#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 2.10 0.28 2.98 -2.85 -1.23 -4.31 119.74 116.71 2k4a s LYS 2 Ca 0.00 1.07 0.03 0.00 -1.00 0.00 0.00 55.97 56.07 2k4a s LYS 2 Cb 0.00 -4.61 -0.01 0.00 -2.06 0.00 0.00 37.83 31.15 2k4a s LYS 2 CO 0.00 -3.40 0.31 1.63 0.10 0.00 0.00 175.35 173.99 2k4a n LYS 3 N 9.00 0.45 -0.10 1.78 5.02 -1.22 -5.09 118.16 128.01 2k4a n LYS 3 Ca 0.36 -2.56 -0.04 0.00 -2.02 0.00 0.00 58.31 54.04 2k4a n LYS 3 Cb 0.52 2.26 -0.01 0.00 -0.02 0.00 0.00 35.03 37.78 2k4a n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2k4a n PRO 4 N -0.50 0.00 -3.66 1.97 -0.02 -1.26 -4.20 135.00 127.33 2k4a n PRO 4 Ca 0.04 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.15 2k4a n PRO 4 Cb 0.49 -0.10 -0.07 0.00 -0.02 0.00 0.00 33.50 33.81 2k4a n PRO 4 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2k4a s LYS 5 N 0.29 3.91 -0.09 -0.52 -0.14 0.43 -4.00 119.74 119.61 2k4a s LYS 5 Ca 0.07 0.06 -0.04 0.00 -1.36 0.00 0.00 55.97 54.71 2k4a s LYS 5 Cb -0.10 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.71 2k4a s LYS 5 CO 0.05 0.52 0.06 -1.17 -0.76 0.00 0.00 175.35 174.05 2k4a s LEU 6 N -0.38 3.92 -0.04 3.17 0.20 -1.19 -0.99 118.68 123.37 2k4a s LEU 6 Ca 0.17 0.27 0.02 0.00 0.69 0.00 0.00 54.13 55.28 2k4a s LEU 6 Cb -0.13 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.69 2k4a s LEU 6 CO 0.05 0.38 -0.08 -0.22 -0.29 0.00 0.00 176.35 176.20 2k4a s LEU 7 N -1.02 1.55 0.01 -0.68 2.96 -1.26 0.11 118.68 120.36 2k4a s LEU 7 Ca 0.15 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2k4a s LEU 7 Cb -0.12 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.00 2k4a s LEU 7 CO 0.04 0.00 0.17 -0.47 -1.32 0.00 0.00 176.35 174.77 2k4a s TYR 8 N 0.63 0.02 0.18 5.38 5.04 -0.65 -2.40 117.35 125.55 2k4a s TYR 8 Ca -0.10 -0.12 -0.12 0.00 -2.44 0.00 0.00 57.07 54.29 2k4a s TYR 8 Cb -0.13 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.15 2k4a s TYR 8 CO 0.01 -0.32 0.38 0.00 -1.34 0.00 0.00 175.55 174.28 2k4a n SER 10 N -0.27 -1.85 -2.34 0.00 2.88 -1.26 -4.70 113.62 106.09 2k4a n SER 10 Ca -0.08 0.69 -0.30 0.00 -1.33 0.00 0.00 58.87 57.86 2k4a n SER 10 Cb 0.63 -3.07 -0.07 0.00 -0.75 0.00 0.00 64.21 60.95 2k4a n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k4a n ASN 11 N 0.84 0.34 0.00 -3.46 2.85 -1.26 -4.68 115.26 109.89 2k4a n ASN 11 Ca -0.18 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2k4a n ASN 11 Cb 0.27 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 40.81 2k4a n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k4a n GLY 12 N 3.91 1.31 1.83 8.20 0.00 -1.26 -5.06 105.19 114.12 2k4a n GLY 12 Ca 0.31 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 2k4a