.48 0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.28 2k4a h GLN 15 CO 0.00 1.33 -0.78 0.27 0.09 0.00 0.00 178.83 179.74 2k4a n ASN 16 N -3.80 0.83 -2.46 0.06 0.23 -1.26 -5.05 115.26 103.81 2k4a n ASN 16 Ca -0.12 -0.67 -0.02 0.00 -0.53 0.00 0.00 54.58 53.24 2k4a n ASN 16 Cb 0.93 1.10 0.00 0.00 -2.08 0.00 0.00 39.78 39.74 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 -1.41 -5.80 -3.53 0.53 3.02 -0.88 -4.90 115.26 102.29 2k4a n ASN 17 Ca 0.02 0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 2k4a n ASN 17 Cb 0.23 -3.82 -0.06 0.00 -0.61 0.00 0.00 39.78 35.52 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 -2.66 0.95 -0.16 3.52 1.03 -0.03 -2.38 119.66 119.94 2k4a s GLN 18 Ca 0.06 0.20 -0.10 0.00 0.04 0.00 0.00 55.36 55.55 2k4a s GLN 18 Cb -0.02 0.45 -0.05 0.00 0.03 0.00 0.00 33.01 33.42 2k4a s GLN 18 CO 0.49 -0.30 0.18 -0.51 -2.54 0.00 0.00 175.29 172.61 2k4a s LEU 19 N -1.24 4.28 -0.70 2.60 1.43 0.11 0.10 118.68 125.26 2k4a s LEU 19 Ca -0.08 0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 2k4a s LEU 19 Cb -0.00 -2.17 0.13 0.00 0.03 0.00 0.00 46.19 44.18 2k4a s LEU 19 CO 0.07 0.24 0.81 -0.22 0.23 0.00 0.00 176.35 177.47 2k4a s LEU 20 N -0.10 5.53 -0.50 1.79 1.98 0.43 0.37 118.68 128.18 2k4a s LEU 20 Ca 0.13 -1.76 -0.23 0.00 -2.89 0.00 0.00 54.13 49.38 2k4a s LEU 20 Cb -0.12 -2.31 0.04 0.00 0.66 0.00 0.00 46.19 44.46 2k4a s LEU 20 CO 0.02 -1.02 0.85 -0.69 -1.89 0.00 0.00 176.35 173.61 2k4a s VAL 21 N 2.30 4.54 -0.36 1.68 1.01 -0.02 -0.37 120.40 129.18 2k4a s VAL 21 Ca 0.17 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2k4a s VAL 21 Cb -0.18 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.85 2k4a s VAL 21 CO 0.01 -0.91 0.12 -0.83 0.00 0.00 0.00 175.10 173.49 2k4a s GLY 22 N 2.51 1.87 -0.19 4.51 0.00 -0.95 0.13 107.32 115.21 2k4a s GLY 22 Ca 0.29 -2.02 -0.13 0.00 0.00 0.00 0.00 44.72 42.85 2k4a s GLY 22 CO 0.20 0.85 0.28 -0.26 0.00 0.00 0.00 173.10 174.17 2k4a s ILE 23 N 1.29 5.29 -0.02 0.90 -0.00 -0.78 0.91 121.20 128.80 2k4a s ILE 23 Ca 0.01 0.49 -0.07 0.00 -0.00 0.00 0.00 60.65 61.07 2k4a s ILE 23 Cb -0.21 -3.62 -0.04 0.00 -0.00 0.00 0.00 42.46 38.59 2k4a s ILE 23 CO -0.00 0.34 0.52 0.40 -0.00 0.00 0.00 174.94 176.20 2k4a h ILE 24 N 4.86 0.00 -2.62 8.37 2.04 0.15 -1.65 117.51 128.65 2k4a h ILE 24 Ca -0.39 -0.28 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2k4a h ILE 24 Cb 1.16 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2k4a h ILE 24 CO 0.72 0.00 0.40 0.00 0.00 0.00 0.00 178.15 179.28 2k4a s GLN 25 N -2.55 1.50 0.01 2.37 1.03 -1.15 -0.97 119.66 119.90 2k4a s GLN 25 Ca -0.04 -0.87 0.01 0.00 0.04 0.00 0.00 55.36 54.50 2k4a s GLN 25 Cb 0.00 0.48 -0.01 0.00 0.03 0.00 0.00 33.01 33.52 2k4a s GLN 25 CO 0.12 -0.69 -0.04 0.00 -2.54 0.00 0.00 175.29 172.13 2k4a s ALA 26 N -3.17 0.32 0.07 2.60 0.00 -1.21 -0.61 121.76 119.75 2k4a s ALA 26 Ca 0.14 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2k4a s ALA 26 Cb -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2k4a s ALA 26 CO 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 175.76 175.75 2k4a s ALA 27 N -0.66 0.76 -0.11 0.00 0.00 -0.75 -3.48 121.76 117.52 2k4a s ALA 27 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2k4a s ALA 27 Cb -0.05 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2k4a s ALA 27 CO -0.00 -0.14 0.00 0.39 0.00 0.00 0.00 175.76 176.01 2k4a n GLU 28 N 0.69 -0.08 -2.11 0.00 1.02 -0.65 -2.89 120.64 116.61 2k4a n GLU 28 Ca -0.17 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 2k4a n GLU 28 Cb 0.58 -3.91 -0.03 0.00 -0.02 0.00 0.00 31.44 28.06 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 -0.28 4.39 0.86 -4.62 1.43 -1.17 -4.36 118.68 114.94 2k4a s LEU 29 Ca 0.00 2.49 -0.15 0.00 -1.03 0.00 0.00 54.13 55.44 2k4a s LEU 29 Cb 0.00 