#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 1.07 -0.07 3.49 0.00 -1.26 -4.01 119.74 118.96 2k4a s LYS 2 Ca 0.00 -0.44 0.20 0.00 0.00 0.00 0.00 55.97 55.73 2k4a s LYS 2 Cb 0.00 -1.02 0.37 0.00 0.00 0.00 0.00 37.83 37.18 2k4a s LYS 2 CO 0.00 0.24 1.15 -0.11 0.00 0.00 0.00 175.35 176.63 2k4a n LEU 3 N 2.89 0.62 0.00 2.77 7.94 0.19 -2.92 117.00 128.49 2k4a n LEU 3 Ca -0.15 -2.26 0.00 0.00 -1.11 0.00 0.00 56.01 52.49 2k4a n LEU 3 Cb 0.55 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.60 2k4a n LEU 3 CO 0.25 0.84 0.00 0.61 -1.11 0.00 0.00 177.39 177.98 2k4a n GLY 4 N 0.09 1.52 3.16 -3.96 0.00 -1.21 -4.55 105.19 100.24 2k4a n GLY 4 Ca -0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 0.48 -0.12 1.61 1.02 -1.21 -2.93 119.74 118.59 2k4a s LYS 5 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.92 2k4a s LYS 5 Cb 0.00 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.51 2k4a s LYS 5 CO 0.00 -0.11 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.01 2k4a s LEU 6 N -0.84 2.69 -0.20 3.17 2.96 0.24 -3.43 118.68 123.28 2k4a s LEU 6 Ca -0.09 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 2k4a s LEU 6 Cb -0.05 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2k4a s LEU 6 CO 0.02 0.19 -0.01 0.00 -1.32 0.00 0.00 176.35 175.23 2k4a s GLN 7 N 0.19 3.58 0.19 1.98 0.00 -1.21 0.18 119.66 124.57 2k4a s GLN 7 Ca -0.08 -0.54 -0.12 0.00 -0.00 0.00 0.00 55.36 54.62 2k4a s GLN 7 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 33.01 29.82 2k4a s GLN 7 CO 0.05 0.01 0.39 1.52 0.00 0.00 0.00 175.29 177.26 2k4a s TYR 8 N 1.00 0.21 -0.26 9.60 -0.85 -1.16 0.12 117.35 126.01 2k4a s TYR 8 Ca 0.01 -0.57 -0.02 0.00 -0.52 0.00 0.00 57.07 55.97 2k4a s TYR 8 Cb -0.14 0.13 0.08 0.00 0.38 0.00 0.00 41.96 42.41 2k4a s TYR 8 CO 0.01 -0.83 0.07 -1.54 -1.52 0.00 0.00 175.55 171.75 2k4a s SER 9 N -2.94 3.55 -0.07 -0.18 1.04 0.31 -2.62 113.70 112.80 2k4a s SER 9 Ca 0.15 -1.27 -0.21 0.00 0.48 0.00 0.00 55.95 55.10 2k4a s SER 9 Cb 0.01 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 2k4a s SER 9 CO 0.00 -0.37 0.60 -0.76 0.98 0.00 0.00 173.24 173.69 2k4a s LEU 10 N 1.75 4.33 0.37 2.42 1.43 0.31 -2.07 118.68 127.22 2k4a s LEU 10 Ca 0.05 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 2k4a s LEU 10 Cb -0.17 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 2k4a s LEU 10 CO -0.19 -0.02 0.00 -0.62 0.23 0.00 0.00 176.35 175.75 2k4a s ASP 11 N 0.49 3.98 -0.02 2.29 2.15 0.36 0.17 116.67 126.09 2k4a s ASP 11 Ca 0.32 -1.18 -0.01 0.00 0.43 0.00 0.00 52.55 52.10 2k4a s ASP 11 Cb -0.17 -0.43 0.01 0.00 -0.30 0.00 0.00 42.92 42.03 2k4a s ASP 11 CO 0.15 -0.33 0.04 -0.72 -0.17 0.00 0.00 175.17 174.14 2k4a s TYR 12 N -2.62 -0.04 -0.04 -5.34 1.13 -1.26 0.21 117.35 109.39 2k4a s TYR 12 Ca 0.35 0.12 0.07 0.00 -1.41 0.00 0.00 57.07 56.19 2k4a s TYR 12 Cb 0.04 -0.00 -0.01 0.00 -1.10 0.00 0.00 41.96 40.89 2k4a s TYR 12 CO 0.18 -0.03 -0.25 0.34 -2.51 0.00 0.00 175.55 173.29 2k4a s ASP 13 N 0.11 2.96 -0.19 -0.18 -1.08 0.97 -4.90 116.67 114.36 2k4a s ASP 13 Ca -0.01 -0.48 0.17 0.00 -0.52 0.00 0.00 52.55 51.72 2k4a s ASP 13 Cb -0.01 -0.63 -0.25 0.00 -1.46 0.00 0.00 42.92 40.57 2k4a s ASP 13 CO -0.00 0.26 0.09 2.22 0.52 0.00 0.00 175.17 178.26 2k4a n PHE 14 N 2.78 0.04 -0.34 -5.34 1.16 -1.26 -1.11 117.46 113.39 2k4a n PHE 14 Ca -0.17 0.02 -0.00 0.00 -1.87 0.00 0.00 57.45 55.42 2k4a n PHE 14 Cb 0.52 -1.01 0.13 0.00 -1.61 0.00 0.00 39.48 37.51 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 1.10 -0.35 3.97 3.07 -1.95 -2.20 115.11 118.75 2k4a h GLN 15 Ca -0.54 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.13 2k4a h GLN 15 Cb 2.23 -0.25 0.00 0.00 0.08 0.00 0.00 27.48 29.54 2k4a h GLN 15 CO 0.03 0.73 0.00 0.27 0.09 0.00 0.00 178.83 179.95 2k4a n ASN 16 N -4.52 2.94 -3.53 0.06 0.23 -1.26 -5.03 115.26 104.15 2k4a n ASN 16 Ca 0.12 -1.92 -0.30 0.00 -0.53 0.00 0.00 54.58 51.95 2k4a n ASN 16 Cb 0.11 -0.23 0.02 0.00 -2.08 0.00 0.00 39.78 37.61 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 0.74 -5.59 -3.59 0.53 3.02 -0.83 -4.85 115.26 104.69 2k4a n ASN 17 Ca 0.13 -0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.21 2k4a n ASN 17 Cb 0.44 -2.13 -0.06 