n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 13 N 0.00 -0.26 3.31 -0.02 0.00 -1.26 -4.86 105.19 102.11 2k4a n GLY 13 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 2k4a n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4a s HIS 14 N 4.59 -1.12 -0.03 1.61 3.76 -1.26 -4.37 115.29 118.46 2k4a s HIS 14 Ca 0.71 1.71 -0.01 0.00 -0.15 0.00 0.00 55.06 57.32 2k4a s HIS 14 Cb -0.65 0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 2k4a s HIS 14 CO 0.26 -0.65 0.06 -0.06 -0.85 0.00 0.00 174.74 173.50 2k4a s PHE 15 N 2.74 3.27 -0.44 1.40 0.08 0.30 -4.28 117.98 121.06 2k4a s PHE 15 Ca 0.03 0.22 -0.27 0.00 0.12 0.00 0.00 56.93 57.03 2k4a s PHE 15 Cb -0.13 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2k4a s PHE 15 CO -0.17 0.54 1.91 -1.17 -0.10 0.00 0.00 175.22 176.23 2k4a s LEU 16 N -1.48 3.42 -0.47 -0.37 2.96 -1.01 0.52 118.68 122.25 2k4a s LEU 16 Ca 0.20 0.98 -0.19 0.00 -0.22 0.00 0.00 54.13 54.90 2k4a s LEU 16 Cb -0.12 -3.07 0.04 0.00 0.50 0.00 0.00 46.19 43.55 2k4a s LEU 16 CO 0.10 -2.08 0.59 -0.60 -1.32 0.00 0.00 176.35 173.04 2k4a s ARG 17 N 6.45 3.15 0.31 1.98 3.52 0.55 -4.13 118.95 130.78 2k4a s ARG 17 Ca 0.78 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 55.51 2k4a s ARG 17 Cb -0.19 -4.04 -0.08 0.00 -1.56 0.00 0.00 34.95 29.08 2k4a s ARG 17 CO 0.28 -1.10 0.67 0.96 -0.81 0.00 0.00 175.30 175.31 2k4a s ILE 18 N 2.56 4.81 -0.07 4.11 -4.36 0.38 -1.99 121.20 126.64 2k4a s ILE 18 Ca 0.16 0.65 -0.05 0.00 -0.26 0.00 0.00 60.65 61.15 2k4a s ILE 18 Cb -0.18 -3.65 0.03 0.00 1.25 0.00 0.00 42.46 39.91 2k4a s ILE 18 CO 0.14 -0.25 0.18 -0.76 0.24 0.00 0.00 174.94 174.49 2k4a s LEU 19 N -3.20 1.02 0.50 0.37 1.02 -1.26 -4.79 118.68 112.34 2k4a s LEU 19 Ca 0.51 0.37 0.32 0.00 0.02 0.00 0.00 54.13 55.34 2k4a s LEU 19 Cb -0.11 0.56 1.43 0.00 0.02 0.00 0.00 46.19 48.10 2k4a s LEU 19 CO 0.23 -0.10 1.77 1.55 0.02 0.00 0.00 176.35 179.82 2k4a h PRO 20 N 6.44 0.11 -0.73 1.29 0.13 -1.88 -0.50 132.00 136.86 2k4a h PRO 20 Ca -0.32 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.95 2k4a h PRO 20 Cb 1.18 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 2k4a h PRO 20 CO 0.40 0.07 0.23 0.22 -0.23 0.00 0.00 178.00 178.70 2k4a h ASP 21 N 0.11 0.14 0.00 1.44 1.82 -1.96 -3.42 116.42 114.55 2k4a h ASP 21 Ca 0.61 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.38 2k4a h ASP 21 Cb 2.16 0.14 0.00 0.00 0.68 0.00 0.00 39.33 42.31 2k4a h ASP 21 CO -0.12 0.03 0.00 0.61 -1.61 0.00 0.00 179.24 178.15 2k4a n GLY 22 N -1.33 2.06 3.52 -0.78 0.00 -0.20 -4.90 105.19 103.55 2k4a n GLY 22 Ca 0.14 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2k4a n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4a s THR 23 N -0.31 