#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.56 0.00 3.49 0.00 -1.26 -4.52 119.74 118.01 2k4a s LYS 2 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 55.97 57.27 2k4a s LYS 2 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 37.83 38.39 2k4a s LYS 2 CO 0.00 -0.19 0.72 -0.11 0.00 0.00 0.00 175.35 175.77 2k4a n LEU 3 N 5.08 1.43 0.00 2.77 7.94 0.13 -3.84 117.00 130.52 2k4a n LEU 3 Ca -0.14 -1.43 0.00 0.00 -1.11 0.00 0.00 56.01 53.33 2k4a n LEU 3 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2k4a n LEU 3 CO -0.02 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 2k4a n GLY 4 N -0.22 1.04 3.10 -3.96 0.00 -1.07 -4.05 105.19 100.03 2k4a n GLY 4 Ca 0.00 -1.53 -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 0.00 0.52 -0.05 1.61 1.02 0.22 0.11 119.74 123.16 2k4a s LYS 5 Ca 0.00 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 2k4a s LYS 5 Cb 0.00 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 2k4a s LYS 5 CO 0.00 -0.12 0.00 -1.17 -0.92 0.00 0.00 175.35 173.14 2k4a s LEU 6 N -1.80 0.76 -0.02 3.17 0.20 0.30 0.13 118.68 121.43 2k4a s LEU 6 Ca -0.10 -0.05 -0.18 0.00 0.69 0.00 0.00 54.13 54.49 2k4a s LEU 6 Cb -0.04 -0.35 -0.05 0.00 -0.43 0.00 0.00 46.19 45.31 2k4a s LEU 6 CO -0.02 -0.16 0.50 -1.10 -0.29 0.00 0.00 176.35 175.28 2k4a s GLN 7 N 1.63 4.18 0.07 1.98 -1.52 0.02 -0.36 119.66 125.66 2k4a s GLN 7 Ca -0.01 0.56 -0.17 0.00 -1.95 0.00 0.00 55.36 53.80 2k4a s GLN 7 Cb -0.13 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.39 2k4a s GLN 7 CO -0.03 0.47 0.39 1.52 -0.25 0.00 0.00 175.29 177.38 2k4a s TYR 8 N -0.44 -0.21 -0.27 0.91 1.13 -0.92 0.19 117.35 117.74 2k4a s TYR 8 Ca 0.27 0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 55.97 2k4a s TYR 8 Cb -0.17 0.21 0.09 0.00 -1.10 0.00 0.00 41.96 40.98 2k4a s TYR 8 CO 0.15 -0.60 0.09 -1.54 -2.51 0.00 0.00 175.55 171.13 2k4a s SER 9 N -2.30 3.58 -0.21 -0.18 1.04 0.34 -1.34 113.70 114.62 2k4a s SER 9 Ca -0.02 -1.31 -0.09 0.00 0.48 0.00 0.00 55.95 55.00 2k4a s SER 9 Cb 0.00 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.41 2k4a s SER 9 CO -0.06 -0.39 0.12 -0.76 0.98 0.00 0.00 173.24 173.13 2k4a s LEU 10 N 1.80 4.04 0.34 2.42 1.43 0.19 -2.14 118.68 126.76 2k4a s LEU 10 Ca 0.06 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 2k4a s LEU 10 Cb -0.17 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 2k4a s LEU 10 CO -0.23 0.13 -0.08 1.51 0.23 0.00 0.00 176.35 177.91 2k4a s ASP 11 N 0.65 3.61 0.06 2.29 1.47 -0.08 0.24 116.67 124.91 2k4a s ASP 11 Ca 0.06 -1.22 0.08 0.00 1.18 0.00 0.00 52.55 52.66 2k4a s ASP 11 Cb -0.12 -0.33 -0.03 0.00 -0.34 0.00 0.00 42.92 42.10 2k4a s ASP 11 CO 0.01 -0.25 -0.22 -0.72 0.68 0.00 0.00 175.17 174.68 2k4a s TYR 12 N -2.68 2.46 -0.18 2.11 1.13 -1.25 0.18 117.35 119.12 2k4a s TYR 12 Ca 0.32 -0.32 -0.01 0.00 -1.41 0.00 0.00 57.07 55.66 2k4a s TYR 12 Cb 0.03 -1.41 -0.00 0.00 -1.10 0.00 0.00 41.96 39.48 2k4a s TYR 12 CO 0.16 0.23 -0.12 0.34 -2.51 0.00 0.00 175.55 173.65 2k4a s ASP 13 N -1.50 3.83 -0.02 -0.18 -1.08 0.11 -4.91 116.67 112.92 2k4a s ASP 13 Ca 0.14 -0.45 0.19 0.00 -0.52 0.00 0.00 52.55 51.91 2k4a s ASP 13 Cb -0.10 -1.61 0.59 0.00 -1.46 0.00 0.00 42.92 40.34 2k4a s ASP 13 CO 0.05 0.05 1.50 2.22 0.52 0.00 0.00 175.17 179.51 2k4a n PHE 14 N 4.30 0.96 -0.13 -5.34 1.16 -1.26 -2.47 117.46 114.67 2k4a n PHE 14 Ca -0.19 -0.53 -0.27 0.00 -1.87 0.00 0.00 57.45 54.60 2k4a n PHE 14 Cb 0.51 -0.05 -0.11 0.00 -1.61 0.00 0.00 39.48 38.22 2k4a n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k4a n GLN 15 N 1.30 0.61 -0.01 3.97 10.64 -1.26 -4.58 117.38 128.05 2k4a n GLN 15 Ca 0.22 0.25 0.10 0.00 -1.83 0.00 0.00 57.00 55.75 2k4a n GLN 15 Cb 0.63 -1.51 -0.15 0.00 -0.86 0.00 0.00 30.24 28.35 2k4a n GLN 15 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2k4a n ASN 16 N -4.02 0.42 -1.94 2.61 0.23 -1.26 -5.03 115.26 106.27 2k4a n ASN 16 Ca -0.51 -0.34 -0.02 0.00 -0.53 0.00 0.00 54.58 53.17 2k4a n ASN 16 Cb 0.91 1.64 0.01 0.00 -2.08 0.00 0.00 39.78 40.25 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 -1.98 -3.37 -3.73 0.53 3.02 -1.13 -4.94 115.26 103.67 2k4a n ASN 17 Ca -0.01 -0.12 -0.13 0.00 -0.03 0.00 0.00 54.58 54.29 2k4a n ASN 17 Cb 0.47 -1.92 -0.09 0.00 -0.61 0.00 