0.00 -0.61 0.00 0.00 39.78 37.43 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 -3.29 0.64 0.14 3.52 1.03 -0.27 -2.88 119.66 118.56 2k4a s GLN 18 Ca 0.23 0.30 -0.08 0.00 0.04 0.00 0.00 55.36 55.85 2k4a s GLN 18 Cb -0.03 0.30 -0.06 0.00 0.03 0.00 0.00 33.01 33.26 2k4a s GLN 18 CO 0.87 -0.17 0.44 -0.51 -2.54 0.00 0.00 175.29 173.38 2k4a s LEU 19 N -0.75 4.27 -0.44 2.60 1.43 0.48 -0.02 118.68 126.25 2k4a s LEU 19 Ca -0.02 0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 53.78 2k4a s LEU 19 Cb -0.02 -3.30 0.11 0.00 0.03 0.00 0.00 46.19 43.02 2k4a s LEU 19 CO 0.01 0.06 0.28 -0.22 0.23 0.00 0.00 176.35 176.71 2k4a s LEU 20 N -2.42 5.49 -0.60 1.79 1.98 0.57 0.70 118.68 126.18 2k4a s LEU 20 Ca 0.40 -1.94 -0.23 0.00 -2.89 0.00 0.00 54.13 49.46 2k4a s LEU 20 Cb -0.13 -1.94 0.06 0.00 0.66 0.00 0.00 46.19 44.84 2k4a s LEU 20 CO 0.21 -0.63 0.95 -0.69 -1.89 0.00 0.00 176.35 174.30 2k4a s VAL 21 N 1.27 4.36 -0.47 1.68 1.01 0.08 0.13 120.40 128.47 2k4a s VAL 21 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2k4a s VAL 21 Cb -0.25 -4.61 0.12 0.00 0.00 0.00 0.00 36.38 31.65 2k4a s VAL 21 CO -0.02 -1.28 0.26 -0.83 0.00 0.00 0.00 175.10 173.23 2k4a s GLY 22 N 3.25 2.14 0.49 4.51 0.00 -0.88 0.25 107.32 117.09 2k4a s GLY 22 Ca 0.26 -2.76 -0.05 0.00 0.00 0.00 0.00 44.72 42.17 2k4a s GLY 22 CO 0.14 1.04 0.79 -0.26 0.00 0.00 0.00 173.10 174.82 2k4a s ILE 23 N 0.76 4.83 -0.13 0.90 -0.00 -1.23 0.11 121.20 126.45 2k4a s ILE 23 Ca 0.11 0.18 -0.09 0.00 -0.00 0.00 0.00 60.65 60.85 2k4a s ILE 23 Cb -0.22 -3.84 -0.03 0.00 -0.00 0.00 0.00 42.46 38.37 2k4a s ILE 23 CO -0.04 -0.83 -0.18 -0.38 -0.00 0.00 0.00 174.94 173.51 2k4a n ILE 24 N -2.28 1.26 -3.59 8.37 5.41 0.32 -3.86 119.36 125.00 2k4a n ILE 24 Ca 0.01 0.24 -0.05 0.00 1.00 0.00 0.00 62.75 63.95 2k4a n ILE 24 Cb 0.55 -2.29 -0.02 0.00 -0.71 0.00 0.00 39.64 37.17 2k4a n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4a s GLN 25 N -2.18 0.35 0.02 0.38 -2.07 -1.21 -1.66 119.66 113.29 2k4a s GLN 25 Ca -0.15 -0.10 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 2k4a s GLN 25 Cb 0.02 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 2k4a s GLN 25 CO 0.22 -0.15 -0.00 0.00 -1.32 0.00 0.00 175.29 174.04 2k4a s ALA 26 N -2.30 3.27 0.02 2.60 0.00 -0.42 -3.29 121.76 121.66 2k4a s ALA 26 Ca 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2k4a s ALA 26 Cb -0.01 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2k4a s ALA 26 CO -0.05 0.66 -0.04 0.00 0.00 0.00 0.00 175.76 176.33 2k4a s ALA 27 N -1.13 0.19 -0.76 0.00 0.00 -1.22 -1.95 121.76 116.89 2k4a s ALA 27 Ca 0.21 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 2k4a s ALA 27 Cb -0.12 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2k4a s ALA 27 CO 0.12 -0.15 0.66 0.39 0.00 0.00 0.00 175.76 176.78 2k4a n GLU 28 N 1.53 -4.40 -3.08 0.00 1.02 -0.26 -3.31 120.64 112.15 2k4a n GLU 28 Ca -0.24 0.49 -0.39 0.00 -0.02 0.00 0.00 57.16 57.01 2k4a n GLU 28 Cb 0.55 -4.49 -0.06 0.00 -0.02 0.00 0.00 31.44 27.42 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 -4.66 4.56 0.40 -4.62 1.43 -0.98 -3.29 118.68 111.53 2k4a s LEU 29 Ca 0.21 1.50 -0.24 0.00 -1.03 0.00 0.00 54.13 54.58 2k4a s LEU 29 Cb -0.09 -3.15 -0.12 0.00 0.03 0.00 0.00 46.19 42.85 2k4a s LEU 29 CO 0.43 0.22 0.82 -2.65 0.23 0.00 0.00 176.35 175.40 2k4a n PRO 30 N 1.71 0.99 -2.91 1.29 -0.02 -1.26 -4.78 135.00 130.02 2k4a n PRO 30 Ca -0.07 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 2k4a n PRO 30 Cb 0.49 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.32 3.23 -0.09 3.55 0.00 -1.26 -4.57 121.76 121.30 2k4a s ALA 31 Ca 0.63 -1.17 0.22 0.00 0.00 0.00 0.00 51.96 51.64 2k4a s ALA 31 Cb -0.60 -3.61 -0.25 0.00 0.00 0.00 0.00 23.12 18.66 2k4a s ALA 31 CO 0.57 -2.18 0.62 -0.11 0.00 0.00 0.00 175.76 174.67 2k4a n LEU 32 N 7.08 0.22 -4.88 0.00 -0.00 -0.42 -4.77 117.00 114.23 2k4a n LEU 32 Ca 0.02 0.09 -0.30 0.00 -0.00 0.00 0.00 56.01 55.81 2k4a n LEU 32 Cb 0.48 -0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.86 2k4a n LEU 32 CO 0.61 -0.04 0.40 -0.62 -0.00 0.00 0.00 177.39 177.75 2k4a s ASP 33 N -4.76 6.52 -0.29 1.96 2.15 0.45 -4.94 116.67 117.76 2k4a s ASP 33 Ca -0.06 1.07 -0.05 