#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 1.07 0.17 3.49 -0.00 -1.26 -4.76 118.16 116.87 2k4a n LYS 2 Ca 0.00 -1.31 0.05 0.00 -0.00 0.00 0.00 58.31 57.06 2k4a n LYS 2 Cb 0.00 0.16 0.08 0.00 -0.00 0.00 0.00 35.03 35.27 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 1.34 0.00 0.00 -5.58 5.85 -1.51 -3.46 115.31 111.95 2k4a h LEU 3 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2k4a h LEU 3 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2k4a h LEU 3 CO -0.13 0.35 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 2k4a n GLY 4 N 1.14 0.05 2.93 3.75 0.00 -1.09 -3.50 105.19 108.47 2k4a n GLY 4 Ca 0.02 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.06 0.16 -0.09 1.61 1.02 -1.14 0.84 119.74 122.08 2k4a s LYS 5 Ca 0.00 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2k4a s LYS 5 Cb 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2k4a s LYS 5 CO 0.00 -0.03 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.03 2k4a s LEU 6 N -0.68 1.95 -0.07 3.17 0.20 0.43 -1.28 118.68 122.40 2k4a s LEU 6 Ca -0.07 -0.48 -0.14 0.00 0.69 0.00 0.00 54.13 54.12 2k4a s LEU 6 Cb -0.05 -1.23 -0.05 0.00 -0.43 0.00 0.00 46.19 44.43 2k4a s LEU 6 CO -0.00 0.11 0.37 -1.10 -0.29 0.00 0.00 176.35 175.44 2k4a s GLN 7 N 0.48 4.03 -0.13 1.98 -1.52 0.66 0.11 119.66 125.27 2k4a s GLN 7 Ca -0.17 0.30 -0.23 0.00 -1.95 0.00 0.00 55.36 53.31 2k4a s GLN 7 Cb -0.17 -3.30 0.06 0.00 -0.22 0.00 0.00 33.01 29.37 2k4a s GLN 7 CO 0.07 0.50 0.57 1.52 -0.25 0.00 0.00 175.29 177.70 2k4a s TYR 8 N -0.42 -0.57 -0.40 0.91 1.13 -0.75 0.17 117.35 117.42 2k4a s TYR 8 Ca 0.22 1.20 0.02 0.00 -1.41 0.00 0.00 57.07 57.10 2k4a s TYR 8 Cb -0.15 0.26 0.12 0.00 -1.10 0.00 0.00 41.96 41.09 2k4a s TYR 8 CO 0.10 -0.42 0.17 -1.54 -2.51 0.00 0.00 175.55 171.35 2k4a s SER 9 N -0.46 4.10 -0.05 -0.18 1.04 0.19 -1.37 113.70 116.97 2k4a s SER 9 Ca -0.06 -2.37 -0.04 0.00 0.48 0.00 0.00 55.95 53.96 2k4a s SER 9 Cb -0.03 -1.24 -0.04 0.00 0.10 0.00 0.00 66.02 64.82 2k4a s SER 9 CO 0.04 -0.32 0.16 -0.76 0.98 0.00 0.00 173.24 173.34 2k4a s LEU 10 N 0.64 4.34 0.00 2.42 1.43 0.14 -2.56 118.68 125.09 2k4a s LEU 10 Ca 0.14 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2k4a s LEU 10 Cb -0.22 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 2k4a s LEU 10 CO -0.07 0.32 0.09 -0.90 0.23 0.00 0.00 176.35 176.02 2k4a n ASP 11 N 1.39 0.92 -4.11 2.29 5.75 0.14 0.27 116.55 123.21 2k4a n ASP 11 Ca -0.15 -2.17 -0.18 0.00 -0.01 0.00 0.00 54.79 52.29 2k4a n ASP 11 Cb 0.54 0.60 -0.13 0.00 -1.03 0.00 0.00 41.12 41.09 2k4a n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2k4a s TYR 12 N -2.41 1.02 -0.19 2.11 1.13 -1.26 0.19 117.35 117.94 2k4a s TYR 12 Ca 0.12 -0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.40 2k4a s TYR 12 Cb 0.01 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 2k4a s TYR 12 CO 0.09 0.01 -0.11 0.34 -2.51 0.00 0.00 175.55 173.36 2k4a s ASP 13 N -1.22 3.84 0.00 -0.18 -1.08 0.86 -4.84 116.67 114.05 2k4a s ASP 13 Ca -0.02 -0.47 0.24 0.00 -0.52 0.00 0.00 52.55 51.78 2k4a s ASP 13 Cb -0.08 -1.63 0.26 0.00 -1.46 0.00 0.00 42.92 40.01 2k4a s ASP 13 CO 0.01 0.02 1.27 2.22 0.52 0.00 0.00 175.17 179.21 2k4a n PHE 14 N 4.51 0.00 0.04 -5.34 1.16 -1.26 -1.59 117.46 114.99 2k4a n PHE 14 Ca -0.19 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.17 2k4a n PHE 14 Cb 0.51 -0.02 -0.14 0.00 -1.61 0.00 0.00 39.48 38.22 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 3.02 0.32 0.00 3.97 3.07 -1.95 -3.37 115.11 120.18 2k4a h GLN 15 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 58.65 58.20 2k4a h GLN 15 Cb 0.78 0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.54 2k4a h GLN 15 CO 0.00 1.24 -1.82 0.27 0.09 0.00 0.00 178.83 178.61 2k4a n ASN 16 N -3.52 0.17 -1.95 0.06 0.23 -1.26 -5.04 115.26 103.95 2k4a n ASN 16 Ca -0.27 -0.10 -0.00 0.00 -0.53 0.00 0.00 54.58 53.68 2k4a n ASN 16 Cb 1.06 1.79 0.00 0.00 -2.08 0.00 0.00 39.78 40.55 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 -2.19 -3.71 -3.57 0.53 2.85 -0.99 -4.95 115.26 103.23 2k4a n ASN 17 Ca -0.03 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.37 2k4a n ASN 17 Cb 0.54 -2.27 -0.03 0.00 1.24 0.00 0.00 39.78 39.26 