3.91 -0.07 2.61 2.01 -1.26 -3.67 115.64 118.85 2k4a s THR 23 Ca 0.00 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 2k4a s THR 23 Cb 0.00 -4.85 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 2k4a s THR 23 CO 0.00 -1.74 0.21 0.54 -0.69 0.00 0.00 174.62 172.94 2k4a s VAL 24 N 5.22 5.39 0.29 3.82 0.11 -1.26 -4.49 120.40 129.46 2k4a s VAL 24 Ca 0.31 0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.69 2k4a s VAL 24 Cb -0.10 -3.49 -0.06 0.00 -1.53 0.00 0.00 36.38 31.20 2k4a s VAL 24 CO 0.13 0.56 0.08 1.51 -3.33 0.00 0.00 175.10 174.06 2k4a s ASP 25 N -1.17 1.65 -1.14 3.54 1.47 -0.84 -4.11 116.67 116.06 2k4a s ASP 25 Ca 0.19 -1.39 -0.09 0.00 1.18 0.00 0.00 52.55 52.44 2k4a s ASP 25 Cb -0.13 0.08 0.26 0.00 -0.34 0.00 0.00 42.92 42.79 2k4a s ASP 25 CO 0.08 -0.69 1.36 0.61 0.68 0.00 0.00 175.17 177.21 2k4a n GLY 26 N -0.55 4.38 3.74 2.12 0.00 -1.25 0.21 105.19 113.83 2k4a n GLY 26 Ca -0.01 -2.45 -0.41 0.00 0.00 0.00 0.00 46.02 43.15 2k4a n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4a s THR 27 N -0.99 3.64 -0.64 2.61 2.01 0.18 -4.28 115.64 118.18 2k4a s THR 27 Ca 0.34 1.47 -0.04 0.00 0.31 0.00 0.00 61.69 63.77 2k4a s THR 27 Cb -0.03 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.61 2k4a s THR 27 CO -0.01 0.28 2.70 -2.11 -0.69 0.00 0.00 174.62 174.80 2k4a n ARG 28 N 2.03 2.89 -3.99 4.92 1.85 -1.26 0.11 116.66 123.21 2k4a n ARG 28 Ca 0.02 -2.57 -0.11 0.00 -1.00 0.00 0.00 57.85 54.19 2k4a n ARG 28 Cb 0.45 -2.25 -0.12 0.00 -1.05 0.00 0.00 32.46 29.49 2k4a n ARG 28 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2k4a s ASP 29 N 0.39 0.35 0.00 2.89 2.15 -1.26 -4.92 116.67 116.27 2k4a s ASP 29 Ca 0.58 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.18 2k4a s ASP 29 Cb 0.34 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2k4a s ASP 29 CO -0.19 -0.19 0.83 -2.11 -0.17 0.00 0.00 175.17 173.34 2k4a n ARG 30 N 1.96 1.97 -0.01 4.34 -4.01 -1.26 -4.73 116.66 114.92 2k4a n ARG 30 Ca -0.21 -1.17 -0.19 0.00 -1.04 0.00 0.00 57.85 55.24 2k4a n ARG 30 Cb 0.56 -0.89 -0.14 0.00 -3.04 0.00 0.00 32.46 28.96 2k4a n ARG 30 CO 0.00 0.00 0.00 0.77 -3.04 0.00 0.00 177.63 175.36 2k4a h SER 31 N 0.00 0.27 -3.15 2.89 0.02 -2.01 -3.44 113.55 108.13 2k4a h SER 31 Ca 0.00 -0.90 -0.57 0.00 -0.84 0.00 0.00 61.79 59.47 2k4a h SER 31 Cb 0.55 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 2k4a h SER 31 CO 0.00 1.34 0.85 -0.62 -1.14 0.00 0.00 176.83 177.26 2k4a s ASP 32 N -6.75 6.96 -0.79 3.07 2.15 -1.26 -4.92 116.67 115.14 2k4a s ASP 32 Ca -0.18 1.29 -0.10 0.00 0.43 0.00 0.00 52.55 53.99 2k4a s ASP 32 Cb 0.01 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2k4a s ASP 32 CO 0.75 -0.81 1.96 0.00 -0.17 