0.00 0.43 0.00 0.00 52.55 53.94 2k4a s ASP 33 Cb 0.13 -2.30 -0.17 0.00 -0.30 0.00 0.00 42.92 40.28 2k4a s ASP 33 CO 0.88 -0.35 2.78 0.80 -0.17 0.00 0.00 175.17 179.10 2k4a n MET 34 N -1.18 1.82 -1.59 4.34 0.00 -1.26 -3.26 117.12 115.99 2k4a n MET 34 Ca 0.02 -1.00 -0.02 0.00 -0.00 0.00 0.00 57.70 56.69 2k4a n MET 34 Cb 0.54 -2.05 0.03 0.00 0.00 0.00 0.00 33.22 31.74 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 2.87 0.48 2.91 -5.12 0.00 -1.26 -4.98 105.19 100.09 2k4a n GLY 35 Ca 0.39 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.52 -0.51 2.29 -0.02 0.00 -1.20 -4.93 105.19 100.29 2k4a n GLY 36 Ca -0.13 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -4.11 0.00 -3.84 2.61 -2.24 -1.25 -4.84 114.28 100.61 2k4a n THR 37 Ca -0.12 -1.07 -0.06 0.00 -2.27 0.00 0.00 64.05 60.52 2k4a n THR 37 Cb 0.61 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.43 -0.22 -0.74 3.42 0.01 -1.26 0.17 113.70 112.65 2k4a s SER 38 Ca 0.17 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.84 2k4a s SER 38 Cb -0.01 0.70 0.32 0.00 0.21 0.00 0.00 66.02 67.24 2k4a s SER 38 CO 0.13 -1.30 1.20 0.47 0.41 0.00 0.00 173.24 174.15 2k4a n ASP 39 N -0.55 5.33 -4.68 2.44 9.92 -1.26 0.11 116.55 127.85 2k4a n ASP 39 Ca -0.05 -3.64 -0.42 0.00 -0.53 0.00 0.00 54.79 50.15 2k4a n ASP 39 Cb 0.59 -0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 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 -3.55 4.34 -0.04 -0.24 0.04 -1.26 -0.78 135.00 133.51 2k4a s PRO 40 Ca 0.44 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.16 2k4a s PRO 40 Cb 0.22 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2k4a s PRO 40 CO -0.11 -0.46 -0.13 1.52 0.04 0.00 0.00 177.00 177.86 2k4a s TYR 41 N 2.33 1.35 -0.03 0.56 -0.85 0.28 -4.29 117.35 116.70 2k4a s TYR 41 Ca 0.55 -0.40 -0.30 0.00 -0.52 0.00 0.00 57.07 56.40 2k4a s TYR 41 Cb -0.24 -0.95 -0.03 0.00 0.38 0.00 0.00 41.96 41.13 2k4a s TYR 41 CO 0.21 -0.17 1.00 0.14 -1.52 0.00 0.00 175.55 175.21 2k4a s VAL 42 N 0.26 4.79 -0.22 -3.49 -7.23 -1.26 0.34 120.40 113.59 2k4a s VAL 42 Ca -0.06 2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 62.11 2k4a s VAL 42 Cb -0.11 -4.29 0.01 0.00 0.56 0.00 0.00 36.38 32.54 2k4a s VAL 42 CO 0.02 0.11 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.24 2k4a s LYS 43 N 1.30 3.09 0.20 4.82 -2.85 0.50 -2.68 119.74 124.12 2k4a s LYS 43 Ca 0.51 -0.80 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 2k4a s LYS 43 Cb -0.21 -2.88 -0.10 0.00 -2.06 0.00 0.00 37.83 32.59 2k4a s LYS 43 CO 0.25 -0.27 1.46 0.14 0.10 0.00 0.00 175.35 177.03 2k4a s VAL 44 N 1.38 2.81 0.01 1.79 -7.23 -0.87 -1.02 120.40 117.26 2k4a s VAL 44 Ca 0.04 0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 60.82 2k4a s VAL 44 Cb -0.15 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 2k4a s VAL 44 CO -0.06 0.08 0.01 -0.36 -0.31 0.00 0.00 175.10 174.45 2k4a s PHE 45 N 0.52 0.16 0.27 2.82 0.08 -1.26 -4.28 117.98 116.28 2k4a s PHE 45 Ca 0.63 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.38 2k4a s PHE 45 Cb -0.41 -0.12 -0.06 0.00 -0.57 0.00 0.00 43.02 41.86 2k4a s PHE 45 CO 0.37 -0.16 0.07 -0.51 -0.10 0.00 0.00 175.22 174.89 2k4a s LEU 46 N -1.09 1.92 0.00 -0.37 2.01 -1.26 0.72 118.68 120.61 2k4a s LEU 46 Ca -0.12 -1.35 -0.12 0.00 0.01 0.00 0.00 54.13 52.55 2k4a s LEU 46 Cb -0.07 -0.16 0.19 0.00 0.01 0.00 0.00 46.19 46.15 2k4a s LEU 46 CO -0.00 -0.65 0.43 0.00 1.01 0.00 0.00 176.35 177.13 2k4a n LEU 47 N -0.53 0.00 -0.11 1.79 -0.00 -0.10 -4.28 117.00 113.77 2k4a n LEU 47 Ca -0.02 -0.44 0.07 0.00 -0.00 0.00 0.00 56.01 55.63 2k4a n LEU 47 Cb 0.66 -0.49 0.13 0.00 -0.00 0.00 0.00 43.42 43.73 2k4a n LEU 47 CO 0.39 -2.13 0.30 -2.65 -0.00 0.00 0.00 177.39 173.30 2k4a n PRO 48 N -3.83 -0.02 -0.33 1.47 -0.01 -1.26 0.11 135.00 131.13 2k4a n PRO 48 Ca 0.07 0.48 -0.04 0.00 -0.01 0.00 0.00 63.50 64.00 2k4a n PRO 48 Cb 0.29 -0.81 -0.01 0.00 -0.01 0.00 0.00 33.50 32.97 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 -4.08 -0.67 -2.71 2.55 2.03 -1.26 -4.73 116.55 107.68 2k4a n ASP 49 Ca 0.10 1.46 -0.08 0.00 0.52 0.00 0.00 54.79 56.79 2k4a n ASP 49 Cb 0.32 -0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 