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 -2.80 0.53 0.22 1.20 1.03 -0.62 -3.20 119.66 116.03 2k4a s GLN 18 Ca 0.01 -0.08 -0.16 0.00 0.04 0.00 0.00 55.36 55.16 2k4a s GLN 18 Cb -0.00 0.25 -0.08 0.00 0.03 0.00 0.00 33.01 33.20 2k4a s GLN 18 CO 0.22 -0.21 0.66 -0.51 -2.54 0.00 0.00 175.29 172.92 2k4a s LEU 19 N -1.84 4.27 -0.81 2.60 1.43 -0.72 -0.10 118.68 123.52 2k4a s LEU 19 Ca 0.05 1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 2k4a s LEU 19 Cb -0.01 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.82 2k4a s LEU 19 CO -0.04 -0.00 0.72 -0.22 0.23 0.00 0.00 176.35 177.04 2k4a s LEU 20 N -2.23 6.20 -0.61 1.79 1.98 0.51 -1.71 118.68 124.61 2k4a s LEU 20 Ca 0.44 -2.94 -0.28 0.00 -2.89 0.00 0.00 54.13 48.46 2k4a s LEU 20 Cb -0.15 -2.09 0.03 0.00 0.66 0.00 0.00 46.19 44.64 2k4a s LEU 20 CO 0.20 -0.45 1.26 -0.69 -1.89 0.00 0.00 176.35 174.78 2k4a s VAL 21 N -0.21 3.91 -0.67 1.68 1.01 -0.92 0.26 120.40 125.46 2k4a s VAL 21 Ca 0.20 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2k4a s VAL 21 Cb -0.13 -4.71 0.17 0.00 0.00 0.00 0.00 36.38 31.71 2k4a s VAL 21 CO -0.08 -1.42 0.47 -0.83 0.00 0.00 0.00 175.10 173.25 2k4a s GLY 22 N 3.43 2.71 0.69 4.51 0.00 -1.06 0.21 107.32 117.80 2k4a s GLY 22 Ca 0.43 -3.53 -0.11 0.00 0.00 0.00 0.00 44.72 41.51 2k4a s GLY 22 CO 0.23 1.09 1.06 -0.26 0.00 0.00 0.00 173.10 175.22 2k4a s ILE 23 N -0.73 4.03 -0.15 0.90 -0.00 -1.25 0.54 121.20 124.54 2k4a s ILE 23 Ca 0.21 0.66 -0.14 0.00 -0.00 0.00 0.00 60.65 61.38 2k4a s ILE 23 Cb -0.15 -3.54 -0.05 0.00 -0.00 0.00 0.00 42.46 38.72 2k4a s ILE 23 CO -0.07 -0.86 -0.27 -0.38 -0.00 0.00 0.00 174.94 173.35 2k4a n ILE 24 N -3.01 1.26 -3.79 8.37 5.41 0.46 -3.86 119.36 124.20 2k4a n ILE 24 Ca 0.07 0.21 0.02 0.00 1.00 0.00 0.00 62.75 64.04 2k4a n ILE 24 Cb 0.55 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 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 -2.52 0.42 0.15 0.38 -2.07 -1.07 -2.18 119.66 112.77 2k4a s GLN 25 Ca -0.23 -0.25 0.10 0.00 -1.82 0.00 0.00 55.36 53.16 2k4a s GLN 25 Cb 0.03 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 2k4a s GLN 25 CO 0.33 -0.19 -0.23 0.00 -1.32 0.00 0.00 175.29 173.88 2k4a s ALA 26 N -2.22 2.20 0.05 2.60 0.00 -1.25 -0.25 121.76 122.89 2k4a s ALA 26 Ca 0.21 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.73 2k4a s ALA 26 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 2k4a s ALA 26 CO -0.02 0.40 -0.08 0.00 0.00 0.00 0.00 175.76 176.06 2k4a s ALA 27 N -1.47 0.67 -0.77 0.00 0.00 -0.41 -3.82 121.76 115.96 2k4a s ALA 27 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2k4a s ALA 27 Cb -0.08 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2k4a s ALA 27 CO 0.07 -0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.18 2k4a n GLU 28 N 1.23 -0.64 -2.01 0.00 1.02 -0.91 -2.89 120.64 116.45 2k4a n GLU 28 Ca -0.21 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.05 2k4a n GLU 28 Cb 0.55 -4.46 -0.01 0.00 -0.02 0.00 0.00 31.44 27.50 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 -2.26 4.39 0.88 -4.62 1.43 -0.72 -4.45 118.68 113.33 2k4a s LEU 29 Ca 0.00 2.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.80 2k4a s LEU 29 Cb 0.00 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.66 2k4a s LEU 29 CO 0.00 -0.66 1.02 -2.65 0.23 0.00 0.00 176.35 174.29 2k4a n PRO 30 N 0.67 -0.21 -3.38 1.29 -0.02 -1.26 -4.76 135.00 127.33 2k4a n PRO 30 Ca 0.00 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 2k4a n PRO 30 Cb 0.41 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.41 3.46 -0.18 3.55 0.00 -1.26 -4.51 121.76 120.41 2k4a s ALA 31 Ca 0.67 -1.47 0.18 0.00 0.00 0.00 0.00 51.96 51.34 2k4a s ALA 31 Cb -0.25 -2.95 -0.25 0.00 0.00 0.00 0.00 23.12 19.67 2k4a s ALA 31 CO 0.57 -1.40 0.11 1.28 0.00 0.00 0.00 175.76 176.32 2k4a n LEU 32 N 5.44 0.00 -4.81 0.00 7.99 -0.61 -4.79 117.00 120.21 2k4a n LEU 32 Ca -0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.58 2k4a n LEU 32 Cb 0.48 0.43 -0.06 0.00 -0.11 0.00 0.00 43.42 44.16 2k4a n LEU 32 CO 0.43 0.43 0.67 -0.62 -1.51 0.00 0.00 177.39 176.79 2k4a s ASP 33 N -5.30 6.85 -0.81 -1.43 -1.08 0.36 -4.90 116.67 110.35 2k4a s ASP 33 Ca -0.09 1.76 -0.06 0.00 -0.52 0.00 0.00 52.55 53.64 2k4a s ASP 33 Cb 0.07 