0.00 39.78 37.63 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 -3.22 0.57 -0.11 3.52 1.03 -1.03 -3.05 119.66 117.37 2k4a s GLN 18 Ca 0.07 0.28 -0.15 0.00 0.04 0.00 0.00 55.36 55.60 2k4a s GLN 18 Cb -0.01 0.27 -0.05 0.00 0.03 0.00 0.00 33.01 33.25 2k4a s GLN 18 CO 0.20 -0.12 0.35 -0.51 -2.54 0.00 0.00 175.29 172.68 2k4a s LEU 19 N -0.41 4.31 -0.61 2.60 1.43 -0.82 -0.71 118.68 124.48 2k4a s LEU 19 Ca -0.05 0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 53.53 2k4a s LEU 19 Cb -0.03 -2.48 0.08 0.00 0.03 0.00 0.00 46.19 43.79 2k4a s LEU 19 CO 0.02 0.15 0.81 -0.22 0.23 0.00 0.00 176.35 177.34 2k4a s LEU 20 N 0.06 4.89 -1.13 1.79 1.98 0.46 0.55 118.68 127.28 2k4a s LEU 20 Ca 0.20 -1.15 -0.18 0.00 -2.89 0.00 0.00 54.13 50.11 2k4a s LEU 20 Cb -0.14 -2.39 0.11 0.00 0.66 0.00 0.00 46.19 44.43 2k4a s LEU 20 CO 0.08 -1.23 1.46 -0.69 -1.89 0.00 0.00 176.35 174.08 2k4a s VAL 21 N 3.28 4.48 -0.85 1.68 1.01 0.55 -0.90 120.40 129.65 2k4a s VAL 21 Ca 0.17 -1.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.16 2k4a s VAL 21 Cb -0.20 -4.99 0.16 0.00 0.00 0.00 0.00 36.38 31.34 2k4a s VAL 21 CO 0.09 -1.78 0.95 -0.83 0.00 0.00 0.00 175.10 173.53 2k4a s GLY 22 N 3.84 2.19 0.37 4.51 0.00 -0.91 -2.57 107.32 114.75 2k4a s GLY 22 Ca 0.44 -2.92 -0.17 0.00 0.00 0.00 0.00 44.72 42.08 2k4a s GLY 22 CO -0.02 1.68 0.82 -0.26 0.00 0.00 0.00 173.10 175.32 2k4a s ILE 23 N 1.73 4.58 -0.16 0.90 -0.00 -1.25 0.13 121.20 127.12 2k4a s ILE 23 Ca 0.25 1.13 -0.13 0.00 -0.00 0.00 0.00 60.65 61.90 2k4a s ILE 23 Cb -0.09 -3.62 -0.08 0.00 -0.00 0.00 0.00 42.46 38.67 2k4a s ILE 23 CO -0.08 -0.27 -0.04 0.40 -0.00 0.00 0.00 174.94 174.96 2k4a h ILE 24 N 1.86 0.31 -1.70 8.37 2.04 0.18 -3.34 117.51 125.23 2k4a h ILE 24 Ca -0.48 -1.39 0.33 0.00 1.00 0.00 0.00 64.86 64.32 2k4a h ILE 24 Cb 1.18 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 37.89 2k4a h ILE 24 CO 0.64 0.10 0.85 0.00 0.00 0.00 0.00 178.15 179.74 2k4a s GLN 25 N -2.25 0.41 -0.02 2.37 1.03 -1.13 -2.80 119.66 117.28 2k4a s GLN 25 Ca -0.19 -0.25 0.08 0.00 0.04 0.00 0.00 55.36 55.04 2k4a s GLN 25 Cb 0.03 0.13 -0.02 0.00 0.03 0.00 0.00 33.01 33.18 2k4a s GLN 25 CO 0.33 -0.19 -0.25 0.00 -2.54 0.00 0.00 175.29 172.64 2k4a s ALA 26 N -2.27 2.23 0.02 2.60 0.00 -1.22 -0.80 121.76 122.33 2k4a s ALA 26 Ca 0.20 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.11 2k4a s ALA 26 Cb 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2k4a s ALA 26 CO -0.03 0.53 -0.20 0.00 0.00 0.00 0.00 175.76 176.07 2k4a s ALA 27 N -0.64 1.65 -0.90 0.00 0.00 0.35 -3.68 121.76 118.54 2k4a s ALA 27 Ca 0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2k4a s ALA 27 Cb -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2k4a s ALA 27 CO -0.01 0.38 0.76 0.39 0.00 0.00 0.00 175.76 177.28 2k4a n GLU 28 N 2.12 -4.26 -2.91 0.00 1.02 -0.94 -0.61 120.64 115.05 2k4a n GLU 28 Ca -0.16 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.28 2k4a n GLU 28 Cb 0.53 -5.04 -0.06 0.00 -0.02 0.00 0.00 31.44 26.85 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 -5.24 4.20 0.85 -4.62 1.43 -0.19 -3.36 118.68 111.76 2k4a s LEU 29 Ca 0.09 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 2k4a s LEU 29 Cb -0.01 -4.07 0.11 0.00 0.03 0.00 0.00 46.19 42.25 2k4a s LEU 29 CO 0.57 -0.14 1.13 -2.84 0.23 0.00 0.00 176.35 175.30 2k4a s PRO 30 N -2.45 1.54 0.42 1.29 0.02 -1.26 -4.78 135.00 129.78 2k4a s PRO 30 Ca 0.52 1.44 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 2k4a s PRO 30 Cb -0.15 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 2k4a s PRO 30 CO 0.19 -2.22 0.70 0.00 -0.33 0.00 0.00 177.00 175.35 2k4a s ALA 31 N -2.67 3.49 0.05 -1.55 0.00 -1.26 -4.51 121.76 115.31 2k4a s ALA 31 Ca 0.66 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2k4a s ALA 31 Cb -0.21 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2k4a s ALA 31 CO 0.56 -0.18 0.00 -0.11 0.00 0.00 0.00 175.76 176.03 2k4a n LEU 32 N -1.92 -0.37 -4.69 0.00 -0.00 0.22 -4.90 117.00 105.34 2k4a n LEU 32 Ca -0.01 0.10 -0.30 0.00 -0.00 0.00 0.00 56.01 55.80 2k4a n LEU 32 Cb 0.55 0.64 0.15 0.00 -0.00 0.00 0.00 43.42 44.76 2k4a n LEU 32 CO 0.51 -0.44 0.66 -0.62 -0.00 0.00 0.00 177.39 177.50 2k4a s ASP 33 N -3.04 3.29 -1.21 1.96 -1.08 0.43 -4.85 116.67 112.17 2k4a s ASP 33 Ca 0.00 1.85 -0.21 0.00 -0.52 0.00 0.00 52.55 53.67 2k4a s ASP 33 Cb 0.00 -2.44 -0.05 0.00 -1.46 0.00 0.00 42.92 38.97 2k4a s ASP 33 CO 0.00 -2.81 1.89 0.80 0.52 0.00 0.00 175.17 175.56 2k4a n MET 34 N -4.03 2.02 0.00 4.34 0.00 -1.26 -3.72 117.12 114.47 2k4a n MET 34 Ca 0.09 -2.66 0.00 0.00 -0.00 0.00 0.00 57.70 55.13 2k4a n MET 34 Cb 0.53 -3.65 0.00 0.00 0.00 0.00 0.00 33.22 30.10 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 5.63 0.00 3.82 -5.12 0.00 -1.26 -4.93 105.19 103.33 2k4a n GLY 35 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N 0.00 -0.45 3.46 -0.02 0.00 -1.24 -4.88 105.19 102.06 2k4a n GLY 36 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.94 0.00 0.34 2.61 -4.23 -1.25 -4.76 115.64 105.41 2k4a s THR 37 Ca 0.56 -1.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.23 2k4a s THR 37 Cb -0.32 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 70.93 2k4a s THR 37 CO 0.69 0.00 0.80 -0.44 -0.54 0.00 0.00 174.62 175.13 2k4a s SER 38 N -3.27 -0.06 -0.74 3.99 0.01 -1.26 0.16 113.70 112.53 2k4a s SER 38 Ca 0.32 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.64 2k4a s SER 38 Cb -0.00 0.79 0.31 0.00 0.21 0.00 0.00 66.02 67.32 2k4a s SER 38 CO 0.22 -1.55 1.12 0.47 0.41 0.00 0.00 173.24 173.91 2k4a n ASP 39 N -1.16 5.05 -4.69 2.44 9.92 -1.26 -0.01 116.55 126.84 2k4a n ASP 39 Ca -0.07 -3.58 -0.42 0.00 -0.53 0.00 0.00 54.79 50.19 2k4a n ASP 39 Cb 0.60 -0.80 -0.03 0.00 -0.64 0.00 0.00 41.12 40.25 2k4a n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k4a s PRO 40 N -3.24 4.34 -0.05 -0.24 0.04 -1.24 -0.50 135.00 134.10 2k4a s PRO 40 Ca 0.42 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.25 2k4a s PRO 40 Cb 0.19 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2k4a s PRO 40 CO -0.06 -0.47 -0.10 1.52 0.04 0.00 0.00 177.00 177.92 2k4a s TYR 41 N 2.18 1.20 -0.16 0.56 -0.85 0.45 -3.95 117.35 116.78 2k4a s TYR 41 Ca 0.58 -0.39 -0.29 0.00 -0.52 0.00 0.00 57.07 56.45 2k4a s TYR 41 Cb -0.27 -0.90 -0.00 0.00 0.38 0.00 0.00 41.96 41.17 2k4a s TYR 41 CO 0.24 -0.21 1.07 0.14 -1.52 0.00 0.00 175.55 175.27 2k4a s VAL 42 N 0.58 4.62 -0.47 -3.49 -7.23 -1.26 0.12 120.40 113.27 2k4a s VAL 42 Ca -0.11 1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 61.88 2k4a s VAL 42 Cb -0.14 -4.24 0.11 0.00 0.56 0.00 0.00 36.38 32.67 2k4a s VAL 42 CO 0.02 -0.10 0.35 -1.59 -0.31 0.00 0.00 175.10 173.47 2k4a s LYS 43 N 2.75 2.61 -0.11 4.82 -2.85 0.45 -3.01 119.74 124.39 2k4a s LYS 43 Ca 0.48 -1.65 -0.29 0.00 -1.00 0.00 0.00 55.97 53.50 2k4a s LYS 43 Cb -0.18 -3.95 -0.04 0.00 -2.06 0.00 0.00 37.83 31.60 2k4a s LYS 43 CO 0.13 -1.14 1.61 0.14 0.10 0.00 0.00 175.35 176.19 2k4a s VAL 44 N 1.43 3.68 0.35 1.79 -7.23 -1.08 -2.51 120.40 116.83 2k4a s VAL 44 Ca 0.05 0.80 0.05 0.00 -1.81 0.00 0.00 61.98 61.07 2k4a s VAL 44 Cb -0.26 -3.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.04 2k4a s VAL 44 CO 0.01 -0.13 0.02 -0.36 -0.31 0.00 0.00 175.10 174.33 2k4a s PHE 45 N 4.38 2.19 0.07 2.82 0.40 0.23 -3.48 117.98 124.58 2k4a s PHE 45 Ca 0.71 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2k4a s PHE 45 Cb -0.30 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 2k4a s PHE 45 CO 0.28 0.23 -0.05 -0.51 0.70 0.00 0.00 175.22 175.86 2k4a s LEU 46 N -3.57 2.45 0.00 -0.37 2.01 -1.26 0.37 118.68 118.31 2k4a s LEU 46 Ca 0.35 -0.90 -0.08 0.00 0.01 0.00 0.00 54.13 53.50 2k4a s LEU 46 Cb 0.08 0.01 0.13 0.00 0.01 0.00 0.00 46.19 46.42 2k4a s LEU 46 CO 0.16 -0.46 0.31 0.00 1.01 0.00 0.00 176.35 177.38 2k4a n LEU 47 N 0.33 0.00 -0.08 1.79 -0.00 -0.80 -4.18 117.00 114.07 2k4a n LEU 47 Ca -0.15 -0.32 0.04 0.00 -0.00 0.00 0.00 56.01 55.59 2k4a n LEU 47 Cb 0.60 -0.35 0.08 0.00 -0.00 0.00 0.00 43.42 43.75 2k4a n LEU 47 CO 0.27 -1.90 0.19 -2.65 -0.00 0.00 0.00 177.39 173.31 2k4a n PRO 48 N -3.24 -0.02 -0.34 1.47 -0.02 -1.26 0.92 135.00 132.52 2k4a n PRO 48 Ca 0.05 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 2k4a n PRO 48 Cb 0.21 -0.54 0.11 0.00 -0.02 0.00 0.00 33.50 33.26 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 -3.91 -0.38 -2.30 2.55 2.03 -1.26 -4.74 116.55 108.53 2k4a n ASP 49 Ca 0.06 1.59 -0.04 0.00 0.52 0.00 0.00 54.79 56.92 2k4a n ASP 