0.00 0.00 175.17 176.90 2k4a n GLN 33 N 6.68 1.73 -0.14 4.34 6.02 -1.26 -4.04 117.38 130.71 2k4a n GLN 33 Ca 0.13 -1.48 0.03 0.00 -0.01 0.00 0.00 57.00 55.67 2k4a n GLN 33 Cb 0.46 -2.54 0.05 0.00 1.02 0.00 0.00 30.24 29.23 2k4a n GLN 33 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k4a n HIS 34 N 5.25 0.00 -2.38 1.08 8.25 -1.26 -4.77 115.22 121.39 2k4a n HIS 34 Ca 0.42 -0.47 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2k4a n HIS 34 Cb 0.20 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.24 2k4a n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k4a n ILE 35 N -0.62 2.24 -3.84 1.59 -0.00 -1.26 0.14 119.36 117.62 2k4a n ILE 35 Ca 0.05 -4.48 -0.28 0.00 -0.00 0.00 0.00 62.75 58.04 2k4a n ILE 35 Cb 0.53 -0.95 -0.16 0.00 -0.00 0.00 0.00 39.64 39.06 2k4a n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k4a s GLN 36 N -3.53 1.14 0.07 6.28 -2.07 -1.26 -4.40 119.66 115.88 2k4a s GLN 36 Ca 0.46 -0.57 0.09 0.00 -1.82 0.00 0.00 55.36 53.52 2k4a s GLN 36 Cb 0.40 -2.14 -0.03 0.00 -1.09 0.00 0.00 33.01 30.15 2k4a s GLN 36 CO -0.10 -0.55 -0.26 -0.48 -1.32 0.00 0.00 175.29 172.59 2k4a s LEU 37 N 1.68 2.21 -0.67 2.60 0.05 -0.16 -4.54 118.68 119.85 2k4a s LEU 37 Ca -0.01 -0.62 -0.05 0.00 0.05 0.00 0.00 54.13 53.50 2k4a s LEU 37 Cb -0.17 -1.22 0.02 0.00 -2.05 0.00 0.00 46.19 42.77 2k4a s LEU 37 CO -0.07 0.22 2.81 1.67 -0.55 0.00 0.00 176.35 180.43 2k4a n GLN 38 N 1.57 2.96 -1.56 1.48 0.00 0.40 0.16 117.38 122.39 2k4a n GLN 38 Ca -0.17 -2.42 -0.55 0.00 -0.00 0.00 0.00 57.00 53.86 2k4a n GLN 38 Cb 0.52 -2.28 -0.08 0.00 0.00 0.00 0.00 30.24 28.41 2k4a n GLN 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2k4a n LEU 39 N 1.46 2.17 -3.84 1.69 7.94 -1.26 -4.39 117.00 120.77 2k4a n LEU 39 Ca 0.53 0.77 -0.11 0.00 -1.11 0.00 0.00 56.01 56.09 2k4a n LEU 39 Cb 0.51 -1.17 -0.09 0.00 0.53 0.00 0.00 43.42 43.20 2k4a n LEU 39 CO 0.41 -0.56 -0.11 -0.44 -1.11 0.00 0.00 177.39 175.59 2k4a s SER 40 N 5.31 -0.00 -0.24 1.96 0.01 -1.01 -4.93 113.70 114.80 2k4a s SER 40 Ca 1.05 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 57.85 2k4a s SER 40 Cb -1.02 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 2k4a s SER 40 CO 0.59 -0.47 0.74 0.00 0.41 0.00 0.00 173.24 174.51 2k4a s ALA 41 N -1.91 3.62 -0.17 1.44 0.00 -1.26 0.97 121.76 124.44 2k4a s ALA 41 Ca -0.10 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 2k4a s ALA 41 Cb -0.04 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 2k4a s ALA 41 CO -0.00 -0.83 -0.13 0.39 0.00 0.00 0.00 175.76 175.19 2k4a n GLU 42 N 5.75 0.50 -2.22 0.00 -0.58 0.34 -4.94 120.64 119.50 2k4a n GLU 42 Ca 0.03 0.47 -0.09 0.00 -0.42 0.00 0.00 57.16 57.15 2k4a n GLU 42 Cb 0.48 