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 2k4a s LEU 29 CO 0.00 -0.64 0.03 -2.65 0.23 0.00 0.00 176.35 173.32 2k4a n PRO 30 N 2.95 -0.02 -3.35 1.29 -0.02 -1.26 -4.80 135.00 129.79 2k4a n PRO 30 Ca 0.08 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 2k4a n PRO 30 Cb 0.41 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.29 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -2.11 3.50 -0.10 3.55 0.00 -1.26 -4.53 121.76 120.81 2k4a s ALA 31 Ca 0.54 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 51.50 2k4a s ALA 31 Cb -0.26 -2.87 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 2k4a s ALA 31 CO 0.69 -1.06 0.06 1.28 0.00 0.00 0.00 175.76 176.73 2k4a n LEU 32 N 5.48 0.00 -4.82 0.00 7.99 -0.14 -4.84 117.00 120.68 2k4a n LEU 32 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.59 2k4a n LEU 32 Cb 0.49 0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 44.00 2k4a n LEU 32 CO 0.41 0.24 0.68 -0.62 -1.51 0.00 0.00 177.39 176.59 2k4a s ASP 33 N -4.24 6.61 -0.87 -1.43 2.15 0.49 -4.91 116.67 114.47 2k4a s ASP 33 Ca -0.05 1.72 -0.09 0.00 0.43 0.00 0.00 52.55 54.56 2k4a s ASP 33 Cb 0.04 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.05 2k4a s ASP 33 CO 0.46 -0.59 2.04 0.80 -0.17 0.00 0.00 175.17 177.71 2k4a n MET 34 N -1.10 1.92 0.00 4.34 0.00 -1.26 -3.45 117.12 117.56 2k4a n MET 34 Ca 0.08 -1.53 0.00 0.00 -0.00 0.00 0.00 57.70 56.24 2k4a n MET 34 Cb 0.54 -2.55 0.00 0.00 0.00 0.00 0.00 33.22 31.20 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 3.94 0.00 3.35 -5.12 0.00 -1.26 -4.97 105.19 101.13 2k4a n GLY 35 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N 0.00 -0.48 1.78 -0.02 0.00 -1.22 -4.88 105.19 100.36 2k4a n GLY 36 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -3.74 0.00 -3.85 2.61 -2.24 -1.25 -4.86 114.28 100.95 2k4a n THR 37 Ca -0.00 -0.82 -0.08 0.00 -2.27 0.00 0.00 64.05 60.88 2k4a n THR 37 Cb 0.53 0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2k4a n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k4a s SER 38 N -2.10 -0.13 -0.78 3.42 0.01 -1.26 0.18 113.70 113.04 2k4a s SER 38 Ca 0.13 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.57 2k4a s SER 38 Cb -0.01 0.77 0.30 0.00 0.21 0.00 0.00 66.02 67.29 2k4a s SER 38 CO 0.10 -1.47 1.15 0.47 0.41 0.00 0.00 173.24 173.89 2k4a n ASP 39 N -0.84 5.16 -4.68 2.44 9.92 -1.26 -0.25 116.55 127.04 2k4a n ASP 39 Ca -0.05 -3.55 -0.42 0.00 -0.53 0.00 0.00 54.79 50.23 2k4a n ASP 39 Cb 0.59 -0.85 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 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 -3.14 4.27 -0.05 -0.24 0.04 -1.15 -0.46 135.00 134.26 2k4a s PRO 40 Ca 0.40 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2k4a s PRO 40 Cb 0.17 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2k4a s PRO 40 CO -0.04 -0.61 -0.04 1.52 0.04 0.00 0.00 177.00 177.87 2k4a s TYR 41 N 2.67 0.79 0.32 0.56 -0.85 0.48 -2.86 117.35 118.46 2k4a s TYR 41 Ca 0.63 -0.23 -0.27 0.00 -0.52 0.00 0.00 57.07 56.68 2k4a s TYR 41 Cb -0.30 -0.72 -0.09 0.00 0.38 0.00 0.00 41.96 41.23 2k4a s TYR 41 CO 0.25 -0.23 0.99 0.08 -1.52 0.00 0.00 175.55 175.12 2k4a s VAL 42 N 1.09 3.97 -0.11 -3.49 1.01 -1.26 0.78 120.40 122.40 2k4a s VAL 42 Ca -0.08 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 2k4a s VAL 42 Cb -0.14 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2k4a s VAL 42 CO -0.01 0.20 -0.06 -1.59 0.00 0.00 0.00 175.10 173.63 2k4a s LYS 43 N -1.94 1.37 -0.06 2.72 -2.85 0.35 -0.37 119.74 118.97 2k4a s LYS 43 Ca 0.50 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.97 2k4a s LYS 43 Cb -0.22 -1.49 -0.03 0.00 -2.06 0.00 0.00 37.83 34.02 2k4a s LYS 43 CO 0.28 -0.28 1.14 0.14 0.10 0.00 0.00 175.35 176.74 2k4a s VAL 44 N 1.75 4.40 0.10 1.79 -7.23 -0.46 -1.23 120.40 119.52 