49 Cb 0.20 -0.46 -0.00 0.00 -0.72 0.00 0.00 41.12 40.14 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 -5.48 -2.51 -2.25 -0.67 4.76 0.26 -4.83 118.16 107.45 2k4a n LYS 50 Ca 0.14 0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 55.41 2k4a n LYS 50 Cb 0.44 -4.70 0.01 0.00 -1.84 0.00 0.00 35.03 28.95 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 -2.44 4.49 0.00 1.97 5.02 -1.26 -4.84 118.16 121.10 2k4a n LYS 51 Ca -0.05 -3.96 0.00 0.00 -2.02 0.00 0.00 58.31 52.28 2k4a n LYS 51 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 0.38 0.00 -3.15 1.97 2.85 -1.26 -4.20 118.16 114.75 2k4a n LYS 52 Ca 0.52 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.82 2k4a n LYS 52 Cb 0.28 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.65 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 -0.71 0.56 -0.02 -1.58 2.20 -1.26 -4.47 119.74 114.46 2k4a s LYS 53 Ca 0.00 0.94 0.05 0.00 -0.36 0.00 0.00 55.97 56.60 2k4a s LYS 53 Cb 0.00 0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 2k4a s LYS 53 CO 0.00 -0.68 -0.16 0.12 -0.36 0.00 0.00 175.35 174.28 2k4a s PHE 54 N 2.85 1.42 -0.21 4.03 5.36 -1.23 -5.04 117.98 125.16 2k4a s PHE 54 Ca 0.19 -0.28 -0.04 0.00 -0.96 0.00 0.00 56.93 55.84 2k4a s PHE 54 Cb -0.14 -0.92 -0.01 0.00 -0.34 0.00 0.00 43.02 41.61 2k4a s PHE 54 CO -0.22 -0.04 -0.05 -2.00 -1.46 0.00 0.00 175.22 171.46 2k4a s GLU 55 N -0.31 3.42 0.95 10.12 2.12 -1.26 -2.63 118.70 131.11 2k4a s GLU 55 Ca 0.05 -0.61 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 2k4a s GLU 55 Cb -0.07 -2.97 0.16 0.00 0.26 0.00 0.00 34.13 31.51 2k4a s GLU 55 CO -0.00 -0.11 1.15 0.95 -0.54 0.00 0.00 175.26 176.71 2k4a s THR 56 N 1.25 1.96 -0.10 -1.70 -4.23 -1.16 -4.98 115.64 106.68 2k4a s THR 56 Ca 0.03 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 2k4a s THR 56 Cb -0.14 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 2k4a s THR 56 CO -0.01 0.00 1.17 -0.75 -0.54 0.00 0.00 174.62 174.48 2k4a s LYS 57 N -5.34 4.34 0.18 3.99 2.20 -1.26 -4.87 119.74 118.98 2k4a s LYS 57 Ca 0.65 1.60 -0.33 0.00 -0.36 0.00 0.00 55.97 57.54 2k4a s LYS 57 Cb -0.13 -3.60 -0.15 0.00 -1.51 0.00 0.00 37.83 32.44 2k4a s LYS 57 CO 0.54 -0.48 1.24 1.55 -0.36 0.00 0.00 175.35 177.83 2k4a n VAL 58 N 4.79 0.83 -3.69 4.02 3.14 -1.26 -4.82 118.33 121.34 2k4a n VAL 58 Ca 0.11 -0.21 -0.37 0.00 -2.96 0.00 0.00 64.34 60.91 2k4a n VAL 58 Cb 0.46 -1.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.15 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 -0.09 3.45 0.03 1.45 0.09 -1.25 -5.05 115.29 113.91 2k4a s HIS 59 Ca 0.73 -2.70 -0.35 0.00 -0.00 0.00 0.00 55.06 52.74 2k4a s HIS 59 Cb -0.81 -3.24 -0.14 0.00 -0.00 0.00 0.00 32.58 28.40 2k4a s HIS 59 CO 0.51 -0.84 1.67 2.89 -0.00 0.00 0.00 174.74 178.97 2k4a n ARG 60 N 3.40 1.96 -3.36 1.40 -4.01 -1.26 -3.72 116.66 111.08 2k4a n ARG 60 Ca 0.09 0.71 -0.31 0.00 -1.04 0.00 0.00 57.85 57.31 2k4a n ARG 60 Cb 0.38 -2.49 0.02 0.00 -3.04 0.00 0.00 32.46 27.34 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 4.65 -1.58 -3.65 2.89 4.76 -0.74 -4.92 118.16 119.56 2k4a n LYS 61 Ca 0.20 1.04 -0.06 0.00 -2.87 0.00 0.00 58.31 56.62 2k4a n LYS 61 Cb 0.27 -1.81 -0.07 0.00 -1.84 0.00 0.00 35.03 31.58 2k4a n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k4a s THR 62 N -1.81 -0.24 -2.16 -0.18 -1.32 0.99 -4.80 115.64 106.12 2k4a s THR 62 Ca 0.23 0.01 0.18 0.00 -1.21 0.00 0.00 61.69 60.91 2k4a s THR 62 Cb -0.02 -0.95 0.22 0.00 -1.51 0.00 0.00 72.50 70.24 2k4a s THR 62 CO 0.78 0.01 1.16 0.18 -2.21 0.00 0.00 174.62 174.53 2k4a n LEU 63 N 4.60 2.76 -2.82 9.08 4.77 -1.26 -4.43 117.00 129.70 2k4a n LEU 63 Ca -0.18 -1.21 -0.11 0.00 -0.03 0.00 0.00 56.01 54.48 2k4a n LEU 63 Cb 0.56 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2k4a n LEU 63 CO -0.01 0.54 0.15 -3.20 -1.33 0.00 0.00 177.39 173.53 2k4a n ASN 64 N 1.08 -0.68 -4.85 -1.43 5.15 -1.26 -1.02 115.26 112.25 2k4a n ASN 64 Ca 0.13 -3.02 -0.32 0.00 -0.60 0.00 0.00 54.58 50.76 2k4a n ASN 64 Cb 0.48 0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 40.25 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 -1.11 4.01 0.08 1.20 0.04 -1.24 -4.94 135.00 133.03 2k4a s PRO 65 Ca 0.27 0.70 0.10 0.00 0.04 0.00 0.00 61.00 62.11 2k4a