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 -5.16 -2.68 -2.65 -0.67 4.76 0.12 -4.83 118.16 107.04 2k4a n LYS 50 Ca 0.06 0.18 -0.42 0.00 -2.87 0.00 0.00 58.31 55.27 2k4a n LYS 50 Cb 0.29 -4.73 0.01 0.00 -1.84 0.00 0.00 35.03 28.77 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 -2.78 5.02 0.00 1.97 5.02 -1.26 -4.66 118.16 121.47 2k4a n LYS 51 Ca -0.03 -4.45 0.00 0.00 -2.02 0.00 0.00 58.31 51.81 2k4a n LYS 51 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 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 0.69 0.00 -3.56 1.97 2.85 -1.26 -4.50 118.16 114.35 2k4a n LYS 52 Ca 0.43 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.28 2k4a n LYS 52 Cb 0.28 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.55 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 2.89 -0.03 -1.58 2.20 -1.26 -4.59 119.74 117.36 2k4a s LYS 53 Ca 0.00 -1.05 -0.00 0.00 -0.36 0.00 0.00 55.97 54.56 2k4a s LYS 53 Cb 0.00 -3.79 0.03 0.00 -1.51 0.00 0.00 37.83 32.56 2k4a s LYS 53 CO 0.00 -0.70 0.01 0.12 -0.36 0.00 0.00 175.35 174.42 2k4a s PHE 54 N 1.59 0.30 -0.12 4.03 2.19 -1.26 -5.05 117.98 119.66 2k4a s PHE 54 Ca 0.03 0.02 -0.02 0.00 0.33 0.00 0.00 56.93 57.29 2k4a s PHE 54 Cb -0.19 -0.45 -0.03 0.00 -1.31 0.00 0.00 43.02 41.04 2k4a s PHE 54 CO 0.08 -0.15 -0.04 -2.00 1.83 0.00 0.00 175.22 174.93 2k4a s GLU 55 N 1.25 3.30 0.92 10.12 2.12 -1.26 -2.05 118.70 133.10 2k4a s GLU 55 Ca -0.07 -0.50 -0.16 0.00 0.36 0.00 0.00 54.97 54.60 2k4a s GLU 55 Cb -0.13 -2.81 0.21 0.00 0.26 0.00 0.00 34.13 31.66 2k4a s GLU 55 CO -0.02 0.44 1.25 0.25 -0.54 0.00 0.00 175.26 176.64 2k4a n THR 56 N 2.92 0.00 -2.79 -1.70 -2.24 -1.09 -5.04 114.28 104.34 2k4a n THR 56 Ca -0.18 -0.91 -0.40 0.00 -2.27 0.00 0.00 64.05 60.29 2k4a n THR 56 Cb 0.53 -1.54 -0.06 0.00 -2.10 0.00 0.00 70.33 67.16 2k4a n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k4a s LYS 57 N -5.72 4.80 0.14 -0.78 2.20 -1.26 -4.92 119.74 114.19 2k4a s LYS 57 Ca 0.71 1.43 -0.31 0.00 -0.36 0.00 0.00 55.97 57.43 2k4a s LYS 57 Cb -0.02 -3.28 -0.10 0.00 -1.51 0.00 0.00 37.83 32.92 2k4a s LYS 57 CO 0.50 0.51 1.74 0.54 -0.36 0.00 0.00 175.35 178.28 2k4a s VAL 58 N -1.11 2.50 -1.00 4.02 0.11 -1.26 -4.78 120.40 118.88 2k4a s VAL 58 Ca 0.40 0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 59.51 2k4a s VAL 58 Cb -0.25 -3.10 0.25 0.00 -1.53 0.00 0.00 36.38 31.75 2k4a s VAL 58 CO 0.31 0.00 0.97 -1.00 -3.33 0.00 0.00 175.10 172.05 2k4a s HIS 59 N 2.15 4.08 -0.41 1.54 0.09 -1.26 -5.01 115.29 116.46 2k4a s HIS 59 Ca 0.77 -2.48 -0.37 0.00 -0.00 0.00 0.00 55.06 52.98 2k4a s HIS 59 Cb -0.46 -3.80 -0.16 0.00 -0.00 0.00 0.00 32.58 28.17 2k4a s HIS 59 CO 0.34 -0.95 1.64 2.89 -0.00 0.00 0.00 174.74 178.66 2k4a n ARG 60 N 3.12 0.00 -2.00 1.40 -4.01 -1.26 -3.33 116.66 110.57 2k4a n ARG 60 Ca 0.20 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.89 2k4a n ARG 60 Cb 0.42 -1.24 0.01 0.00 -3.04 0.00 0.00 32.46 28.61 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 5.35 -0.61 -3.65 2.89 4.76 -1.18 -4.96 118.16 120.77 2k4a n LYS 61 Ca 0.40 0.54 -0.07 0.00 -2.87 0.00 0.00 58.31 56.31 2k4a n LYS 61 Cb -0.04 -0.74 -0.07 0.00 -1.84 0.00 0.00 35.03 32.34 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 -0.59 -0.12 -2.25 -0.18 -1.32 0.29 -4.75 115.64 106.72 2k4a s THR 62 Ca 0.11 0.02 0.20 0.00 -1.21 0.00 0.00 61.69 60.81 2k4a s THR 62 Cb -0.01 -0.94 0.45 0.00 -1.51 0.00 0.00 72.50 70.49 2k4a s THR 62 CO 0.26 0.01 1.44 0.18 -2.21 0.00 0.00 174.62 174.30 2k4a n LEU 63 N 4.46 2.74 -2.88 9.08 4.77 -1.26 -4.22 117.00 129.68 2k4a n LEU 63 Ca -0.19 -1.24 -0.16 0.00 -0.03 0.00 0.00 56.01 54.38 2k4a n LEU 63 Cb 0.57 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2k4a n LEU 63 CO -0.01 0.62 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.36 2k4a n ASN 64 N 1.01 1.79 -4.61 -1.43 5.15 -1.26 -1.10 115.26 114.81 2k4a n ASN 64 Ca 0.18 -3.01 -0.43 0.00 -0.60 0.00 0.00 54.58 50.72 2k4a n ASN 64 Cb 0.47 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N -2.92 3.30 -0.00 1.20 0.04 -0.82 -4.80 135.00 131.00 2k4a s PRO 65 Ca 0.36 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.53 2k4a s PRO 65 Cb 0.39 -4.