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.92 2k4a s ASP 33 CO 0.81 -0.42 1.98 0.80 0.52 0.00 0.00 175.17 178.86 2k4a n MET 34 N -0.57 1.83 0.00 4.34 0.00 -1.26 -3.35 117.12 118.11 2k4a n MET 34 Ca 0.07 -1.38 0.00 0.00 -0.00 0.00 0.00 57.70 56.39 2k4a n MET 34 Cb 0.53 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 31.32 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 3.84 0.00 3.24 -5.12 0.00 -1.26 -4.98 105.19 100.91 2k4a n GLY 35 Ca 0.40 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 3.59 -0.02 0.00 -1.21 -4.89 105.19 102.17 2k4a n GLY 36 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.79 0.00 0.31 2.61 -4.23 -1.25 -4.84 115.64 105.45 2k4a s THR 37 Ca 0.34 -1.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.28 2k4a s THR 37 Cb -0.18 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.92 2k4a s THR 37 CO 0.41 0.00 0.65 -0.44 -0.54 0.00 0.00 174.62 174.70 2k4a s SER 38 N -3.20 0.01 -0.69 3.99 0.01 -1.26 0.14 113.70 112.69 2k4a s SER 38 Ca 0.26 -0.95 0.04 0.00 1.31 0.00 0.00 55.95 56.60 2k4a s SER 38 Cb -0.02 0.72 0.33 0.00 0.21 0.00 0.00 66.02 67.26 2k4a s SER 38 CO 0.18 -1.39 1.12 0.47 0.41 0.00 0.00 173.24 174.03 2k4a n ASP 39 N -0.84 5.06 -4.71 2.44 9.92 -1.26 0.11 116.55 127.27 2k4a n ASP 39 Ca -0.04 -3.66 -0.42 0.00 -0.53 0.00 0.00 54.79 50.14 2k4a n ASP 39 Cb 0.60 -0.71 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 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 4.38 0.02 -0.24 0.04 -1.16 0.17 135.00 134.65 2k4a s PRO 40 Ca 0.46 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.40 2k4a s PRO 40 Cb 0.25 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2k4a s PRO 40 CO -0.12 -0.36 -0.14 1.52 0.04 0.00 0.00 177.00 177.94 2k4a s TYR 41 N 1.37 1.20 -0.17 0.56 -0.85 0.48 -3.84 117.35 116.10 2k4a s TYR 41 Ca 0.61 -0.30 -0.19 0.00 -0.52 0.00 0.00 57.07 56.67 2k4a s TYR 41 Cb -0.31 -0.73 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 2k4a s TYR 41 CO 0.28 0.01 0.53 0.14 -1.52 0.00 0.00 175.55 175.00 2k4a s VAL 42 N -0.62 5.11 -0.41 -3.49 -7.23 -1.26 0.16 120.40 112.66 2k4a s VAL 42 Ca 0.03 1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 61.11 2k4a s VAL 42 Cb -0.07 -3.86 0.07 0.00 0.56 0.00 0.00 36.38 33.08 2k4a s VAL 42 CO 0.00 0.21 0.25 -1.59 -0.31 0.00 0.00 175.10 173.66 2k4a s LYS 43 N 1.39 2.66 -0.21 4.82 -2.85 0.50 -2.86 119.74 123.19 2k4a s LYS 43 Ca 0.26 -1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 53.56 2k4a s LYS 43 Cb -0.15 -3.77 -0.02 0.00 -2.06 0.00 0.00 37.83 31.82 2k4a s LYS 43 CO 0.10 -0.90 1.42 0.14 0.10 0.00 0.00 175.35 176.21 2k4a s VAL 44 N 1.45 3.99 0.26 1.79 -7.23 -1.15 -2.15 120.40 117.37 2k4a s VAL 44 Ca 0.03 1.15 0.10 0.00 -1.81 0.00 0.00 61.98 61.45 2k4a s VAL 44 Cb -0.22 -3.91 -0.05 0.00 0.56 0.00 0.00 36.38 32.76 2k4a s VAL 44 CO 0.03 -0.29 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.01 2k4a s PHE 45 N 4.34 2.08 0.16 2.82 0.40 0.13 -4.07 117.98 123.84 2k4a s PHE 45 Ca 0.62 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.53 2k4a s PHE 45 Cb -0.22 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2k4a s PHE 45 CO 0.23 0.55 -0.06 -0.51 0.70 0.00 0.00 175.22 176.13 2k4a s LEU 46 N -3.45 2.40 0.00 -0.37 2.01 -1.26 0.52 118.68 118.53 2k4a s LEU 46 Ca 0.28 -1.07 -0.04 0.00 0.01 0.00 0.00 54.13 53.30 2k4a s LEU 46 Cb -0.02 -0.24 0.07 0.00 0.01 0.00 0.00 46.19 46.01 2k4a s LEU 46 CO 0.12 -0.42 0.16 0.00 1.01 0.00 0.00 176.35 177.22 2k4a n LEU 47 N -0.21 0.00 -0.12 1.79 -0.00 0.58 -4.26 117.00 114.78 2k4a n LEU 47 Ca -0.09 -0.17 0.10 0.00 -0.00 0.00 0.00 56.01 55.85 2k4a n LEU 47 Cb 0.62 -0.18 0.19 0.00 -0.00 0.00 0.00 43.42 44.04 2k4a n LEU 47 CO 0.33 -1.63 0.36 -2.65 -0.00 0.00 0.00 177.39 173.80 2k4a n PRO 48 N -2.57 -0.02 -0.36 1.47 -0.02 -1.26 0.42 135.00 132.66 2k4a n PRO 48 Ca 0.03 0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2k4a n PRO 48 Cb 0.11 -0.