2k4a s VAL 44 Ca 0.05 1.71 0.04 0.00 -1.81 0.00 0.00 61.98 61.97 2k4a s VAL 44 Cb -0.13 -4.10 -0.04 0.00 0.56 0.00 0.00 36.38 32.68 2k4a s VAL 44 CO -0.08 0.02 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.26 2k4a s PHE 45 N 2.01 1.10 0.19 2.82 0.40 -1.24 -3.86 117.98 119.40 2k4a s PHE 45 Ca 0.54 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 2k4a s PHE 45 Cb -0.23 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.65 2k4a s PHE 45 CO 0.22 0.02 -0.03 -0.51 0.70 0.00 0.00 175.22 175.61 2k4a s LEU 46 N -2.37 2.28 0.00 -0.37 2.01 -1.26 -0.10 118.68 118.87 2k4a s LEU 46 Ca 0.05 -1.14 -0.18 0.00 0.01 0.00 0.00 54.13 52.86 2k4a s LEU 46 Cb -0.04 -0.25 0.28 0.00 0.01 0.00 0.00 46.19 46.19 2k4a s LEU 46 CO 0.01 -0.47 0.63 0.00 1.01 0.00 0.00 176.35 177.53 2k4a n LEU 47 N -0.31 0.00 -0.05 1.79 -0.00 -0.42 -4.19 117.00 113.82 2k4a n LEU 47 Ca -0.07 -0.64 0.03 0.00 -0.00 0.00 0.00 56.01 55.33 2k4a n LEU 47 Cb 0.63 -0.75 0.06 0.00 -0.00 0.00 0.00 43.42 43.35 2k4a n LEU 47 CO 0.35 -2.51 0.13 -2.65 -0.00 0.00 0.00 177.39 172.71 2k4a n PRO 48 N -4.52 -0.01 -0.35 1.47 -0.02 -1.26 0.55 135.00 130.85 2k4a n PRO 48 Ca 0.10 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.78 2k4a n PRO 48 Cb 0.44 -0.38 0.01 0.00 -0.02 0.00 0.00 33.50 33.55 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4a n ASP 49 N -3.84 -0.67 -1.39 2.55 2.03 -1.26 -4.74 116.55 109.24 2k4a n ASP 49 Ca 0.04 1.57 -0.08 0.00 0.52 0.00 0.00 54.79 56.85 2k4a n ASP 49 Cb 0.14 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 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 -5.27 -1.35 -1.37 -0.67 4.76 0.19 -4.80 118.16 109.64 2k4a n LYS 50 Ca 0.07 0.44 -0.33 0.00 -2.87 0.00 0.00 58.31 55.63 2k4a n LYS 50 Cb 0.33 -4.64 -0.06 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 -1.66 3.42 0.00 1.97 5.02 -1.26 -4.70 118.16 120.95 2k4a n LYS 51 Ca -0.08 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 2k4a n LYS 51 Cb 0.29 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 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 2.87 0.00 -3.45 1.97 2.85 -1.26 -4.36 118.16 116.79 2k4a n LYS 52 Ca 0.67 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.76 2k4a n LYS 52 Cb 0.40 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.66 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 -0.17 0.25 -0.02 -1.58 2.20 -1.26 -4.63 119.74 114.52 2k4a s LYS 53 Ca 0.00 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 2k4a s LYS 53 Cb 0.00 -0.96 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 2k4a s LYS 53 CO 0.00 -0.74 -0.09 0.12 -0.36 0.00 0.00 175.35 174.29 2k4a s PHE 54 N 2.37 0.89 -0.21 4.03 2.19 -1.25 -5.03 117.98 120.98 2k4a s PHE 54 Ca 0.09 -0.21 -0.04 0.00 0.33 0.00 0.00 56.93 57.10 2k4a s PHE 54 Cb -0.15 -0.63 -0.01 0.00 -1.31 0.00 0.00 43.02 40.91 2k4a s PHE 54 CO -0.17 -0.09 -0.04 -2.00 1.83 0.00 0.00 175.22 174.75 2k4a s GLU 55 N 0.15 3.42 0.90 10.12 2.12 -1.26 -1.36 118.70 132.78 2k4a s GLU 55 Ca -0.02 -0.61 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 2k4a s GLU 55 Cb -0.08 -2.98 0.13 0.00 0.26 0.00 0.00 34.13 31.46 2k4a s GLU 55 CO 0.00 -0.12 1.11 0.95 -0.54 0.00 0.00 175.26 176.66 2k4a s THR 56 N 1.29 2.34 -0.30 -1.70 -4.23 0.51 -4.94 115.64 108.61 2k4a s THR 56 Ca 0.04 0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.37 2k4a s THR 56 Cb -0.14 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 2k4a s THR 56 CO -0.02 -0.15 1.72 -0.75 -0.54 0.00 0.00 174.62 174.89 2k4a s LYS 57 N -5.16 3.48 0.29 3.99 2.36 -1.26 -4.69 119.74 118.74 2k4a s LYS 57 Ca 0.63 1.46 -0.30 0.00 -2.55 0.00 0.00 55.97 55.22 2k4a s LYS 57 Cb -0.16 -4.14 -0.12 0.00 -1.05 0.00 0.00 37.83 32.36 2k4a s LYS 57 CO 0.55 -1.68 1.53 1.55 1.55 0.00 0.00 175.35 178.85 2k4a n VAL 58 N 7.14 1.11 -3.79 4.02 3.14 -1.26 -4.82 118.33 123.86 2k4a n VAL 58 Ca 0.21 -0.28 -0.37 0.00 -2.96 0.00 0.00 64.34 60.95 2k4a n VAL 58 Cb 0.46 -1.83 -0.12 0.00 -1.06 0.00 0.00 33.84 31.29 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 -0.14 3.40 0.27 1.45 0.09 -1.13 -5.00 115.29 114.23 2k4a s HIS 59 Ca 0.64 -1.95 -0.29 0.00 -0.00 0.00 0.00 55.06 53.45 2k4a s HIS 59 Cb -0.53 -2.67 -0.10 0.00 -0.00 0.00 0.00 32.58 29.28 2k4a s HIS 59 CO 0.50 -0.86 1.26 -0.98 -0.00 0.00 0.00 174.74 174.66 2k4a s ARG 60 N 1.26 4.44 -0.70 1.40 1.04 -1.26 -2.94 118.95 122.18 2k4a s ARG 60 Ca 0.02 2.05 -0.13 0.00 -1.04 0.00 0.00 55.73 56.63 2k4a s ARG 60 Cb -0.21 -3.15 0.02 0.00 -2.04 0.00 0.00 34.95 29.57 2k4a s ARG 60 CO -0.01 -0.12 0.62 1.63 -0.04 0.00 0.00 175.30 177.38 2k4a n LYS 61 N 1.60 -1.66 -3.61 3.89 4.76 -0.42 -4.90 118.16 117.81 2k4a n LYS 61 Ca 0.02 0.95 -0.03 0.00 -2.87 0.00 0.00 58.31 56.38 2k4a n LYS 61 Cb 0.43 -2.12 -0.06 0.00 -1.84 0.00 0.00 35.03 31.44 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 -2.48 -0.21 -0.28 -0.18 -1.32 0.65 -4.83 115.64 107.00 2k4a s THR 62 Ca 0.13 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.76 2k4a s THR 62 Cb -0.01 -1.00 0.65 0.00 -1.51 0.00 0.00 72.50 70.62 2k4a s THR 62 CO 0.89 0.00 1.56 0.18 -2.21 0.00 0.00 174.62 175.03 2k4a n LEU 63 N 4.34 4.63 -2.73 9.08 4.77 -1.26 -4.42 117.00 131.40 2k4a n LEU 63 Ca -0.17 -2.92 -0.09 0.00 -0.03 0.00 0.00 56.01 52.80 2k4a n LEU 63 Cb 0.56 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2k4a n LEU 63 CO -0.01 0.67 0.37 -3.20 -1.33 0.00 0.00 177.39 173.88 2k4a n ASN 64 N 0.05 -2.20 -4.75 -1.43 5.15 -1.26 -1.63 115.26 109.18 2k4a n ASN 64 Ca 0.24 -3.43 -0.38 0.00 -0.60 0.00 0.00 54.58 50.40 2k4a n ASN 64 Cb 1.00 1.70 -0.06 0.00 -0.53 0.00 0.00 39.78 41.89 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 0.21 4.27 -0.09 1.20 0.04 -1.23 -4.95 135.00 134.45 2k4a s PRO 65 Ca 0.22 0.51 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 2k4a s PRO 65 Cb 0.31 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2k4a s PRO 65 CO -0.06 0.29 -0.01 0.14 0.04 0.00 0.00 177.00 177.40 2k4a s VAL 66 N 0.16 4.21 0.00 -0.36 -7.23 -1.26 -3.34 120.40 112.58 2k4a s VAL 66 Ca 0.27 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2k4a s VAL 66 Cb -0.16 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2k4a s VAL 66 CO 0.12 0.59 0.00 0.33 -0.31 0.00 0.00 175.10 175.84 2k4a n PHE 67 N 2.28 0.00 -3.01 2.82 -0.00 -0.36 -5.01 117.46 114.18 2k4a n PHE 67 Ca -0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.14 2k4a n PHE 67 Cb 0.53 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 40.07 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 -1.28 -2.95 -4.77 -2.13 5.15 -0.15 -4.99 115.26 104.14 2k4a n ASN 68 Ca 0.00 -0.38 -0.34 0.00 -0.60 0.00 0.00 54.58 53.27 2k4a n ASN 68 Cb 0.00 -3.42 0.03 0.00 -0.53 0.00 0.00 39.78 35.86 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 -5.19 3.04 -0.18 1.20 2.56 -0.67 -4.75 118.70 114.71 2k4a s GLU 69 Ca 0.12 1.45 -0.03 0.00 0.00 0.00 0.00 54.97 56.51 2k4a s GLU 69 Cb -0.05 -1.98 -0.02 0.00 2.00 0.00 0.00 34.13 34.08 2k4a s GLU 69 CO 0.46 -1.07 -0.05 -1.14 -0.56 0.00 0.00 175.26 172.90 2k4a s GLN 70 N -3.82 3.49 -0.25 4.30 -0.44 -1.26 -1.86 119.66 119.82 2k4a s GLN 70 Ca 0.69 -0.60 -0.07 0.00 -2.50 0.00 0.00 55.36 52.88 2k4a s GLN 70 Cb -0.21 -2.92 -0.02 0.00 -1.64 0.00 0.00 33.01 28.22 2k4a s GLN 70 CO 0.36 0.03 0.05 0.12 0.50 0.00 0.00 175.29 176.35 2k4a s PHE 71 N 0.89 3.06 -1.06 1.67 5.36 0.36 -4.96 117.98 123.30 2k4a s PHE 71 Ca -0.01 -0.58 -0.21 0.00 -0.96 0.00 0.00 56.93 55.17 2k4a s PHE 71 Cb -0.15 -2.21 0.07 0.00 -0.34 0.00 0.00 43.02 40.38 2k4a s PHE 71 CO 0.01 -0.42 1.46 0.99 -1.46 0.00 0.00 175.22 175.81 2k4a s THR 72 N 1.58 4.07 -1.11 0.12 2.01 -1.26 -0.84 115.64 120.21 2k4a s THR 72 Ca 0.06 -1.09 -0.21 0.00 0.31 0.00 0.00 61.69 60.76 2k4a s THR 72 Cb -0.15 -5.05 -0.07 0.00 0.01 0.00 0.00 72.50 67.24 2k4a s THR 72 CO 0.02 -1.90 1.92 0.33 -0.69 0.00 0.00 174.62 174.30 2k4a n PHE 73 N 8.47 2.90 -1.86 4.92 -0.00 0.16 -4.89 117.46 127.16 2k4a n PHE 73 Ca 0.35 -1.94 -0.33 0.00 -0.00 0.00 0.00 57.45 55.53 2k4a n PHE 73 Cb 0.50 -2.36 -0.04 0.00 -0.00 0.00 0.00 39.48 37.58 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 2.35 -0.29 -4.13 -0.14 -1.26 0.09 119.74 121.71 2k4a s LYS 74 Ca 0.61 0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 55.66 2k4a s LYS 74 Cb 0.06 -4.61 0.17 0.00 -1.68 0.00 0.00 37.83 31.77 2k4a s LYS 74 CO 0.10 -3.20 1.19 0.08 -0.76 0.00 0.00 175.35 172.77 2k4a s VAL 75 N 10.77 0.00 0.21 3.17 1.01 -1.00 -4.74 120.40 129.82 2k4a s VAL 75 Ca 0.79 0.00 -0.32 0.00 0.00 0.00 0.00 61.98 62.45 2k4a s VAL 75 Cb -0.13 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.14 2k4a s VAL 75 CO 0.17 0.00 1.70 -2.84 0.00 0.00 0.00 175.10 174.12 2k4a s PRO 76 N 0.70 4.13 0.31 2.72 0.02 -1.23 -3.33 135.00 138.32 2k4a s PRO 76 Ca -0.02 2.59 0.08 0.00 0.02 0.00 0.00 61.00 63.67 2k4a s PRO 76 Cb -0.04 -3.07 0.86 0.00 0.02 0.00 0.00 34.50 32.27 2k4a s PRO 76 CO -0.12 -0.73 1.71 0.10 -0.33 0.00 0.00 177.00 177.63 2k4a h TYR 77 N 6.60 0.87 -0.32 6.54 -0.00 -1.88 0.69 116.97 129.47 2k4a h TYR 77 Ca -0.43 0.04 -0.06 0.00 0.00 0.00 0.00 58.73 58.27 2k4a h TYR 77 Cb 1.20 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 37.68 2k4a h TYR 77 CO 0.64 -0.02 -0.08 0.77 -0.00 0.00 0.00 178.16 179.47 2k4a h SER 78 N 0.47 0.49 0.87 0.10 0.02 -2.00 -2.81 113.55 110.70 2k4a h SER 78 Ca 0.63 -0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 61.23 2k4a h SER 78 Cb 1.24 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2k4a h SER 78 CO -0.52 0.62 -1.09 -0.08 -1.14 0.00 0.00 176.83 174.62 2k4a h GLU 79 N 0.49 0.09 -1.05 3.45 4.81 -0.22 -3.33 114.58 118.81 2k4a h GLU 79 Ca 0.10 -0.15 0.43 0.00 -0.13 0.00 0.00 59.36 59.60 2k4a h GLU 79 Cb 0.43 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.70 2k4a h GLU 79 CO 0.02 1.07 0.59 1.25 -0.73 0.00 0.00 179.01 181.21 2k4a h LEU 80 N 0.02 0.31 -1.86 1.64 6.46 -0.01 0.43 115.31 122.30 2k4a h LEU 80 Ca -0.05 0.24 0.33 0.00 -0.12 0.00 0.00 57.88 58.28 2k4a h LEU 80 Cb 1.84 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 41.96 2k4a h LEU 80 CO 0.15 -0.41 0.81 1.23 -0.62 0.00 0.00 178.44 179.61 2k4a h GLY 81 N 0.01 0.26 -3.43 3.75 0.00 -1.70 0.54 103.07 102.50 2k4a h GLY 81 Ca 0.85 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 48.01 2k4a h GLY 81 CO -0.72 -0.04 0.16 0.61 0.00 0.00 0.00 176.54 176.55 2k4a n GLY 82 N -1.71 3.22 3.40 4.60 0.00 0.15 -3.93 105.19 110.92 2k4a n GLY 82 Ca 0.25 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -2.68 1.48 -0.17 1.61 3.01 0.19 -4.87 119.74 118.31 2k4a s LYS 83 Ca 0.49 -1.71 -0.05 0.00 -1.01 0.00 0.00 55.97 53.69 2k4a s LYS 83 Cb 0.39 -1.17 0.06 0.00 -1.01 0.00 0.00 37.83 36.10 2k4a s LYS 83 CO 0.13 0.10 0.09 0.99 0.51 0.00 0.00 175.35 177.17 2k4a s THR 84 N -2.98 -0.08 0.02 2.17 2.01 -1.26 -2.70 115.64 112.82 2k4a s THR 84 Ca 0.27 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 2k4a s THR 84 Cb 0.02 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.88 2k4a s THR 84 CO 0.10 -0.27 1.63 -0.22 -0.69 0.00 0.00 174.62 175.17 2k4a s LEU 85 N 2.13 4.35 -0.47 4.42 0.20 -0.68 -1.29 118.68 127.34 2k4a s LEU 85 Ca 0.02 2.37 0.09 0.00 0.69 0.00 0.00 54.13 57.29 2k4a s LEU 85 Cb -0.16 -3.55 0.36 0.00 -0.43 0.00 0.00 46.19 42.41 2k4a s LEU 85 CO -0.09 -0.88 0.88 1.33 -0.29 0.00 0.00 176.35 177.30 2k4a n VAL 86 N 4.96 1.59 -2.07 1.68 0.24 0.86 0.06 118.33 125.65 2k4a n VAL 86 Ca 0.16 -4.96 -0.41 0.00 -2.04 0.00 0.00 64.34 57.09 2k4a