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 2k4a s PRO 65 CO -0.05 -1.91 -0.07 0.14 0.04 0.00 0.00 177.00 175.16 2k4a s VAL 66 N 7.62 3.66 0.00 -0.36 -7.23 -1.26 -1.30 120.40 121.53 2k4a s VAL 66 Ca 0.98 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2k4a s VAL 66 Cb -0.34 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2k4a s VAL 66 CO 0.36 0.41 0.00 0.33 -0.31 0.00 0.00 175.10 175.89 2k4a n PHE 67 N 1.60 -0.07 -2.25 2.82 -0.00 -1.19 -5.04 117.46 113.32 2k4a n PHE 67 Ca -0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.24 2k4a n PHE 67 Cb 0.53 0.01 0.03 0.00 -0.00 0.00 0.00 39.48 40.05 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 -1.11 -2.82 -4.79 -2.13 5.15 -0.66 -5.03 115.26 103.87 2k4a n ASN 68 Ca 0.00 -0.22 -0.35 0.00 -0.60 0.00 0.00 54.58 53.41 2k4a n ASN 68 Cb 0.00 -2.03 -0.06 0.00 -0.53 0.00 0.00 39.78 37.17 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 -3.91 4.30 -0.16 1.20 2.02 -1.25 -4.82 118.70 116.07 2k4a s GLU 69 Ca 0.08 1.33 -0.08 0.00 0.02 0.00 0.00 54.97 56.31 2k4a s GLU 69 Cb -0.01 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 2k4a s GLU 69 CO 0.24 0.01 0.13 -1.14 0.02 0.00 0.00 175.26 174.52 2k4a s GLN 70 N -2.60 3.82 -0.18 1.61 -0.44 -1.26 -3.47 119.66 117.13 2k4a s GLN 70 Ca 0.57 -0.19 -0.04 0.00 -2.50 0.00 0.00 55.36 53.21 2k4a s GLN 70 Cb -0.17 -3.29 -0.02 0.00 -1.64 0.00 0.00 33.01 27.89 2k4a s GLN 70 CO 0.22 0.52 -0.04 0.12 0.50 0.00 0.00 175.29 176.61 2k4a s PHE 71 N -0.29 2.98 -0.62 1.67 5.36 0.14 -4.97 117.98 122.24 2k4a s PHE 71 Ca 0.11 -0.57 -0.23 0.00 -0.96 0.00 0.00 56.93 55.28 2k4a s PHE 71 Cb -0.12 -2.02 0.06 0.00 -0.34 0.00 0.00 43.02 40.61 2k4a s PHE 71 CO 0.01 -0.26 0.95 0.99 -1.46 0.00 0.00 175.22 175.44 2k4a s THR 72 N 0.86 4.35 -1.32 0.12 2.01 -1.26 -0.74 115.64 119.65 2k4a s THR 72 Ca -0.01 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.65 2k4a s THR 72 Cb -0.15 -4.63 0.08 0.00 0.01 0.00 0.00 72.50 67.81 2k4a s THR 72 CO 0.01 -1.34 1.82 0.33 -0.69 0.00 0.00 174.62 174.75 2k4a n PHE 73 N 7.60 4.37 -1.93 4.92 -0.00 0.22 -4.93 117.46 127.71 2k4a n PHE 73 Ca -0.02 -2.93 -0.39 0.00 -0.00 0.00 0.00 57.45 54.11 2k4a n PHE 73 Cb 0.46 -2.54 -0.03 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 3.50 2.62 0.00 -4.13 -0.14 -1.26 -0.39 119.74 119.94 2k4a s LYS 74 Ca 0.50 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 2k4a s LYS 74 Cb 0.06 -4.40 0.00 0.00 -1.68 0.00 0.00 37.83 31.80 2k4a s LYS 74 CO 0.03 -2.72 0.00 1.55 -0.76 0.00 0.00 175.35 173.45 2k4a n VAL 75 N 7.41 0.00 -1.64 3.17 3.14 -1.14 -4.77 118.33 124.50 2k4a n VAL 75 Ca 0.24 0.00 -0.47 0.00 -2.96 0.00 0.00 64.34 61.15 2k4a n VAL 75 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 2k4a n VAL 75 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k4a n PRO 76 N -0.03 1.76 -0.14 1.45 -0.02 -1.23 -3.57 135.00 133.21 2k4a n PRO 76 Ca 0.00 0.63 0.27 0.00 -2.02 0.00 0.00 63.50 62.38 2k4a n PRO 76 Cb 0.00 -2.29 0.72 0.00 -0.02 0.00 0.00 33.50 31.91 2k4a n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k4a h TYR 77 N 4.66 0.00 -0.46 6.00 -0.00 -1.89 0.40 116.97 125.69 2k4a h TYR 77 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.17 2k4a h TYR 77 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 2k4a h TYR 77 CO 0.58 0.00 -0.12 0.66 -0.00 0.00 0.00 178.16 179.28 2k4a h SER 78 N 0.00 0.90 0.52 0.10 4.64 -1.99 -2.82 113.55 114.89 2k4a h SER 78 Ca 0.39 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2k4a h SER 78 Cb 1.61 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2k4a h SER 78 CO -0.00 1.06 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.62 2k4a h GLU 79 N 0.73 0.00 -1.28 4.77 5.08 -0.55 -2.95 114.58 120.39 2k4a h GLU 79 Ca 0.11 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.84 2k4a h GLU 79 Cb 0.67 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2k4a h GLU 79 CO 0.05 0.06 0.90 1.25 -1.00 0.00 0.00 179.01 180.27 2k4a h LEU 80 N 0.00 0.08 -1.99 1.33 6.46 -1.21 0.54 115.31 120.53 2k4a h LEU 80 Ca -0.00 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 2k4a h LEU 80 Cb 0.34 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2k4a h LEU 80 CO 0.01 -0.00 0.42 1.23 -0.62 0.00 0.00 