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.72 2k4a n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k4a h ASP 49 N 0.00 -1.38 -4.08 2.55 3.58 -1.94 -3.44 116.42 111.71 2k4a h ASP 49 Ca 0.29 0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.92 2k4a h ASP 49 Cb 0.72 0.73 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 2k4a h ASP 49 CO -0.31 -0.29 -0.14 0.29 -2.88 0.00 0.00 179.24 175.91 2k4a n LYS 50 N -5.48 -2.43 -1.45 0.28 4.76 0.17 -4.81 118.16 109.20 2k4a n LYS 50 Ca 0.10 0.29 -0.27 0.00 -2.87 0.00 0.00 58.31 55.57 2k4a n LYS 50 Cb 0.40 -4.78 -0.07 0.00 -1.84 0.00 0.00 35.03 28.74 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 -2.48 2.78 0.00 1.97 5.02 -1.26 -4.80 118.16 119.40 2k4a n LYS 51 Ca -0.07 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 2k4a n LYS 51 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 1.59 0.00 -2.98 1.97 2.85 -1.26 -4.26 118.16 116.06 2k4a n LYS 52 Ca 0.52 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.69 2k4a n LYS 52 Cb 0.56 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.92 2k4a n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4a s LYS 53 N -1.07 0.98 -0.11 -1.58 2.20 -1.26 -4.67 119.74 114.22 2k4a s LYS 53 Ca 0.00 -1.18 -0.04 0.00 -0.36 0.00 0.00 55.97 54.39 2k4a s LYS 53 Cb 0.00 -0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 2k4a s LYS 53 CO 0.00 -1.32 0.04 0.12 -0.36 0.00 0.00 175.35 173.83 2k4a s PHE 54 N 0.85 3.25 -0.21 4.03 5.36 -1.26 -5.06 117.98 124.94 2k4a s PHE 54 Ca 0.28 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 2k4a s PHE 54 Cb -0.01 -1.88 0.03 0.00 -0.34 0.00 0.00 43.02 40.82 2k4a s PHE 54 CO -0.08 0.43 -0.15 -2.00 -1.46 0.00 0.00 175.22 171.96 2k4a s GLU 55 N -0.60 2.76 0.92 10.12 2.12 -1.26 -2.92 118.70 129.84 2k4a s GLU 55 Ca 0.10 -1.00 -0.11 0.00 0.36 0.00 0.00 54.97 54.32 2k4a s GLU 55 Cb -0.12 -2.73 0.14 0.00 0.26 0.00 0.00 34.13 31.68 2k4a s GLU 55 CO 0.02 -0.34 1.09 0.95 -0.54 0.00 0.00 175.26 176.44 2k4a s THR 56 N 1.24 2.55 0.43 -1.70 -4.23 -1.13 -4.97 115.64 107.82 2k4a s THR 56 Ca 0.00 0.18 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 2k4a s THR 56 Cb -0.16 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.09 2k4a s THR 56 CO -0.09 -0.23 1.21 -0.75 -0.54 0.00 0.00 174.62 174.22 2k4a s LYS 57 N -4.81 3.89 0.08 3.99 2.20 -1.26 -4.81 119.74 119.02 2k4a s LYS 57 Ca 0.64 1.93 -0.31 0.00 -0.36 0.00 0.00 55.97 57.87 2k4a s LYS 57 Cb -0.20 -2.60 -0.08 0.00 -1.51 0.00 0.00 37.83 33.44 2k4a s LYS 57 CO 0.58 -0.48 1.62 0.54 -0.36 0.00 0.00 175.35 177.25 2k4a s VAL 58 N -1.40 3.03 -0.78 4.02 0.11 -1.26 -4.76 120.40 119.35 2k4a s VAL 58 Ca 0.60 0.53 -0.06 0.00 -2.93 0.00 0.00 61.98 60.12 2k4a s VAL 58 Cb -0.33 -3.34 0.20 0.00 -1.53 0.00 0.00 36.38 31.38 2k4a s VAL 58 CO 0.41 0.01 0.66 -1.00 -3.33 0.00 0.00 175.10 171.84 2k4a s HIS 59 N 2.38 3.68 0.42 1.54 0.09 -1.25 -5.06 115.29 117.08 2k4a s HIS 59 Ca 0.73 -2.64 -0.25 0.00 -0.00 0.00 0.00 55.06 52.90 2k4a s HIS 59 Cb -0.40 -3.40 -0.08 0.00 -0.00 0.00 0.00 32.58 28.70 2k4a s HIS 59 CO 0.32 -0.85 1.23 -0.98 -0.00 0.00 0.00 174.74 174.45 2k4a s ARG 60 N -0.45 3.94 -0.80 1.40 1.04 -1.26 -2.98 118.95 119.84 2k4a s ARG 60 Ca 0.21 1.96 -0.02 0.00 -1.04 0.00 0.00 55.73 56.84 2k4a s ARG 60 Cb -0.14 -2.66 0.00 0.00 -2.04 0.00 0.00 34.95 30.12 2k4a s ARG 60 CO -0.07 -0.45 0.61 1.63 -0.04 0.00 0.00 175.30 176.98 2k4a n LYS 61 N -0.02 -1.56 -3.63 3.89 4.76 -0.16 -4.87 118.16 116.56 2k4a n LYS 61 Ca 0.05 0.82 -0.11 0.00 -2.87 0.00 0.00 58.31 56.20 2k4a n LYS 61 Cb 0.45 -2.38 -0.07 0.00 -1.84 0.00 0.00 35.03 31.19 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 -2.90 0.00 -0.41 -0.18 -1.32 0.30 -4.81 115.64 106.31 2k4a s THR 62 Ca 0.02 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.54 2k4a s THR 62 Cb -0.00 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 2k4a s THR 62 CO 0.89 0.00 0.81 0.18 -2.21 0.00 0.00 174.62 174.29 2k4a n LEU 63 N 2.48 1.73 -2.85 9.08 4.77 -1.26 -4.09 117.00 126.85 2k4a n LEU 63 Ca -0.13 -1.41 -0.11 0.00 -0.03 0.00 0.00 56.01 54.33 2k4a n LEU 63 Cb 0.56 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 2k4a n LEU 63 CO 0.02 0.41 0.19 -3.20 -1.33 0.00 0.00 177.39 173.48 2k4a n ASN 64 N 0.06 -1.42 -4.84 -1.43 5.15 -1.26 -1.76 115.26 109.78 2k4a n ASN 64 Ca 0.03 -3.44 -0.38 0.00 -0.60 0.00 0.00 54.58 50.19 2k4a n ASN 64 Cb 0.18 1.17 -0.06 0.00 -0.53 0.00 0.00 39.78 40.54 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 -0.51 3.87 0.21 1.20 0.04 -1.25 -4.97 135.00 