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2k4a n GLU 42 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2k4a n SER 43 N -4.52 1.47 -4.57 1.62 7.64 -1.15 -4.96 113.62 109.15 2k4a n SER 43 Ca -0.18 -1.65 -0.39 0.00 1.01 0.00 0.00 58.87 57.66 2k4a n SER 43 Cb 0.46 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 2k4a n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k4a s VAL 44 N -0.85 3.07 0.00 0.44 0.11 -1.26 -1.69 120.40 120.22 2k4a s VAL 44 Ca 0.13 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2k4a s VAL 44 Cb -0.01 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 2k4a s VAL 44 CO 0.08 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2k4a n GLY 45 N 5.86 1.58 3.58 6.54 0.00 -1.26 -4.97 105.19 116.51 2k4a n GLY 45 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2k4a n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4a s GLU 46 N -0.09 3.73 -0.16 1.61 2.02 -0.68 0.15 118.70 125.28 2k4a s GLU 46 Ca 0.00 0.25 -0.04 0.00 0.02 0.00 0.00 54.97 55.20 2k4a s GLU 46 Cb 0.00 -3.81 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2k4a s GLU 46 CO 0.00 -0.83 -0.04 0.14 0.02 0.00 0.00 175.26 174.56 2k4a s VAL 47 N 3.02 3.85 -0.25 2.63 -7.23 0.36 0.13 120.40 122.90 2k4a s VAL 47 Ca 0.30 -0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 60.01 2k4a s VAL 47 Cb -0.13 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2k4a s VAL 47 CO 0.16 0.48 0.11 -0.31 -0.31 0.00 0.00 175.10 175.24 2k4a s TYR 48 N 0.47 3.15 -1.25 2.82 1.51 0.27 -2.81 117.35 121.52 2k4a s TYR 48 Ca -0.03 -0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 55.73 2k4a s TYR 48 Cb -0.14 -2.27 0.16 0.00 -0.11 0.00 0.00 41.96 39.59 2k4a s TYR 48 CO 0.03 -0.23 1.63 -0.89 -1.11 0.00 0.00 175.55 174.98 2k4a n ILE 49 N 4.80 4.23 -4.46 2.71 -0.00 -1.26 -2.40 119.36 122.98 2k4a n ILE 49 Ca -0.15 -4.51 -0.33 0.00 -0.00 0.00 0.00 62.75 57.76 2k4a n ILE 49 Cb 0.52 -2.43 -0.10 0.00 -0.00 0.00 0.00 39.64 37.63 2k4a n ILE 49 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 2k4a s LYS 50 N 1.48 2.72 0.15 0.38 -2.85 -1.26 -4.26 119.74 116.10 2k4a s LYS 50 Ca 0.43 -0.60 -0.20 0.00 -1.00 0.00 0.00 55.97 54.60 2k4a s LYS 50 Cb 0.02 -2.60 -0.07 0.00 -2.06 0.00 0.00 37.83 33.11 2k4a s LYS 50 CO 0.01 0.64 0.65 -1.12 0.10 0.00 0.00 175.35 175.63 2k4a s SER 51 N -1.19 7.10 0.00 0.03 0.01 -1.12 0.15 113.70 118.68 2k4a s SER 51 Ca 0.16 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2k4a s SER 51 Cb -0.11 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2k4a s SER 51 CO 0.06 0.17 0.00 0.35 0.41 0.00 0.00 173.24 174.22 2k4a n THR 52 N 1.28 0.00 0.00 1.44 -2.24 -1.26 -4.69 114.28 108.81 2k4a n THR 52 Ca -0.06 