s PRO 65 Cb 0.37 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k4a s PRO 65 CO -0.05 0.13 -0.25 0.14 0.04 0.00 0.00 177.00 177.01 2k4a s VAL 66 N -2.03 2.30 0.00 -0.36 -7.23 -1.26 -3.38 120.40 108.45 2k4a s VAL 66 Ca 0.55 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2k4a s VAL 66 Cb -0.10 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.88 2k4a s VAL 66 CO 0.18 0.25 0.00 0.33 -0.31 0.00 0.00 175.10 175.55 2k4a n PHE 67 N 1.39 -1.68 -2.36 2.82 -0.00 -1.23 -5.08 117.46 111.32 2k4a n PHE 67 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.27 2k4a n PHE 67 Cb 0.52 0.34 0.00 0.00 -0.00 0.00 0.00 39.48 40.34 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 -2.27 -5.29 -4.82 -2.13 5.15 -1.12 -5.01 115.26 99.76 2k4a n ASN 68 Ca 0.00 0.02 -0.33 0.00 -0.60 0.00 0.00 54.58 53.67 2k4a n ASN 68 Cb 0.00 -3.44 -0.06 0.00 -0.53 0.00 0.00 39.78 35.74 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 -2.80 4.15 -0.46 1.20 8.01 -1.25 -4.90 118.70 122.64 2k4a s GLU 69 Ca 0.03 1.09 -0.15 0.00 0.01 0.00 0.00 54.97 55.95 2k4a s GLU 69 Cb -0.01 -2.17 0.07 0.00 -4.31 0.00 0.00 34.13 27.71 2k4a s GLU 69 CO 0.42 -0.10 0.38 -1.14 0.01 0.00 0.00 175.26 174.83 2k4a s GLN 70 N -3.38 2.97 -0.27 1.61 -0.44 -1.26 -3.81 119.66 115.08 2k4a s GLN 70 Ca 0.62 -1.31 -0.11 0.00 -2.50 0.00 0.00 55.36 52.05 2k4a s GLN 70 Cb -0.10 -4.11 -0.05 0.00 -1.64 0.00 0.00 33.01 27.12 2k4a s GLN 70 CO 0.17 -0.99 0.21 0.12 0.50 0.00 0.00 175.29 175.30 2k4a s PHE 71 N 1.64 3.25 -0.50 1.67 5.36 -1.06 -4.98 117.98 123.36 2k4a s PHE 71 Ca 0.04 0.19 -0.19 0.00 -0.96 0.00 0.00 56.93 56.01 2k4a s PHE 71 Cb -0.24 -2.38 0.05 0.00 -0.34 0.00 0.00 43.02 40.12 2k4a s PHE 71 CO 0.07 -0.11 0.64 0.99 -1.46 0.00 0.00 175.22 175.34 2k4a s THR 72 N 1.62 4.85 -1.15 0.12 2.01 -1.26 -0.33 115.64 121.50 2k4a s THR 72 Ca 0.08 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.45 2k4a s THR 72 Cb -0.15 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2k4a s THR 72 CO 0.09 -0.80 1.84 0.12 -0.69 0.00 0.00 174.62 175.19 2k4a s PHE 73 N 2.69 2.20 -0.76 4.92 5.36 0.19 -4.88 117.98 127.70 2k4a s PHE 73 Ca 0.16 -0.17 -0.26 0.00 -0.96 0.00 0.00 56.93 55.70 2k4a s PHE 73 Cb -0.18 -4.27 -0.11 0.00 -0.34 0.00 0.00 43.02 38.12 2k4a s PHE 73 CO 0.13 -1.52 2.30 0.15 -1.46 0.00 0.00 175.22 174.82 2k4a s LYS 74 N 5.84 1.89 -0.30 10.12 -0.14 -1.26 -1.95 119.74 133.95 2k4a s LYS 74 Ca 0.63 0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 55.57 2k4a s LYS 74 Cb -0.00 -4.79 0.22 0.00 -1.68 0.00 0.00 37.83 31.58 2k4a s LYS 74 CO 0.07 -4.00 1.29 0.08 -0.76 0.00 0.00 175.35 172.04 2k4a s VAL 75 N 13.29 0.00 0.28 3.17 1.01 -1.17 -4.71 120.40 132.26 2k4a s VAL 75 Ca 0.88 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 2k4a s VAL 75 Cb -0.12 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.13 2k4a s VAL 75 CO 0.10 0.00 1.42 -2.65 0.00 0.00 0.00 175.10 173.97 2k4a n PRO 76 N 3.00 2.20 -0.33 2.72 -0.02 -1.23 -4.07 135.00 137.27 2k4a n PRO 76 Ca -0.17 0.78 0.18 0.00 -2.02 0.00 0.00 63.50 62.27 2k4a n PRO 76 Cb 0.56 -2.45 0.38 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.93 0.82 0.00 6.00 -0.00 -1.88 1.02 116.97 126.86 2k4a h TYR 77 Ca -0.46 0.04 -0.01 0.00 0.00 0.00 0.00 58.73 58.30 2k4a h TYR 77 Cb 1.27 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.79 2k4a h TYR 77 CO 0.55 -0.06 -0.06 0.77 -0.00 0.00 0.00 178.16 179.36 2k4a h SER 78 N 0.42 0.00 0.45 0.10 0.02 -2.00 -2.38 113.55 110.16 2k4a h SER 78 Ca 0.64 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.30 2k4a h SER 78 Cb 1.29 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2k4a h SER 78 CO -0.55 0.06 -1.76 1.21 -1.14 0.00 0.00 176.83 174.65 2k4a n GLU 79 N -3.60 0.64 -0.43 3.45 2.13 0.34 -4.26 120.64 118.90 2k4a n GLU 79 Ca -0.02 0.24 0.35 0.00 0.66 0.00 0.00 57.16 58.39 2k4a n GLU 79 Cb 0.17 -1.76 0.64 0.00 0.27 0.00 0.00 31.44 30.76 2k4a n GLU 79 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2k4a h LEU 80 N 0.00 0.26 -1.58 4.31 6.46 -0.50 0.13 115.31 124.39 2k4a h LEU 80 Ca -0.30 0.13 0.30 0.00 -0.12 0.00 0.00 57.88 57.89 2k4a h LEU 80 Cb 1.98 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 41.95 2k4a h LEU 80 CO 0.07 -0.15 0.74 1.23 -0.62 0.00 0.00 