133.58 2k4a s PRO 65 Ca 0.27 0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.67 2k4a s PRO 65 Cb 0.32 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2k4a s PRO 65 CO -0.06 0.67 0.27 0.14 0.04 0.00 0.00 177.00 178.06 2k4a s VAL 66 N -0.96 4.97 0.00 -0.36 -7.23 -1.26 -3.85 120.40 111.70 2k4a s VAL 66 Ca 0.22 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2k4a s VAL 66 Cb -0.16 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2k4a s VAL 66 CO 0.11 -0.23 0.00 0.33 -0.31 0.00 0.00 175.10 175.00 2k4a n PHE 67 N -0.95 -0.22 -3.13 2.82 -0.00 -1.16 -5.05 117.46 109.77 2k4a n PHE 67 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.26 2k4a n PHE 67 Cb 0.56 0.04 0.05 0.00 -0.00 0.00 0.00 39.48 40.14 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k4a n ASN 68 N -1.22 -6.69 -4.77 -2.13 5.15 -0.92 -4.98 115.26 99.70 2k4a n ASN 68 Ca 0.00 -0.55 -0.39 0.00 -0.60 0.00 0.00 54.58 53.04 2k4a n ASN 68 Cb 0.00 -5.04 -0.06 0.00 -0.53 0.00 0.00 39.78 34.15 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 -4.05 4.30 -0.25 1.20 2.02 -1.25 -4.89 118.70 115.78 2k4a s GLU 69 Ca 0.35 0.72 -0.28 0.00 0.02 0.00 0.00 54.97 55.78 2k4a s GLU 69 Cb -0.05 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.86 2k4a s GLU 69 CO 0.71 0.40 0.98 -1.14 0.02 0.00 0.00 175.26 176.22 2k4a s GLN 70 N -0.28 4.21 -0.29 1.61 -0.44 -1.26 -3.94 119.66 119.27 2k4a s GLN 70 Ca 0.31 1.19 -0.15 0.00 -2.50 0.00 0.00 55.36 54.21 2k4a s GLN 70 Cb -0.18 -3.66 -0.03 0.00 -1.64 0.00 0.00 33.01 27.50 2k4a s GLN 70 CO 0.17 -0.63 0.36 0.12 0.50 0.00 0.00 175.29 175.81 2k4a s PHE 71 N 3.15 3.23 -0.90 1.67 5.36 0.13 -4.99 117.98 125.63 2k4a s PHE 71 Ca 0.41 0.28 -0.25 0.00 -0.96 0.00 0.00 56.93 56.41 2k4a s PHE 71 Cb -0.15 -2.60 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2k4a s PHE 71 CO 0.08 -0.29 1.41 0.99 -1.46 0.00 0.00 175.22 175.95 2k4a s THR 72 N 2.05 3.81 -1.32 0.12 2.01 -1.26 -2.16 115.64 118.90 2k4a s THR 72 Ca 0.14 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 2k4a s THR 72 Cb -0.16 -4.95 -0.04 0.00 0.01 0.00 0.00 72.50 67.37 2k4a s THR 72 CO 0.11 -1.85 2.35 0.33 -0.69 0.00 0.00 174.62 174.86 2k4a n PHE 73 N 9.33 2.71 -1.58 4.92 -0.00 -0.69 -4.86 117.46 127.29 2k4a n PHE 73 Ca 0.21 -2.69 -0.25 0.00 -0.00 0.00 0.00 57.45 54.73 2k4a n PHE 73 Cb 0.50 -2.29 -0.05 0.00 -0.00 0.00 0.00 39.48 37.64 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 3.29 1.86 -0.30 -4.13 -0.14 -1.26 -1.75 119.74 117.31 2k4a s LYS 74 Ca 0.54 0.92 -0.17 0.00 -1.36 0.00 0.00 55.97 55.90 2k4a s LYS 74 Cb 0.15 -4.69 0.20 0.00 -1.68 0.00 0.00 37.83 31.81 2k4a s LYS 74 CO -0.04 -3.86 1.25 0.54 -0.76 0.00 0.00 175.35 172.49 2k4a s VAL 75 N 13.43 0.00 0.25 3.17 0.11 -1.23 -4.65 120.40 131.49 2k4a s VAL 75 Ca 0.94 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.68 2k4a s VAL 75 Cb -0.15 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.58 2k4a s VAL 75 CO 0.17 0.00 1.49 -2.65 -3.33 0.00 0.00 175.10 170.78 2k4a n PRO 76 N 2.94 2.31 -0.36 1.54 -0.02 -1.19 -3.54 135.00 136.68 2k4a n PRO 76 Ca -0.16 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 2k4a n PRO 76 Cb 0.56 -2.54 0.29 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.59 1.09 -0.61 6.00 -0.00 -1.91 0.77 116.97 126.90 2k4a h TYR 77 Ca -0.46 0.03 -0.03 0.00 0.00 0.00 0.00 58.73 58.28 2k4a h TYR 77 Cb 1.25 -0.34 -0.03 0.00 0.00 0.00 0.00 36.73 37.62 2k4a h TYR 77 CO 0.58 0.32 0.27 0.66 -0.00 0.00 0.00 178.16 179.98 2k4a h SER 78 N 0.85 0.83 -0.30 0.10 4.64 -1.99 -2.83 113.55 114.85 2k4a h SER 78 Ca 0.55 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 2k4a h SER 78 Cb 0.75 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2k4a h SER 78 CO -0.34 0.75 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.22 2k4a h GLU 79 N 0.85 0.58 -1.09 4.77 4.81 -1.06 -3.13 114.58 120.32 2k4a h GLU 79 Ca 0.21 -0.22 0.43 0.00 -0.13 0.00 0.00 59.36 59.64 2k4a h GLU 79 Cb 0.17 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.35 2k4a h GLU 79 CO -0.02 0.78 0.62 -0.11 -0.73 0.00 0.00 179.01 179.55 2k4a n LEU 80 N -4.48 0.31 -0.33 1.64 0.00 0.24 -0.94 117.00 113.44 2k4a n LEU 80 Ca -0.03 1.56 0.16 0.00 0.00 0.00 0.00 56.01 57.71 2k4a n LEU 80 Cb 0.32 -0.76 0.32 0.00 0.00 0.00 0.00 43.42 43.30 2k4a n LEU 80 CO 0.40 -1.74 0.85 1.23 0.00 0.00 0.00 177.39 178.13 2k4a h GLY 81 N 0.00 1.38 -1.87 -3.96 0.00 -1.55 0.89 103.07 97.96 2k4a h GLY 81 Ca 0.85 0.10 0.00 0.00 0.00 0.00 0.00 47.33 48.28 2k4a h GLY 81 CO -0.68 -0.53 0.00 0.61 0.00 0.00 0.00 176.54 175.94 2k4a n GLY 82 N -1.45 1.45 3.87 4.60 0.00 -0.11 -2.78 105.19 110.76 2k4a n GLY 82 Ca 0.25 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -1.62 2.61 -0.12 1.61 3.01 0.31 -5.00 119.74 120.54 2k4a s LYS 83 Ca 0.30 -1.44 -0.04 0.00 -1.01 0.00 0.00 55.97 53.78 2k4a s LYS 83 Cb 0.18 -2.42 0.06 0.00 -1.01 0.00 0.00 37.83 34.64 2k4a s LYS 83 CO 0.16 -0.08 0.21 0.99 0.51 0.00 0.00 175.35 177.15 2k4a s THR 84 N -2.40 -0.34 0.18 2.17 2.01 -1.26 -2.34 115.64 113.66 2k4a s THR 84 Ca 0.45 0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 2k4a s THR 84 Cb -0.04 -0.42 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 2k4a s THR 84 CO 0.27 0.08 0.51 -1.48 -0.69 0.00 0.00 174.62 173.31 2k4a s LEU 85 N 2.35 4.23 -0.08 4.42 2.34 -1.23 -0.31 118.68 130.40 2k4a s LEU 85 Ca 0.03 0.89 -0.01 0.00 0.06 0.00 0.00 54.13 55.09 2k4a s LEU 85 Cb -0.13 -3.47 0.03 0.00 -0.56 0.00 0.00 46.19 42.06 2k4a s LEU 85 CO -0.08 0.01 0.00 0.68 -1.06 0.00 0.00 176.35 175.90 2k4a s VAL 86 N -1.68 0.41 -0.51 1.48 -7.23 0.19 -2.86 120.40 110.20 2k4a s VAL 86 Ca 0.43 0.05 -0.13 0.00 -1.81 0.00 0.00 61.98 60.52 2k4a s VAL 86 Cb -0.12 -0.59 0.12 0.00 0.56 0.00 0.00 36.38 36.35 2k4a s VAL 86 CO 0.21 0.23 0.43 -0.32 -0.31 0.00 0.00 175.10 175.33 2k4a s MET 87 N 1.95 2.78 -0.15 4.82 0.00 0.47 0.21 119.30 129.38 2k4a s MET 87 Ca 0.05 -1.70 -0.08 0.00 0.00 0.00 0.00 55.69 53.95 2k4a s MET 87 Cb -0.13 -4.13 -0.04 0.00 0.00 0.00 0.00 34.83 30.53 2k4a s MET 87 CO -0.06 -1.25 0.12 0.00 0.00 0.00 0.00 175.02 173.83 2k4a s ALA 88 N 1.50 3.73 -0.27 4.11 0.00 -0.91 0.72 121.76 130.64 2k4a s ALA 88 Ca 0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2k4a s ALA 88 Cb -0.28 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2k4a s ALA 88 CO 0.02 0.42 0.17 0.54 0.00 0.00 0.00 175.76 176.91 2k4a s VAL 89 N -0.43 5.23 -0.02 0.00 0.11 0.31 0.19 120.40 125.78 2k4a s VAL 89 Ca 0.11 0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 2k4a s VAL 89 Cb -0.12 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2k4a s VAL 89 CO 0.02 0.28 -0.01 -0.47 -3.33 0.00 0.00 175.10 171.59 2k4a s TYR 90 N 1.59 3.08 0.18 1.54 5.04 0.42 -2.64 117.35 126.55 2k4a s TYR 90 Ca 0.07 0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 54.76 2k4a s TYR 90 Cb -0.15 -1.70 -0.05 0.00 0.35 0.00 0.00 41.96 40.41 2k4a s TYR 90 CO 0.09 0.45 0.40 0.34 -1.34 0.00 0.00 175.55 175.48 2k4a s ASP 91 N -1.35 6.45 -0.49 4.32 2.15 -1.18 0.18 116.67 126.74 2k4a s ASP 91 Ca 0.17 0.53 0.05 0.00 0.43 0.00 0.00 52.55 53.73 2k4a s ASP 91 Cb -0.11 -2.06 0.39 0.00 -0.30 0.00 0.00 42.92 40.83 2k4a s ASP 91 CO 0.08 -0.00 1.07 0.33 -0.17 0.00 0.00 175.17 176.48 2k4a n PHE 92 N -0.28 3.62 -0.29 -5.34 7.35 0.13 -4.61 117.46 118.04 2k4a n PHE 92 Ca -0.03 -3.39 0.10 0.00 -0.76 0.00 0.00 57.45 53.36 2k4a n PHE 92 Cb 0.53 -0.23 0.23 0.00 0.35 0.00 0.00 39.48 40.35 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 2.73 -0.21 -2.98 -2.13 2.03 -1.92 -3.42 116.42 110.52 2k4a h ASP 93 Ca 0.25 0.21 -0.06 0.00 -0.73 0.00 0.00 57.03 56.70 2k4a h ASP 93 Cb 0.77 0.33 0.03 0.00 -0.83 0.00 0.00 39.33 39.63 2k4a h ASP 93 CO 0.85 -0.19 -0.15 0.54 -1.03 0.00 0.00 179.24 179.26 2k4a n ARG 94 N -5.31 -0.97 0.06 4.15 1.74 -1.26 -4.89 116.66 110.18 2k4a n ARG 94 Ca 0.18 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2k4a n ARG 94 Cb 0.60 -2.85 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 -1.68 -2.59 -3.17 -1.55 7.35 -1.26 -5.16 117.46 109.40 2k4a n PHE 95 Ca -0.04 0.39 -0.03 0.00 -0.76 0.00 0.00 57.45 57.01 2k4a n PHE 95 Cb 0.53 1.26 0.01 0.00 0.35 0.00 0.00 39.48 41.63 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 -2.89 0.58 -4.64 -2.13 3.41 -1.26 -5.04 113.62 101.66 2k4a n SER 96 Ca 0.00 -1.24 -0.43 0.00 -0.26 0.00 0.00 58.87 56.95 2k4a n SER 96 Cb 0.00 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.36 3.94 0.10 4.33 -0.14 -1.26 -4.94 119.74 119.41 2k4a s LYS 97 Ca 0.07 1.71 -0.31 0.00 -1.36 0.00 0.00 55.97 56.08 2k4a s LYS 97 Cb -0.01 -3.97 -0.10 0.00 -1.68 0.00 0.00 37.83 32.07 2k4a s LYS 97 CO 0.05 -1.11 1.88 0.72 -0.76 0.00 0.00 175.35 176.13 2k4a n HIS 98 N 7.86 2.60 -4.13 3.18 8.25 -1.26 -4.98 115.22 126.73 2k4a n HIS 98 Ca 0.17 -0.22 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 2k4a n HIS 98 Cb 0.45 -2.76 -0.06 0.00 1.12 0.00 0.00 29.99 28.74 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 3.25 5.25 -0.69 0.41 2.15 -1.26 -4.96 116.67 120.81 2k4a s ASP 99 Ca 0.84 -0.24 -0.22 0.00 0.43 0.00 0.00 52.55 53.36 2k4a s ASP 99 Cb -0.47 -1.