178.44 179.48 2k4a h GLY 81 N 0.06 0.00 -2.95 3.75 0.00 -1.72 0.19 103.07 102.39 2k4a h GLY 81 Ca 0.63 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.68 2k4a h GLY 81 CO -0.07 0.00 -0.77 0.61 0.00 0.00 0.00 176.54 176.30 2k4a n GLY 82 N -1.45 4.77 2.87 4.60 0.00 0.19 -4.37 105.19 111.80 2k4a n GLY 82 Ca 0.06 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 2k4a n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4a s LYS 83 N -3.11 1.25 -0.41 1.61 2.47 -0.05 -4.86 119.74 116.65 2k4a s LYS 83 Ca 0.41 -1.05 -0.16 0.00 -1.56 0.00 0.00 55.97 53.61 2k4a s LYS 83 Cb 0.38 -2.46 0.02 0.00 -1.46 0.00 0.00 37.83 34.30 2k4a s LYS 83 CO -0.03 -0.74 0.38 0.99 0.16 0.00 0.00 175.35 176.11 2k4a s THR 84 N 1.45 5.16 0.13 3.43 2.01 -1.26 -0.54 115.64 126.01 2k4a s THR 84 Ca 0.01 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 2k4a s THR 84 Cb -0.18 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 2k4a s THR 84 CO -0.11 -0.34 1.21 -0.22 -0.69 0.00 0.00 174.62 174.47 2k4a s LEU 85 N 1.97 4.41 -0.28 4.42 0.20 0.66 -0.93 118.68 129.13 2k4a s LEU 85 Ca 0.10 2.16 0.21 0.00 0.69 0.00 0.00 54.13 57.28 2k4a s LEU 85 Cb -0.18 -3.59 0.49 0.00 -0.43 0.00 0.00 46.19 42.48 2k4a s LEU 85 CO 0.12 -0.43 1.08 1.33 -0.29 0.00 0.00 176.35 178.16 2k4a n VAL 86 N 3.17 1.12 -1.67 1.68 0.24 0.22 0.63 118.33 123.73 2k4a n VAL 86 Ca 0.07 -2.87 -0.44 0.00 -2.04 0.00 0.00 64.34 59.06 2k4a n VAL 86 Cb 0.45 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 2k4a n VAL 86 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2k4a n MET 87 N -0.47 1.96 -4.34 7.34 0.00 -1.12 -4.21 117.12 116.28 2k4a n MET 87 Ca 0.07 0.69 -0.20 0.00 0.00 0.00 0.00 57.70 58.26 2k4a n MET 87 Cb 0.81 -2.28 -0.11 0.00 0.00 0.00 0.00 33.22 31.65 2k4a n MET 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k4a s ALA 88 N -0.61 2.00 -0.25 -5.12 0.00 -0.19 -1.02 121.76 116.57 2k4a s ALA 88 Ca 0.62 -1.56 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 2k4a s ALA 88 Cb -0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2k4a s ALA 88 CO 0.56 0.16 0.05 0.54 0.00 0.00 0.00 175.76 177.06 2k4a s VAL 89 N -2.47 3.99 -0.06 0.00 0.11 0.22 0.19 120.40 122.38 2k4a s VAL 89 Ca 0.19 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 2k4a s VAL 89 Cb -0.04 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.88 2k4a s VAL 89 CO 0.07 0.29 -0.00 -0.47 -3.33 0.00 0.00 175.10 171.66 2k4a s TYR 90 N 1.55 3.12 0.53 1.54 5.04 0.15 -2.67 117.35 126.61 2k4a s TYR 90 Ca 0.05 0.15 -0.06 0.00 -2.44 0.00 0.00 57.07 54.77 2k4a s TYR 90 Cb -0.15 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.38 2k4a s TYR 90 CO 0.02 0.46 0.84 0.34 -1.34 0.00 0.00 175.55 175.87 2k4a s ASP 91 N -1.07 6.07 -0.35 4.32 2.15 -0.62 0.10 116.67 127.27 2k4a s ASP 91 Ca 0.15 0.92 0.15 0.00 0.43 0.00 0.00 52.55 54.20 2k4a s ASP 91 Cb -0.11 -2.12 0.41 0.00 -0.30 0.00 0.00 42.92 40.79 2k4a s ASP 91 CO 0.05 -0.75 0.86 0.33 -0.17 0.00 0.00 175.17 175.49 2k4a n PHE 92 N -2.41 0.60 -0.51 -5.34 7.35 0.04 -4.51 117.46 112.68 2k4a n PHE 92 Ca 0.02 -3.24 0.42 0.00 -0.76 0.00 0.00 57.45 53.89 2k4a n PHE 92 Cb 0.56 -0.34 0.71 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 2.99 0.16 -1.46 -2.13 2.03 -1.88 -3.42 116.42 112.71 2k4a h ASP 93 Ca -0.01 0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.34 2k4a h ASP 93 Cb 1.08 0.09 0.02 0.00 -0.83 0.00 0.00 39.33 39.69 2k4a h ASP 93 CO 0.49 -0.14 -0.08 0.54 -1.03 0.00 0.00 179.24 179.01 2k4a n ARG 94 N -4.48 -0.91 0.23 4.15 1.74 -1.26 -4.88 116.66 111.26 2k4a n ARG 94 Ca 0.39 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2k4a n ARG 94 Cb 1.60 -3.