n VAL 86 Cb 0.42 -0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 31.97 2k4a n VAL 86 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2k4a s MET 87 N -3.04 4.31 0.12 7.34 0.00 -1.19 -3.65 119.30 123.20 2k4a s MET 87 Ca 0.44 2.25 0.04 0.00 0.00 0.00 0.00 55.69 58.42 2k4a s MET 87 Cb 0.33 -3.09 -0.04 0.00 0.00 0.00 0.00 34.83 32.03 2k4a s MET 87 CO -0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 175.02 174.52 2k4a s ALA 88 N -0.59 1.30 -0.20 4.11 0.00 -0.37 -1.41 121.76 124.59 2k4a s ALA 88 Ca 0.54 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2k4a s ALA 88 Cb -0.40 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2k4a s ALA 88 CO 0.48 -0.07 -0.06 0.54 0.00 0.00 0.00 175.76 176.65 2k4a s VAL 89 N -2.97 3.35 0.09 0.00 0.11 -0.18 0.13 120.40 120.93 2k4a s VAL 89 Ca 0.12 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 2k4a s VAL 89 Cb 0.00 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 2k4a s VAL 89 CO 0.00 0.44 -0.08 -0.47 -3.33 0.00 0.00 175.10 171.67 2k4a s TYR 90 N 1.25 2.81 0.33 1.54 5.04 0.23 -3.29 117.35 125.26 2k4a s TYR 90 Ca 0.03 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.55 2k4a s TYR 90 Cb -0.14 -1.48 -0.03 0.00 0.35 0.00 0.00 41.96 40.65 2k4a s TYR 90 CO -0.02 0.43 0.52 0.34 -1.34 0.00 0.00 175.55 175.48 2k4a s ASP 91 N -2.11 6.30 -0.33 4.32 2.15 -0.89 0.18 116.67 126.30 2k4a s ASP 91 Ca 0.22 0.41 0.17 0.00 0.43 0.00 0.00 52.55 53.77 2k4a s ASP 91 Cb -0.11 -2.01 0.45 0.00 -0.30 0.00 0.00 42.92 40.94 2k4a s ASP 91 CO 0.14 -0.26 0.93 0.33 -0.17 0.00 0.00 175.17 176.14 2k4a n PHE 92 N -1.68 1.09 -0.49 -5.34 7.35 0.39 -4.55 117.46 114.23 2k4a n PHE 92 Ca -0.05 -2.92 0.40 0.00 -0.76 0.00 0.00 57.45 54.12 2k4a n PHE 92 Cb 0.56 -0.38 0.70 0.00 0.35 0.00 0.00 39.48 40.71 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 2.99 0.16 -0.40 -2.13 2.03 -1.90 -3.43 116.42 113.73 2k4a h ASP 93 Ca -0.07 0.08 -0.05 0.00 -0.73 0.00 0.00 57.03 56.26 2k4a h ASP 93 Cb 1.15 0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2k4a h ASP 93 CO 0.51 -0.09 -0.07 0.54 -1.03 0.00 0.00 179.24 179.10 2k4a n ARG 94 N -4.42 -0.23 0.00 4.15 1.74 -1.26 -4.88 116.66 111.77 2k4a n ARG 94 Ca 0.37 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2k4a n ARG 94 Cb 1.52 -3.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 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 -3.99 -0.84 -2.06 -1.55 7.35 -1.26 -5.15 117.46 109.96 2k4a n PHE 95 Ca -0.03 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.44 2k4a n PHE 95 Cb 0.52 0.40 0.14 0.00 0.35 0.00 0.00 39.48 40.89 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 -2.19 0.49 -4.58 -2.13 3.41 -1.26 -4.91 113.62 102.45 2k4a n SER 96 Ca 0.00 -1.61 -0.30 0.00 -0.26 0.00 0.00 58.87 56.70 2k4a n SER 96 Cb 0.00 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 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 -5.09 2.69 0.00 4.33 -0.14 -1.26 -4.88 119.74 115.40 2k4a s LYS 97 Ca 0.59 -1.19 -0.13 0.00 -1.36 0.00 0.00 55.97 53.88 2k4a s LYS 97 Cb -0.02 -5.26 -0.06 0.00 -1.68 0.00 0.00 37.83 30.80 2k4a s LYS 97 CO 0.41 -3.71 0.34 0.72 -0.76 0.00 0.00 175.35 172.34 2k4a n HIS 98 N 13.58 0.18 -4.06 3.18 8.25 -1.26 -4.91 115.22 130.18 2k4a n HIS 98 Ca 0.45 0.35 -0.24 0.00 -0.26 0.00 0.00 57.72 58.01 2k4a n HIS 98 Cb 0.47 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.02 5.74 -1.05 0.41 2.15 -1.26 -4.87 116.67 117.77 2k4a s ASP 99 Ca 0.29 -0.11 -0.18 0.00 0.43 0.00 0.00 52.55 52.99 2k4a s ASP 99 Cb -0.41 -1.