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.95 2k4a s ASP 99 CO 0.39 0.07 0.98 -0.63 -0.17 0.00 0.00 175.17 175.80 2k4a s ILE 100 N -1.79 4.39 0.35 4.11 1.01 -1.26 -3.13 121.20 124.87 2k4a s ILE 100 Ca 0.30 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2k4a s ILE 100 Cb -0.10 -4.69 0.28 0.00 0.01 0.00 0.00 42.46 37.96 2k4a s ILE 100 CO 0.22 -1.46 1.97 0.16 0.00 0.00 0.00 174.94 175.84 2k4a h ILE 101 N 5.97 1.09 -1.84 2.92 -2.65 -1.84 -3.42 117.51 117.73 2k4a h ILE 101 Ca -0.23 -0.29 0.28 0.00 1.03 0.00 0.00 64.86 65.64 2k4a h ILE 101 Cb 1.07 0.17 -0.10 0.00 -2.05 0.00 0.00 36.82 35.91 2k4a h ILE 101 CO 1.17 0.15 0.73 -0.83 0.03 0.00 0.00 178.15 179.41 2k4a s GLY 102 N -3.50 -0.29 -0.29 0.16 0.00 -1.21 -4.47 107.32 97.72 2k4a s GLY 102 Ca -0.10 0.38 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 2k4a s GLY 102 CO 0.77 0.96 0.80 -1.83 0.00 0.00 0.00 173.10 173.80 2k4a s GLU 103 N -2.55 0.52 0.15 2.90 -1.05 0.58 0.11 118.70 119.36 2k4a s GLU 103 Ca 0.16 1.06 0.06 0.00 -0.15 0.00 0.00 54.97 56.11 2k4a s GLU 103 Cb 0.02 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 2k4a s GLU 103 CO -0.01 -0.14 0.02 -0.59 0.95 0.00 0.00 175.26 175.49 2k4a s PHE 104 N 2.04 2.94 0.12 4.83 -0.12 0.22 -3.83 117.98 124.18 2k4a s PHE 104 Ca -0.07 -0.08 -0.16 0.00 -0.05 0.00 0.00 56.93 56.56 2k4a s PHE 104 Cb -0.07 -1.45 0.03 0.00 -0.63 0.00 0.00 43.02 40.91 2k4a s PHE 104 CO -0.18 0.51 0.39 -1.59 -0.05 0.00 0.00 175.22 174.30 2k4a s LYS 105 N -2.78 1.05 -0.21 1.99 0.00 -1.26 0.18 119.74 118.71 2k4a s LYS 105 Ca 0.27 -0.70 -0.19 0.00 0.00 0.00 0.00 55.97 55.35 2k4a s LYS 105 Cb -0.10 0.46 0.05 0.00 0.00 0.00 0.00 37.83 38.24 2k4a s LYS 105 CO 0.19 -0.41 0.55 0.54 0.00 0.00 0.00 175.35 176.23 2k4a s VAL 106 N -3.74 -0.00 -0.02 1.79 0.11 -1.13 -5.03 120.40 112.38 2k4a s VAL 106 Ca 0.03 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.78 2k4a s VAL 106 Cb 0.02 -0.77 -0.08 0.00 -1.53 0.00 0.00 36.38 34.02 2k4a s VAL 106 CO -0.11 0.00 2.00 -2.16 -3.33 0.00 0.00 175.10 171.50 2k4a s PRO 107 N 0.30 3.94 0.14 1.54 0.04 -1.26 -3.58 135.00 136.11 2k4a s PRO 107 Ca -0.00 2.47 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 2k4a s PRO 107 Cb -0.04 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.29 2k4a s PRO 107 CO 0.01 -1.19 1.79 0.52 0.04 0.00 0.00 177.00 178.17 2k4a h MET 108 N 11.46 0.46 -0.97 4.56 2.86 -1.73 -1.03 114.93 130.53 2k4a h MET 108 Ca -0.47 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.26 2k4a h MET 108 Cb 1.24 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.71 2k4a h MET 108 CO 0.95 0.33 0.61 -0.97 1.06 0.00 0.00 176.91 178.89 2k4a h ASN 109 N 0.46 0.84 0.05 1.22 -0.73 -1.66 -2.04 115.58 113.73 2k4a h ASN 109 Ca 0.13 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 2k4a h ASN 109 Cb -0.02 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.45 2k4a h ASN 109 CO -0.03 0.43 -0.03 0.74 -0.37 0.00 0.00 177.43 178.18 2k4a h THR 110 N 0.89 1.20 -2.01 -3.57 2.02 -1.71 -3.42 112.91 106.30 2k4a h THR 110 Ca 0.49 -0.88 -0.58 0.00 0.77 0.00 0.00 66.41 66.20 2k4a h THR 110 Cb 0.57 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2k4a h THR 110 CO -0.25 0.22 1.37 0.52 0.37 0.00 0.00 175.52 177.74 2k4a n VAL 111 N -4.94 0.49 -2.45 3.16 0.31 -0.45 -4.93 118.33 109.51 2k4a n VAL 111 Ca -0.08 -0.31 -0.39 0.00 -0.01 0.00 0.00 64.34 63.55 2k4a n VAL 111 Cb 0.22 -2.33 -0.04 0.00 -0.91 0.00 0.00 33.84 30.78 2k4a n VAL 111 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2k4a s ASP 112 N 6.61 6.99 -0.40 4.52 -4.77 -1.26 -4.91 116.67 123.44 2k4a s ASP 112 Ca 0.97 2.23 