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4a n PHE 95 N -2.96 -4.73 -3.33 -1.55 -0.00 -1.26 -5.16 117.46 98.47 2k4a n PHE 95 Ca -0.00 1.61 -0.14 0.00 -0.00 0.00 0.00 57.45 58.91 2k4a n PHE 95 Cb 0.51 4.01 0.03 0.00 -0.00 0.00 0.00 39.48 44.03 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2k4a n SER 96 N -3.46 1.69 -4.56 -2.13 3.41 -1.26 -4.99 113.62 102.32 2k4a n SER 96 Ca 0.00 -2.09 -0.25 0.00 -0.26 0.00 0.00 58.87 56.26 2k4a n SER 96 Cb 0.00 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.60 2.14 0.45 4.33 -0.14 -1.26 -4.84 119.74 116.82 2k4a s LYS 97 Ca 0.31 0.42 -0.24 0.00 -1.36 0.00 0.00 55.97 55.11 2k4a s LYS 97 Cb -0.02 -4.78 -0.09 0.00 -1.68 0.00 0.00 37.83 31.26 2k4a s LYS 97 CO 0.20 -3.65 1.11 0.72 -0.76 0.00 0.00 175.35 172.96 2k4a n HIS 98 N 15.83 1.50 -4.36 3.18 8.25 -1.26 -5.00 115.22 133.36 2k4a n HIS 98 Ca 0.39 0.51 -0.24 0.00 -0.26 0.00 0.00 57.72 58.13 2k4a n HIS 98 Cb 0.48 -2.27 -0.08 0.00 1.12 0.00 0.00 29.99 29.23 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 -0.75 4.16 -1.00 0.41 2.15 -1.26 -4.90 116.67 115.48 2k4a s ASP 99 Ca 0.65 -0.84 -0.21 0.00 0.43 0.00 0.00 52.55 52.58 2k4a s ASP 99 Cb -0.51 -0.60 0.09 0.00 -0.30 0.00 0.00 42.92 41.59 2k4a s ASP 99 CO 0.55 -0.04 1.33 -0.63 -0.17 0.00 0.00 175.17 176.22 2k4a s ILE 100 N -2.43 4.29 0.43 4.11 1.01 -1.26 -1.60 121.20 125.76 2k4a s ILE 100 Ca 0.32 -1.20 0.27 0.00 0.00 0.00 0.00 60.65 60.04 2k4a s ILE 100 Cb -0.05 -4.95 0.46 0.00 0.01 0.00 0.00 42.46 37.94 2k4a s ILE 100 CO 0.18 -1.76 1.65 0.16 0.00 0.00 0.00 174.94 175.17 2k4a h ILE 101 N 6.28 0.20 -1.33 2.92 -2.65 -1.78 -2.80 117.51 118.35 2k4a h ILE 101 Ca 0.20 -0.05 0.36 0.00 1.03 0.00 0.00 64.86 66.40 2k4a h ILE 101 Cb 1.00 0.04 -0.12 0.00 -2.05 0.00 0.00 36.82 35.69 2k4a h ILE 101 CO 1.30 0.03 0.91 -0.83 0.03 0.00 0.00 178.15 179.58 2k4a s GLY 102 N -4.13 -0.43 -0.04 0.16 0.00 -1.17 -3.12 107.32 98.59 2k4a s GLY 102 Ca -0.08 0.74 -0.30 0.00 0.00 0.00 0.00 44.72 45.09 2k4a s GLY 102 CO 0.82 0.79 0.65 -1.83 0.00 0.00 0.00 173.10 173.53 2k4a s GLU 103 N -2.21 1.04 0.43 2.90 -1.05 0.19 0.70 118.70 120.71 2k4a s GLU 103 Ca 0.16 0.21 0.03 0.00 -0.15 0.00 0.00 54.97 55.23 2k4a s GLU 103 Cb 0.06 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2k4a s GLU 103 CO -0.05 -0.32 0.04 -0.59 0.95 0.00 0.00 175.26 175.29 2k4a s PHE 104 N -1.24 2.02 -0.12 4.83 -0.71 -0.19 -3.75 117.98 118.82 2k4a s PHE 104 Ca -0.11 -0.96 -0.31 0.00 -1.04 0.00 0.00 56.93 54.51 2k4a s PHE 104 Cb -0.00 -1.50 0.12 0.00 -1.21 0.00 0.00 43.02 40.43 2k4a s PHE 104 CO 0.09 0.13 1.02 -1.59 -1.34 0.00 0.00 175.22 173.53 2k4a s LYS 105 N -3.80 0.59 -0.28 1.99 0.00 -1.26 -2.96 119.74 114.02 2k4a s LYS 105 Ca 0.21 -0.07 -0.21 0.00 0.00 0.00 0.00 55.97 55.91 2k4a s LYS 105 Cb 0.05 0.27 0.10 0.00 0.00 0.00 0.00 37.83 38.25 2k4a s LYS 105 CO 0.11 -0.23 0.83 0.54 0.00 0.00 0.00 175.35 176.61 2k4a s VAL 106 N -2.05 0.00 -0.31 1.79 0.11 0.21 -4.96 120.40 115.19 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 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2k4a s VAL 106 CO -0.04 0.00 1.30 -2.16 -3.33 0.00 0.00 175.10 170.87 2k4a s PRO 107 N 0.85 3.90 0.32 1.54 0.04 -1.26 -0.25 135.00 140.15 2k4a s PRO 107 Ca -0.03 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.30 2k4a s PRO 107 Cb -0.05 -3.88 0.76 0.00 0.04 0.00 0.00 34.50 31.37 2k4a s PRO 107 CO -0.09 -1.13 1.82 0.52 0.04 0.00 0.00 177.00 178.15 2k4a h MET 108 N 9.31 0.74 -0.90 4.56 2.86 -0.99 -0.24 114.93 130.27 2k4a h MET 108 Ca -0.26 -0.04 0.24 0.00 -2.06 0.00 0.00 59.70 57.58 2k4a h MET 108 Cb 1.10 -0.17 -0.16 0.00 0.06 0.00 0.00 31.60 32.43 2k4a h MET 108 CO 1.04 0.49 0.10 -0.97 1.06 0.00 0.00 176.91 178.62 2k4a h ASN 109 N 0.76 -0.29 0.09 1.22 -0.73 -1.45 0.08 115.58 115.26 2k4a h ASN 109 Ca 0.52 0.24 -0.20 0.00 1.87 0.00 0.00 56.30 58.73 2k4a h ASN 109 Cb 0.81 0.38 0.02 0.00 0.27 0.00 0.00 38.32 39.80 2k4a h ASN 109 CO -0.29 -0.26 -0.84 0.74 -0.37 0.00 0.00 177.43 176.40 2k4a h THR 110 N 0.09 1.42 -0.49 -3.57 2.02 -1.39 -3.41 112.91 107.59 2k4a h THR 110 Ca 0.55 -2.35 -0.27 0.00 0.77 0.00 0.00 66.41 65.11 2k4a h THR 110 Cb 1.11 2.86 -0.04 0.00 -1.74 0.00 0.00 68.15 70.34 2k4a h THR 110 CO -0.78 0.68 0.81 -0.69 0.37 0.00 0.00 175.52 175.91 2k4a s VAL 111 N -2.85 3.43 0.31 3.16 1.01 0.02 -4.92 120.40 120.56 2k4a s VAL 111 Ca -0.12 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2k4a s VAL 111 Cb 0.03 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 2k4a s VAL 111 CO 0.85 -0.82 1.40 -0.90 0.00 0.00 0.00 175.10 175.64 2k4a n ASP 112 N 15.13 3.10 -3.61 3.32 5.75 -1.26 -4.85 116.55 134.13 2k4a n ASP 112 Ca 0.43 1.18 -0.40 0.00 -0.01 0.00 0.00 54.79 56.00 2k4a n ASP 112 Cb 0.46 -1.51 0.01 0.00 -1.03 0.00 0.00 41.12 39.06 2k4a n ASP 112 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2k4a n PHE 113 N 1.08 2.85 0.15 2.11 -1.74 -1.26 -4.80 117.46 115.85 2k4a n PHE 113 Ca 0.07 -2.71 -0.14 0.00 -0.56 0.00 0.00 57.45 54.11 2k4a n PHE 113 Cb 0.35 -1.13 -0.08 0.00 1.52 0.00 0.00 39.48 40.14 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 4.21 -0.39 0.00 4.97 0.00 -2.00 -3.46 103.07 106.40 2k4a h GLY 114 Ca 0.47 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2k4a h GLY 114 CO 1.16 -0.14 0.00 1.42 0.00 0.00 0.00 176.54 178.98 2k4a n HIS 115 N -5.15 -2.23 -3.66 5.60 8.25 -1.26 -5.11 115.22 111.66 2k4a n HIS 115 Ca -0.10 0.48 -0.15 0.00 -0.26 0.00 0.00 57.72 57.69 2k4a n HIS 115 Cb 0.23 1.03 -0.08 0.00 1.12 0.00 0.00 29.99 32.30 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 -1.68 0.02 -0.49 1.59 -7.23 -1.26 -4.22 120.40 107.14 2k4a s VAL 116 Ca 0.00 -0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 2k4a s VAL 116 Cb 0.00 -0.79 0.13 0.00 0.56 0.00 0.00 36.38 36.28 2k4a s VAL 116 CO 0.00 -0.08 0.30 -0.89 -0.31 0.00 0.00 175.10 174.12 2k4a s THR 117 N -0.72 3.56 -0.37 5.32 2.01 0.45 -4.94 115.64 120.95 2k4a s THR 117 Ca -0.08 -2.29 -0.07 0.00 0.31 0.00 0.00 61.69 59.56 2k4a s THR 117 Cb -0.03 -3.39 0.05 0.00 0.01 0.00 0.00 72.50 69.14 2k4a s THR 117 CO 0.05 -0.76 0.16 -1.61 -0.69 0.00 0.00 174.62 171.76 2k4a s GLU 118 N 0.80 2.58 0.30 4.92 2.02 -1.26 0.11 118.70 128.17 2k4a s GLU 118 Ca 0.11 -1.29 -0.15 0.00 0.02 0.00 0.00 54.97 53.66 2k4a s GLU 118 Cb -0.22 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.46 2k4a s GLU 118 CO -0.04 -0.77 0.62 -1.83 0.02 0.00 0.00 175.26 173.26 2k4a s GLU 119 N 1.40 1.80 -0.25 1.61 -1.05 -1.08 -5.03 118.70 116.11 2k4a s GLU 119 Ca 0.00 -1.26 -0.13 0.00 -0.15 0.00 0.00 54.97 53.44 2k4a s GLU 119 Cb -0.21 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2k4a s GLU 119 CO 0.02 -0.80 0.26 -1.58 0.95 0.00 0.00 175.26 174.12 2k4a s TRP 120 N -3.55 3.28 -0.12 4.83 0.23 -1.26 -3.01 118.94 119.34 2k4a s TRP 120 Ca 0.18 0.31 -0.12 0.00 -2.03 0.00 0.00 56.10 54.44 2k4a s TRP 120 Cb -0.03 -2.42 -0.05 0.00 0.03 0.00 0.00 33.47 31.00 2k4a s TRP 120 CO 0.10 -0.09 0.27 0.50 0.96 0.00 0.00 176.95 178.69 2k4a s ARG 121 N 1.56 3.98 -0.03 4.98 6.06 0.47 -4.93 118.95 131.03 2k4a s ARG 121 Ca 0.11 0.08 -0.30 0.00 -2.50 0.00 0.00 55.73 53.12 2k4a s ARG 121 Cb -0.15 -3.33 -0.04 0.00 0.06 0.00 0.00 34.95 31.49 2k4a s ARG 121 CO 0.08 0.47 1.26 0.16 -2.50 0.00 0.00 175.30 174.77 2k4a s ASP 122 N -0.23 6.99 -0.20 -2.12 -4.77 -1.26 0.81 116.67 115.90 2k4a s ASP 122 Ca 0.17 1.91 -0.08 0.00 -3.30 0.00 0.00 52.55 51.25 2k4a s ASP 122 Cb -0.13 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 2k4a s ASP 122 CO 0.05 -0.62 0.09 -0.76 0.70 0.00 0.00 175.17 174.64 2k4a s LEU 123 N 2.21 3.90 0.11 2.11 1.43 -1.15 -4.73 118.68 122.55 2k4a s LEU 123 Ca 0.58 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 2k4a s LEU 123 Cb -0.27 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 2k4a s LEU 123 CO 0.24 0.14 -0.16 0.00 0.23 0.00 0.00 176.35 176.79 2k4a s GLN 124 N 0.58 1.02 0.58 1.70 -2.07 -1.25 0.55 119.66 120.78 2k4a s GLN 124 Ca 0.05 -1.16 -0.20 0.00 -1.82 0.00 0.00 55.36 52.23 2k4a s GLN 124 Cb -0.13 -1.05 -0.03 0.00 -1.09 0.00 0.00 33.01 30.71 2k4a s GLN 124 CO 0.01 0.22 1.33 -1.12 -1.32 0.00 0.00 175.29 174.41 2k4a s SER 125 N -2.14 5.02 -0.63 12.60 0.01 -1.15 0.55 113.70 127.97 2k4a s SER 125 Ca 0.06 2.70 -0.03 0.00 1.31 0.00 0.00 55.95 59.99 2k4a s SER 125 Cb -0.08 -2.63 0.16 0.00 0.21 0.00 0.00 66.02 63.69 2k4a s SER 125 CO 0.03 -1.73 0.44 0.00 0.41 0.00 0.00 173.24 172.39 2k4a s ALA 126 N -1.35 3.58 -1.39 1.44 0.00 -1.06 -4.47 121.76 118.52 2k4a s ALA 126 Ca 0.76 -3.27 -0.14 0.00 0.00 0.00 0.00 51.96 49.31 2k4a s ALA 126 Cb -0.39 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2k4a s ALA 126 CO 0.44 -2.10 2.26 0.39 0.00 0.00 0.00 175.76 176.74 2k4a n GLU 127 N 3.47 2.76 0.00 0.00 1.02 -1.26 -4.36 120.64 122.27 2k4a n GLU 127 Ca 0.08 -2.47 0.09 0.00 -0.02 0.00 0.00 57.16 54.85 2k4a n GLU 127 Cb 0.38 -3.20 0.08 0.00 -0.02 0.00 0.00 31.44 28.68 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94