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.78 2k4a s ASP 99 CO 0.19 0.01 1.31 -0.63 -0.17 0.00 0.00 175.17 175.88 2k4a s ILE 100 N -1.92 4.62 0.46 4.11 1.01 -1.26 -2.08 121.20 126.14 2k4a s ILE 100 Ca 0.33 -1.75 0.34 0.00 0.00 0.00 0.00 60.65 59.56 2k4a s ILE 100 Cb -0.09 -4.90 0.53 0.00 0.01 0.00 0.00 42.46 38.01 2k4a s ILE 100 CO 0.25 -1.65 1.63 0.16 0.00 0.00 0.00 174.94 175.33 2k4a h ILE 101 N 5.67 0.13 0.00 2.92 -2.65 -1.90 -3.44 117.51 118.24 2k4a h ILE 101 Ca 0.23 -0.02 0.00 0.00 1.03 0.00 0.00 64.86 66.10 2k4a h ILE 101 Cb 0.97 0.05 0.00 0.00 -2.05 0.00 0.00 36.82 35.79 2k4a h ILE 101 CO 1.23 0.01 0.00 0.61 0.03 0.00 0.00 178.15 180.03 2k4a n GLY 102 N -1.60 -1.31 0.29 0.16 0.00 -1.21 -4.59 105.19 96.92 2k4a n GLY 102 Ca 0.37 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2k4a n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k4a n GLU 103 N -0.08 0.03 -2.06 1.61 -0.00 0.44 -1.01 120.64 119.56 2k4a n GLU 103 Ca 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.16 57.08 2k4a n GLU 103 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 31.44 31.56 2k4a n GLU 103 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 2k4a n PHE 104 N -0.06 -0.62 -3.55 -1.84 -1.74 -0.50 -0.90 117.46 108.24 2k4a n PHE 104 Ca 0.00 -0.26 -0.08 0.00 -0.56 0.00 0.00 57.45 56.55 2k4a n PHE 104 Cb 0.04 0.12 -0.03 0.00 1.52 0.00 0.00 39.48 41.13 2k4a n PHE 104 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 2k4a s LYS 105 N -2.01 0.61 -0.04 3.97 0.00 -1.26 -3.15 119.74 117.86 2k4a s LYS 105 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 55.97 55.93 2k4a s LYS 105 Cb -0.01 0.28 0.02 0.00 0.00 0.00 0.00 37.83 38.13 2k4a s LYS 105 CO 0.01 -0.23 0.08 0.54 0.00 0.00 0.00 175.35 175.75 2k4a s VAL 106 N -2.10 -0.03 -0.48 1.79 0.11 0.11 -4.97 120.40 114.82 2k4a s VAL 106 Ca 0.03 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.93 2k4a s VAL 106 Cb -0.01 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 2k4a s VAL 106 CO -0.04 0.05 2.02 -2.16 -3.33 0.00 0.00 175.10 171.64 2k4a s PRO 107 N 0.71 2.69 0.24 1.54 0.04 -1.26 -1.69 135.00 137.27 2k4a s PRO 107 Ca -0.06 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 2k4a s PRO 107 Cb -0.08 -4.39 0.44 0.00 0.04 0.00 0.00 34.50 30.51 2k4a s PRO 107 CO -0.03 -2.62 1.73 0.52 0.04 0.00 0.00 177.00 176.64 2k4a h MET 108 N 15.70 0.43 -0.93 4.56 2.86 -1.77 0.22 114.93 136.00 2k4a h MET 108 Ca -0.28 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2k4a h MET 108 Cb 1.20 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 2k4a h MET 108 CO 1.14 0.29 0.60 -0.97 1.06 0.00 0.00 176.91 179.02 2k4a h ASN 109 N 0.45 0.98 -0.07 1.22 -0.73 -1.68 -1.90 115.58 113.83 2k4a h ASN 109 Ca 0.40 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.42 2k4a h ASN 109 Cb 0.60 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 2k4a h ASN 109 CO -0.39 0.65 -0.48 0.74 -0.37 0.00 0.00 177.43 177.58 2k4a h THR 110 N 1.13 1.30 -2.86 -3.57 2.02 -1.40 -3.43 112.91 106.10 2k4a h THR 110 Ca 0.39 -1.68 -0.55 0.00 0.77 0.00 0.00 66.41 65.34 2k4a h THR 110 Cb 0.08 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2k4a h THR 110 CO -0.15 0.53 0.88 -0.69 0.37 0.00 0.00 175.52 176.47 2k4a s VAL 111 N -4.15 3.76 0.15 3.16 1.01 -0.12 -5.00 120.40 119.21 2k4a s VAL 111 Ca -0.08 1.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2k4a s VAL 111 Cb 0.12 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2k4a s VAL 111 CO 0.84 -0.03 0.60 1.51 0.00 0.00 0.00 175.10 178.03 2k4a s ASP 112 N 2.12 6.94 -0.51 3.32 1.47 -1.26 -4.90 116.67 123.84 2k4a s ASP 112 Ca 0.64 1.21 0.02 0.00 1.18 0.00 0.00 52.55 55.61 2k4a s ASP 112 Cb -0.31 -2.34 0.45 0.00 -0.34 0.00 0.00 42.92 40.38 2k4a s ASP 112 CO 0.25 0.12 1.66 2.22 0.68 0.00 0.00 175.17 180.10 2k4a n PHE 113 N 0.97 3.03 -0.19 2.11 -1.74 -1.26 -4.72 117.46 115.66 2k4a n PHE 113 Ca -0.05 -2.67 -0.08 0.00 -0.56 0.00 0.00 57.45 54.08 2k4a n PHE 113 Cb 0.51 -0.94 0.02 0.00 1.52 0.00 0.00 39.48 40.59 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 2.14 0.91 0.00 4.97 