0.05 0.00 -3.30 0.00 0.00 52.55 52.50 2k4a s ASP 112 Cb -0.45 -2.61 0.44 0.00 -1.09 0.00 0.00 42.92 39.21 2k4a s ASP 112 CO 0.40 -0.34 1.33 2.22 0.70 0.00 0.00 175.17 179.48 2k4a n PHE 113 N 0.64 2.98 -0.00 2.11 -1.74 -1.26 -4.75 117.46 115.43 2k4a n PHE 113 Ca 0.02 -2.54 -0.17 0.00 -0.56 0.00 0.00 57.45 54.20 2k4a n PHE 113 Cb 0.46 -0.47 -0.11 0.00 1.52 0.00 0.00 39.48 40.88 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 2.29 0.41 0.00 4.97 0.00 -2.02 -3.46 103.07 105.26 2k4a h GLY 114 Ca 0.40 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k4a h GLY 114 CO 0.93 0.65 0.00 1.42 0.00 0.00 0.00 176.54 179.53 2k4a n HIS 115 N -4.26 0.00 -3.66 5.60 8.25 -1.26 -5.11 115.22 114.78 2k4a n HIS 115 Ca -0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.21 2k4a n HIS 115 Cb 0.65 0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.05 0.02 -1.13 1.59 -7.23 -1.26 -4.48 120.40 107.85 2k4a s VAL 116 Ca 0.00 -0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 59.92 2k4a s VAL 116 Cb 0.00 -0.78 0.26 0.00 0.56 0.00 0.00 36.38 36.42 2k4a s VAL 116 CO 0.00 -0.09 1.29 0.41 -0.31 0.00 0.00 175.10 176.40 2k4a n THR 117 N 1.63 4.70 -3.69 5.32 -1.04 0.77 -4.95 114.28 117.02 2k4a n THR 117 Ca -0.18 -5.37 -0.38 0.00 -2.04 0.00 0.00 64.05 56.09 2k4a n THR 117 Cb 0.56 -2.44 -0.12 0.00 -1.82 0.00 0.00 70.33 66.51 2k4a n THR 117 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k4a s GLU 118 N -1.14 3.48 0.03 -2.82 2.02 -1.26 0.28 118.70 119.30 2k4a s GLU 118 Ca 0.33 -0.62 -0.16 0.00 0.02 0.00 0.00 54.97 54.55 2k4a s GLU 118 Cb -0.04 -3.49 0.05 0.00 0.10 0.00 0.00 34.13 30.75 2k4a s GLU 118 CO -0.02 -0.32 0.72 -0.85 0.02 0.00 0.00 175.26 174.80 2k4a n GLU 119 N 4.96 0.22 -4.36 1.61 0.28 -0.47 -5.00 120.64 117.88 2k4a n GLU 119 Ca -0.15 -0.63 -0.34 0.00 -0.16 0.00 0.00 57.16 55.89 2k4a n GLU 119 Cb 0.50 0.94 -0.11 0.00 1.43 0.00 0.00 31.44 34.19 2k4a n GLU 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k4a s TRP 120 N -2.90 3.07 -0.08 -1.84 0.23 -1.26 -1.81 118.94 114.33 2k4a s TRP 120 Ca 0.17 -0.17 0.01 0.00 -2.03 0.00 0.00 56.10 54.08 2k4a s TRP 120 Cb -0.01 -1.93 -0.02 0.00 0.03 0.00 0.00 33.47 31.53 2k4a s TRP 120 CO 0.01 0.08 -0.11 0.50 0.96 0.00 0.00 176.95 178.39 2k4a s ARG 121 N 0.12 2.89 0.33 4.98 6.06 0.31 -4.95 118.95 128.69 2k4a s ARG 121 Ca -0.00 -0.63 -0.28 0.00 -2.50 0.00 0.00 55.73 52.32 2k4a s ARG 121 Cb -0.13 -2.56 -0.10 0.00 0.06 0.00 0.00 34.95 32.22 2k4a s ARG 121 CO 0.02 0.51 1.22 0.16 -2.50 0.00 0.00 175.30 174.71 2k4a s ASP 122 N -0.41 6.86 -0.35 -2.12 -4.77 -1.26 0.16 116.67 114.79 2k4a s ASP 122 Ca 0.05 2.50 -0.17 0.00 -3.30 0.00 0.00 52.55 51.63 2k4a s ASP 122 Cb -0.12 -2.64 -0.01 0.00 -1.09 0.00 0.00 42.92 39.07 2k4a s ASP 122 CO 0.02 -0.45 0.48 -0.76 0.70 0.00 0.00 175.17 175.16 2k4a s LEU 123 N -1.84 4.36 -0.04 2.11 1.43 0.25 -4.70 118.68 120.24 2k4a s LEU 123 Ca 0.49 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 2k4a s LEU 123 Cb -0.36 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2k4a s LEU 123 CO 0.47 -0.45 0.31 -1.10 0.23 0.00 0.00 176.35 175.81 2k4a s GLN 124 N 2.31 3.77 -0.41 1.70 -0.21 -1.25 -1.44 119.66 124.14 2k4a s GLN 124 Ca 0.17 0.22 -0.14 0.00 0.02 0.00 0.00 55.36 55.63 2k4a s GLN 124 Cb -0.16 -3.22 0.03 0.00 1.00 0.00 0.00 33.01 30.66 2k4a s GLN 124 CO 0.13 0.71 0.29 -1.12 -2.12 0.00 0.00 175.29 173.17 2k4a s SER 125 N -1.02 6.02 -0.13 5.90 0.01 -1.26 0.21 113.70 123.44 2k4a s SER 125 Ca 0.21 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.44 2k4a s SER 125 Cb -0.15 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 2k4a s SER 125 CO 0.10 -0.45 0.05 0.00 0.41 0.00 0.00 173.24 173.35 2k4a s ALA 126 N 1.64 3.46 -1.14 1.44 0.00 -1.26 -4.38 121.76 121.53 2k4a s ALA 126 Ca 0.04 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 2k4a s ALA 126 Cb -0.20 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2k4a s ALA 126 CO 0.09 0.46 2.05 0.39 0.00 0.00 0.00 175.76 178.75 2k4a n GLU 127 N 2.57 2.22 0.00 0.00 1.02 -1.26 -4.80 120.64 120.39 2k4a n GLU 127 Ca -0.18 -2.32 0.13 0.00 -0.02 0.00 0.00 57.16 54.77 2k4a n GLU 127 Cb 0.53 -3.17 0.34 0.00 -0.02 0.00 0.00 31.44 29.12 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94