178.44 179.70 2k4a h GLY 81 N 0.12 0.80 -2.86 3.75 0.00 -1.74 0.15 103.07 103.28 2k4a h GLY 81 Ca 0.79 -0.13 -0.30 0.00 0.00 0.00 0.00 47.33 47.70 2k4a h GLY 81 CO -0.40 -0.11 0.22 0.61 0.00 0.00 0.00 176.54 176.86 2k4a n GLY 82 N -1.58 4.62 2.75 4.60 0.00 0.46 -3.83 105.19 112.21 2k4a n GLY 82 Ca 0.26 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.23 0.65 -0.43 1.61 3.01 0.53 -4.87 119.74 117.00 2k4a s LYS 83 Ca 0.50 -0.26 -0.19 0.00 -1.01 0.00 0.00 55.97 55.01 2k4a s LYS 83 Cb 0.43 -1.78 0.02 0.00 -1.01 0.00 0.00 37.83 35.50 2k4a s LYS 83 CO 0.05 -0.54 0.52 0.99 0.51 0.00 0.00 175.35 176.88 2k4a s THR 84 N 1.89 4.99 0.37 2.17 2.01 -1.26 -3.76 115.64 122.05 2k4a s THR 84 Ca 0.01 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 2k4a s THR 84 Cb -0.16 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 2k4a s THR 84 CO -0.07 -0.49 1.02 -1.48 -0.69 0.00 0.00 174.62 172.91 2k4a s LEU 85 N 2.40 4.21 -0.08 4.42 2.34 -1.25 -1.90 118.68 128.82 2k4a s LEU 85 Ca 0.16 1.99 -0.00 0.00 0.06 0.00 0.00 54.13 56.34 2k4a s LEU 85 Cb -0.16 -4.12 0.02 0.00 -0.56 0.00 0.00 46.19 41.37 2k4a s LEU 85 CO 0.16 -0.36 -0.05 0.68 -1.06 0.00 0.00 176.35 175.71 2k4a s VAL 86 N -1.64 0.74 -0.37 1.48 -7.23 0.16 -3.13 120.40 110.42 2k4a s VAL 86 Ca 0.55 -0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.49 2k4a s VAL 86 Cb -0.21 -0.79 0.05 0.00 0.56 0.00 0.00 36.38 35.99 2k4a s VAL 86 CO 0.27 0.30 0.17 -0.32 -0.31 0.00 0.00 175.10 175.21 2k4a s MET 87 N 1.47 2.66 -0.14 4.82 0.00 0.28 0.76 119.30 129.15 2k4a s MET 87 Ca -0.01 -1.23 -0.03 0.00 0.00 0.00 0.00 55.69 54.42 2k4a s MET 87 Cb -0.13 -3.61 -0.03 0.00 0.00 0.00 0.00 34.83 31.06 2k4a s MET 87 CO -0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 175.02 174.18 2k4a s ALA 88 N 1.44 2.95 -0.35 4.11 0.00 -1.05 0.65 121.76 129.51 2k4a s ALA 88 Ca 0.01 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 2k4a s ALA 88 Cb -0.20 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k4a s ALA 88 CO 0.04 0.25 0.54 0.54 0.00 0.00 0.00 175.76 177.13 2k4a s VAL 89 N 0.25 4.99 -0.06 0.00 0.11 0.13 0.17 120.40 125.99 2k4a s VAL 89 Ca -0.04 0.38 -0.04 0.00 -2.93 0.00 0.00 61.98 59.35 2k4a s VAL 89 Cb -0.14 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 2k4a s VAL 89 CO 0.03 -0.25 0.14 -0.47 -3.33 0.00 0.00 175.10 171.22 2k4a s TYR 90 N 2.46 3.51 0.50 1.54 5.04 0.33 -2.68 117.35 128.06 2k4a s TYR 90 Ca 0.20 0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 55.20 2k4a s TYR 90 Cb -0.15 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.28 2k4a s TYR 90 CO 0.14 0.67 0.78 0.34 -1.34 0.00 0.00 175.55 176.13 2k4a s ASP 91 N -1.43 5.98 -0.28 4.32 2.15 -0.90 0.17 116.67 126.68 2k4a s ASP 91 Ca 0.20 0.70 0.21 0.00 0.43 0.00 0.00 52.55 54.09 2k4a s ASP 91 Cb -0.12 -1.93 0.49 0.00 -0.30 0.00 0.00 42.92 41.06 2k4a s ASP 91 CO 0.10 -0.73 1.06 0.33 -0.17 0.00 0.00 175.17 175.76 2k4a n PHE 92 N -2.28 1.26 -0.38 -5.34 7.35 0.34 -4.61 117.46 113.81 2k4a n PHE 92 Ca 0.01 -2.38 0.31 0.00 -0.76 0.00 0.00 57.45 54.64 2k4a n PHE 92 Cb 0.56 -0.28 0.57 0.00 0.35 0.00 0.00 39.48 40.68 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 2.74 0.36 0.00 -2.13 2.03 -1.91 -3.43 116.42 114.08 2k4a h ASP 93 Ca -0.11 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2k4a h ASP 93 Cb 1.24 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 2k4a h ASP 93 CO 0.31 -0.19 0.00 0.54 -1.03 0.00 0.00 179.24 178.87 2k4a n ARG 94 N -4.90 0.00 0.13 4.15 3.00 -1.26 -4.88 116.66 112.90 2k4a n ARG 94 Ca 0.35 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.63 2k4a n ARG 94 Cb 1.22 -3.61 0.00 0.00 0.00 0.00 0.00 32.46 30.07 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k4a n PHE 95 N -2.93 -2.21 -2.44 -1.55 -0.00 -1.26 -5.13 117.46 101.94 2k4a n PHE 95 Ca 0.00 0.39 -0.12 0.00 -0.00 0.00 0.00 57.45 57.72 2k4a n PHE 95 Cb 0.01 0.52 0.06 0.00 -0.00 0.00 0.00 39.48 40.07 2k4a n PHE 95 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2k4a n SER 96 N -3.46 0.72 -4.56 -2.13 7.64 -1.26 -4.98 113.62 105.58 2k4a n SER 96 Ca 0.00 -1.61 -0.40 0.00 1.01 0.00 0.00 58.87 57.87 2k4a n SER 96 Cb 0.00 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4a s LYS 97 N -3.82 2.91 -0.36 1.43 -0.14 -1.26 -4.90 119.74 113.60 2k4a s LYS 97 Ca 0.35 0.63 -0.43 0.00 -1.36 0.00 0.00 55.97 55.15 2k4a s LYS 97 Cb -0.02 -4.29 -0.18 0.00 -1.68 0.00 0.00 37.83 31.66 2k4a s LYS 97 CO 0.23 -2.40 1.62 0.72 -0.76 0.00 0.00 175.35 174.77 2k4a n HIS 98 N 11.48 1.81 -4.00 3.18 8.25 -1.26 -4.93 115.22 129.75 2k4a n HIS 98 Ca 0.18 0.87 -0.22 0.00 -0.26 0.00 0.00 57.72 58.29 2k4a n HIS 98 Cb 0.50 -2.32 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 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 2.97 6.11 -0.87 0.41 2.15 -1.26 -4.86 116.67 121.32 2k4a s ASP 99 Ca 1.01 -0.00 -0.19 0.00 0.43 0.00 0.00 52.55 53.80 2k4a s ASP 99 Cb -1.29 -1.75 0.13 0.00 -0.30 0.00 0.00 42.92 39.71 2k4a s ASP 99 CO 0.73 -0.05 1.05 -0.63 -0.17 0.00 0.00 175.17 176.10 2k4a s ILE 100 N -1.99 4.75 0.57 4.11 1.01 -1.26 -2.13 121.20 126.27 2k4a s ILE 100 Ca 0.34 -1.47 0.28 0.00 0.00 0.00 0.00 60.65 59.80 2k4a s ILE 100 Cb -0.09 -4.73 0.39 0.00 0.01 0.00 0.00 42.46 38.04 2k4a s ILE 100 CO 0.28 -1.44 1.95 0.16 0.00 0.00 0.00 174.94 175.88 2k4a h ILE 101 N 5.78 0.48 0.00 2.92 -2.65 -1.86 -3.42 117.51 118.76 2k4a h ILE 101 Ca 0.07 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.96 2k4a h ILE 101 Cb 1.03 0.67 0.00 0.00 -2.05 0.00 0.00 36.82 36.47 2k4a h ILE 101 CO 1.09 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.88 2k4a n GLY 102 N -1.54 -0.91 3.82 0.16 0.00 -1.23 -4.20 105.19 101.30 2k4a n GLY 102 Ca 0.09 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 2k4a n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4a s GLU 103 N -2.00 1.52 0.04 1.61 -1.05 0.19 0.21 118.70 119.22 2k4a s GLU 103 Ca 0.00 -0.92 -0.22 0.00 -0.15 0.00 0.00 54.97 53.68 2k4a s GLU 103 Cb 0.00 0.47 0.05 0.00 -0.44 0.00 0.00 34.13 34.21 2k4a s GLU 103 CO 0.00 -0.71 0.51 -0.59 0.95 0.00 0.00 175.26 175.43 2k4a s PHE 104 N -2.81 -0.41 0.17 4.83 -0.12 0.21 -2.54 117.98 117.30 2k4a s PHE 104 Ca 0.16 0.47 -0.17 0.00 -0.05 0.00 0.00 56.93 57.34 2k4a s PHE 104 Cb -0.03 0.33 0.03 0.00 -0.63 0.00 0.00 43.02 42.72 2k4a s PHE 104 CO 0.06 -0.63 0.48 -1.59 -0.05 0.00 0.00 175.22 173.49 2k4a s LYS 105 N -2.37 1.25 -0.19 1.99 0.00 -1.26 0.10 119.74 119.27 2k4a s LYS 105 Ca -0.06 -0.77 -0.15 0.00 0.00 0.00 0.00 55.97 54.99 2k4a s LYS 105 Cb -0.01 0.51 0.05 0.00 0.00 0.00 0.00 37.83 38.38 2k4a s LYS 105 CO -0.01 -0.52 0.48 0.54 0.00 0.00 0.00 175.35 175.84 2k4a s VAL 106 N -3.84 -0.01 -0.53 1.79 0.11 -1.18 -5.04 120.40 111.69 2k4a s VAL 106 Ca 0.06 0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 2k4a s VAL 106 Cb 0.00 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 2k4a s VAL 106 CO -0.07 0.01 2.14 -2.16 -3.33 0.00 0.00 175.10 171.69 2k4a s PRO 107 N 0.68 2.39 0.34 1.54 0.04 -1.26 -3.82 135.00 134.91 2k4a s PRO 107 Ca -0.03 1.07 0.11 0.00 0.04 0.00 0.00 61.00 62.18 2k4a s PRO 107 Cb -0.05 -4.48 0.90 0.00 0.04 0.00 0.00 34.50 30.91 2k4a s PRO 107 CO -0.05 -2.97 1.75 0.52 0.04 0.00 0.00 177.00 176.30 2k4a h MET 108 N 17.24 0.56 -0.83 4.56 2.86 -1.81 0.18 114.93 137.68 2k4a h MET 108 Ca -0.26 -0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.52 2k4a h MET 108 Cb 1.22 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 2k4a h MET 108 CO 1.18 0.37 0.55 -0.97 1.06 0.00 0.00 176.91 179.10 2k4a h ASN 109 N 0.58 0.44 0.53 1.22 -1.24 -1.69 0.73 115.58 116.15 2k4a h ASN 109 Ca 0.61 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.66 2k4a h ASN 109 Cb 1.21 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.20 2k4a h ASN 109 CO -0.40 0.21 -0.14 0.41 -1.29 0.00 0.00 177.43 176.21 2k4a n THR 110 N -4.50 0.00 -3.06 -3.57 -1.04 0.61 -4.55 114.28 98.17 2k4a n THR 110 Ca 0.17 -0.03 -0.45 0.00 -2.04 0.00 0.00 64.05 61.70 2k4a n THR 110 Cb 0.59 -0.15 -0.01 0.00 -1.82 0.00 0.00 70.33 68.93 2k4a n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k4a s VAL 111 N -2.68 5.15 -0.60 12.58 1.01 0.25 -4.97 120.40 131.14 2k4a s VAL 111 Ca 0.23 -2.31 -0.26 0.00 0.00 0.00 0.00 61.98 59.64 2k4a s VAL 111 Cb 0.19 -4.74 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 2k4a s VAL 111 CO 0.52 -1.42 2.23 1.51 0.00 0.00 0.00 175.10 177.95 2k4a s ASP 112 N 2.82 4.62 -0.73 3.32 -4.77 -1.26 -4.83 116.67 115.84 2k4a s ASP 112 Ca 0.33 0.60 -0.16 0.00 -3.30 0.00 