0.00 -2.01 -3.46 103.07 105.63 2k4a h GLY 114 Ca 0.50 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2k4a h GLY 114 CO 1.22 0.51 0.00 1.42 0.00 0.00 0.00 176.54 179.69 2k4a n HIS 115 N -4.45 -0.40 -3.71 5.60 8.25 -1.26 -5.10 115.22 114.15 2k4a n HIS 115 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 2k4a n HIS 115 Cb 0.21 0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.44 -0.02 -0.55 1.59 -7.23 -1.26 -4.13 120.40 108.37 2k4a s VAL 116 Ca 0.00 0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 60.02 2k4a s VAL 116 Cb 0.00 -0.60 0.06 0.00 0.56 0.00 0.00 36.38 36.40 2k4a s VAL 116 CO 0.00 0.02 0.78 -0.89 -0.31 0.00 0.00 175.10 174.70 2k4a s THR 117 N 0.95 4.64 -0.24 5.32 2.01 0.62 -4.90 115.64 124.03 2k4a s THR 117 Ca -0.06 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2k4a s THR 117 Cb -0.06 -4.44 0.07 0.00 0.01 0.00 0.00 72.50 68.07 2k4a s THR 117 CO -0.08 -1.02 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.20 2k4a s GLU 118 N 3.25 1.44 0.22 4.92 2.02 -1.26 0.10 118.70 129.39 2k4a s GLU 118 Ca 0.21 -0.99 -0.13 0.00 0.02 0.00 0.00 54.97 54.07 2k4a s GLU 118 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2k4a s GLU 118 CO 0.14 -0.65 0.46 -1.83 0.02 0.00 0.00 175.26 173.40 2k4a s GLU 119 N 1.43 1.46 -0.66 1.61 -1.05 -1.20 -5.05 118.70 115.24 2k4a s GLU 119 Ca -0.03 -1.15 -0.20 0.00 -0.15 0.00 0.00 54.97 53.44 2k4a s GLU 119 Cb -0.19 0.47 0.10 0.00 -0.44 0.00 0.00 34.13 34.07 2k4a s GLU 119 CO -0.08 -0.60 0.85 -1.58 0.95 0.00 0.00 175.26 174.80 2k4a s TRP 120 N -3.98 2.91 0.04 4.83 0.23 -1.26 -3.65 118.94 118.06 2k4a s TRP 120 Ca 0.18 -0.89 -0.30 0.00 -2.03 0.00 0.00 56.10 53.06 2k4a s TRP 120 Cb -0.00 -4.14 -0.04 0.00 0.03 0.00 0.00 33.47 29.31 2k4a s TRP 120 CO 0.05 -1.44 1.03 0.50 0.96 0.00 0.00 176.95 178.05 2k4a s ARG 121 N 3.12 4.55 0.14 4.98 6.06 -0.03 -4.91 118.95 132.86 2k4a s ARG 121 Ca 0.18 1.52 -0.23 0.00 -2.50 0.00 0.00 55.73 54.69 2k4a s ARG 121 Cb -0.19 -3.42 -0.08 0.00 0.06 0.00 0.00 34.95 31.33 2k4a s ARG 121 CO 0.05 -0.06 0.72 0.16 -2.50 0.00 0.00 175.30 173.67 2k4a s ASP 122 N 0.85 7.28 -0.15 -2.12 -4.77 -1.26 0.19 116.67 116.69 2k4a s ASP 122 Ca 0.53 1.53 -0.10 0.00 -3.30 0.00 0.00 52.55 51.21 2k4a s ASP 122 Cb -0.24 -2.46 -0.05 0.00 -1.09 0.00 0.00 42.92 39.09 2k4a s ASP 122 CO 0.29 0.22 0.17 -0.76 0.70 0.00 0.00 175.17 175.79 2k4a s LEU 123 N -1.18 4.30 0.21 2.11 1.43 0.24 -4.76 118.68 121.02 2k4a s LEU 123 Ca 0.34 0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.95 2k4a s LEU 123 Cb -0.22 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2k4a s LEU 123 CO 0.24 0.26 -0.16 0.00 0.23 0.00 0.00 176.35 176.92 2k4a s GLN 124 N -0.23 1.81 -0.36 1.70 -2.07 -0.07 -2.16 119.66 118.28 2k4a s GLN 124 Ca 0.13 -1.46 -0.09 0.00 -1.82 0.00 0.00 55.36 52.11 2k4a s GLN 124 Cb -0.12 -1.97 0.04 0.00 -1.09 0.00 0.00 33.01 29.86 2k4a s GLN 124 CO 0.02 0.40 0.17 -1.12 -1.32 0.00 0.00 175.29 173.44 2k4a s SER 125 N -2.96 5.57 -0.17 12.60 0.01 -1.26 0.17 113.70 127.65 2k4a s SER 125 Ca 0.25 -1.09 -0.07 0.00 1.31 0.00 0.00 55.95 56.34 2k4a s SER 125 Cb -0.08 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2k4a s SER 125 CO 0.14 -0.38 0.07 0.00 0.41 0.00 0.00 173.24 173.48 2k4a s ALA 126 N 1.48 3.45 -0.33 1.44 0.00 -1.26 -4.27 121.76 122.27 2k4a s ALA 126 Ca 0.01 -0.74 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 2k4a s ALA 126 Cb -0.20 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 2k4a s ALA 126 CO 0.05 0.22 2.24 -1.21 0.00 0.00 0.00 175.76 177.07 2k4a s GLU 127 N 0.23 2.77 0.00 0.00 2.02 -1.26 -4.90 118.70 117.55 2k4a s GLU 127 Ca 0.04 1.73 0.02 0.00 0.02 0.00 0.00 54.97 56.78 2k4a s GLU 127 Cb -0.12 -4.44 0.02 0.00 0.10 0.00 0.00 34.13 29.69 2k4a s GLU 127 CO 0.00 -2.52 0.57 1.63 0.02 0.00 0.00 175.26 174.96