0.00 52.55 50.02 2k4a s ASP 112 Cb -0.06 -2.52 -0.13 0.00 -1.09 0.00 0.00 42.92 39.12 2k4a s ASP 112 CO -0.06 -2.89 1.91 2.22 0.70 0.00 0.00 175.17 177.05 2k4a n PHE 113 N 15.37 1.49 -0.03 2.11 -1.74 -1.26 -4.56 117.46 128.84 2k4a n PHE 113 Ca 0.34 -1.70 -0.16 0.00 -0.56 0.00 0.00 57.45 55.36 2k4a n PHE 113 Cb 0.52 -1.57 -0.07 0.00 1.52 0.00 0.00 39.48 39.87 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 12.09 0.76 0.00 4.97 0.00 -1.99 -3.47 103.07 115.42 2k4a h GLY 114 Ca 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2k4a h GLY 114 CO 1.75 0.92 0.00 1.42 0.00 0.00 0.00 176.54 180.63 2k4a n HIS 115 N -4.08 -0.16 -3.76 5.60 8.25 -1.26 -5.10 115.22 114.70 2k4a n HIS 115 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 2k4a n HIS 115 Cb 0.66 0.06 -0.15 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 -0.13 -0.05 -0.78 1.59 -7.23 -1.26 -3.94 120.40 108.61 2k4a s VAL 116 Ca 0.00 0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.19 2k4a s VAL 116 Cb 0.00 -0.19 0.17 0.00 0.56 0.00 0.00 36.38 36.92 2k4a s VAL 116 CO 0.00 0.07 0.81 -0.89 -0.31 0.00 0.00 175.10 174.78 2k4a s THR 117 N 1.07 5.24 -0.13 5.32 2.01 0.66 -4.89 115.64 124.93 2k4a s THR 117 Ca -0.08 -1.93 -0.02 0.00 0.31 0.00 0.00 61.69 59.96 2k4a s THR 117 Cb -0.11 -4.53 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2k4a s THR 117 CO -0.05 -1.14 -0.04 -1.61 -0.69 0.00 0.00 174.62 171.09 2k4a s GLU 118 N 1.30 3.40 -0.01 4.92 2.02 -1.26 0.52 118.70 129.59 2k4a s GLU 118 Ca 0.19 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 2k4a s GLU 118 Cb -0.13 -2.82 0.10 0.00 0.10 0.00 0.00 34.13 31.38 2k4a s GLU 118 CO -0.05 0.37 1.01 -1.83 0.02 0.00 0.00 175.26 174.78 2k4a s GLU 119 N -0.01 0.76 -1.09 1.61 -1.05 -0.45 -4.99 118.70 113.48 2k4a s GLU 119 Ca 0.01 -0.34 -0.14 0.00 -0.15 0.00 0.00 54.97 54.35 2k4a s GLU 119 Cb -0.13 0.31 0.19 0.00 -0.44 0.00 0.00 34.13 34.06 2k4a s GLU 119 CO 0.03 -0.34 1.22 -1.58 0.95 0.00 0.00 175.26 175.54 2k4a s TRP 120 N -2.94 3.64 0.28 4.83 0.23 -1.26 -2.18 118.94 121.54 2k4a s TRP 120 Ca 0.09 -2.10 -0.30 0.00 -2.03 0.00 0.00 56.10 51.75 2k4a s TRP 120 Cb -0.00 -4.14 -0.11 0.00 0.03 0.00 0.00 33.47 29.25 2k4a s TRP 120 CO -0.05 -1.26 1.49 0.50 0.96 0.00 0.00 176.95 178.59 2k4a s ARG 121 N 0.96 4.21 0.13 4.98 6.06 0.51 -4.81 118.95 130.99 2k4a s ARG 121 Ca 0.35 2.41 -0.23 0.00 -2.50 0.00 0.00 55.73 55.76 2k4a s ARG 121 Cb -0.06 -3.07 -0.07 0.00 0.06 0.00 0.00 34.95 31.81 2k4a s ARG 121 CO -0.05 -0.49 0.71 0.16 -2.50 0.00 0.00 175.30 173.13 2k4a s ASP 122 N 0.34 7.27 -0.11 -2.12 -4.77 -1.26 0.11 116.67 116.13 2k4a s ASP 122 Ca 0.60 1.51 -0.05 0.00 -3.30 0.00 0.00 52.55 51.31 2k4a s ASP 122 Cb -0.44 -2.45 -0.04 0.00 -1.09 0.00 0.00 42.92 38.90 2k4a s ASP 122 CO 0.47 0.21 0.06 -0.76 0.70 0.00 0.00 175.17 175.85 2k4a s LEU 123 N -1.03 3.90 0.01 2.11 1.43 0.12 -4.80 118.68 120.42 2k4a s LEU 123 Ca 0.34 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.74 2k4a s LEU 123 Cb -0.22 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2k4a s LEU 123 CO 0.24 0.36 -0.17 0.00 0.23 0.00 0.00 176.35 177.00 2k4a s GLN 124 N -0.73 1.29 -1.00 1.70 -2.07 -1.05 0.23 119.66 118.02 2k4a s GLN 124 Ca 0.12 -0.72 -0.21 0.00 -1.82 0.00 0.00 55.36 52.72 2k4a s GLN 124 Cb -0.12 -1.30 0.08 0.00 -1.09 0.00 0.00 33.01 30.58 2k4a s GLN 124 CO 0.03 0.34 1.35 -1.54 -1.32 0.00 0.00 175.29 174.15 2k4a s SER 125 N -0.75 6.56 -0.57 12.60 1.04 -1.25 0.56 113.70 131.89 2k4a s SER 125 Ca 0.06 -1.70 -0.28 0.00 0.48 0.00 0.00 55.95 54.51 2k4a s SER 125 Cb -0.07 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.55 2k4a s SER 125 CO 0.00 -1.34 1.36 0.00 0.98 0.00 0.00 173.24 174.24 2k4a s ALA 126 N 4.14 2.86 -0.24 5.32 0.00 -1.26 -4.60 121.76 127.97 2k4a s ALA 126 Ca 0.42 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2k4a s ALA 126 Cb -0.02 -4.09 -0.06 0.00 0.00 0.00 0.00 23.12 18.96 2k4a s ALA 126 CO -0.09 -2.86 2.22 0.39 0.00 0.00 0.00 175.76 175.42 2k4a n GLU 127 N 8.61 1.80 0.00 0.00 1.02 -1.26 -4.73 120.64 126.08 2k4a n GLU 127 Ca 0.11 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2k4a n GLU 127 Cb 0.49 -3.10 0.00 0.00 -0.02 0.00 0.00 31.44 28.81 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94