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 2k4a n THR 52 Cb 0.51 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 2k4a n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k4a n GLU 53 N -1.94 0.00 -1.80 -0.78 4.71 -1.26 -4.78 120.64 114.79 2k4a n GLU 53 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 2k4a n GLU 53 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 31.44 30.28 2k4a n GLU 53 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2k4a n THR 54 N -1.80 3.52 -3.47 2.62 -1.04 -1.26 -4.79 114.28 108.06 2k4a n THR 54 Ca 0.00 -3.13 0.00 0.00 -2.04 0.00 0.00 64.05 58.88 2k4a n THR 54 Cb 0.00 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 65.92 2k4a n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4a n GLY 55 N 4.06 0.70 3.24 3.41 0.00 -1.26 -4.58 105.19 110.75 2k4a n GLY 55 Ca 0.51 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 2k4a n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4a s GLN 56 N -0.66 1.40 -0.31 1.61 1.03 -1.26 -4.64 119.66 116.83 2k4a s GLN 56 Ca 0.00 -1.76 -0.23 0.00 0.04 0.00 0.00 55.36 53.41 2k4a s GLN 56 Cb 0.00 0.29 0.00 0.00 0.03 0.00 0.00 33.01 33.33 2k4a s GLN 56 CO 0.00 -0.48 0.77 0.71 -2.54 0.00 0.00 175.29 173.74 2k4a s TYR 57 N -3.91 3.20 0.54 9.60 2.02 -0.48 -2.80 117.35 125.51 2k4a s TYR 57 Ca 0.39 0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 57.64 2k4a s TYR 57 Cb 0.05 -3.20 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 2k4a s TYR 57 CO 0.17 -0.57 1.25 -0.51 -1.57 0.00 0.00 175.55 174.32 2k4a s LEU 58 N 2.92 3.83 -0.29 -1.29 1.02 -1.26 0.13 118.68 123.74 2k4a s LEU 58 Ca 0.31 2.49 0.01 0.00 0.02 0.00 0.00 54.13 56.97 2k4a s LEU 58 Cb -0.14 -4.38 0.19 0.00 0.02 0.00 0.00 46.19 41.88 2k4a s LEU 58 CO 0.13 -1.38 0.58 0.00 0.02 0.00 0.00 176.35 175.69 2k4a s ALA 59 N -1.48 -2.21 0.10 4.21 0.00 0.35 -4.03 121.76 118.70 2k4a s ALA 59 Ca 0.71 1.47 -0.24 0.00 0.00 0.00 0.00 51.96 53.90 2k4a s ALA 59 Cb -0.33 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.45 2k4a s ALA 59 CO 0.39 -1.51 0.74 -1.64 0.00 0.00 0.00 175.76 173.74 2k4a s MET 60 N 2.82 4.49 -1.25 0.00 -1.94 -1.25 -3.26 119.30 118.91 2k4a s MET 60 Ca 0.16 1.06 -0.18 0.00 -1.71 0.00 0.00 55.69 55.02 2k4a s MET 60 Cb -0.13 -3.31 0.08 0.00 2.01 0.00 0.00 34.83 33.48 2k4a s MET 60 CO -0.23 0.44 1.66 0.34 -0.01 0.00 0.00 175.02 177.23 2k4a s ASP 61 N -0.61 6.83 -1.40 3.03 2.15 0.23 -4.13 116.67 122.76 2k4a s ASP 61 Ca 0.36 -2.41 -0.07 0.00 0.43 0.00 0.00 52.55 50.86 2k4a s ASP 61 Cb -0.21 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2k4a s ASP 61 CO 0.24 -1.15 0.89 0.35 -0.17 0.00 0.00 175.17 175.33 2k4a n THR 62 N 6.22 -3.40 0.00 1.71 -2.24 -1.26 -2.38 114.28 112.93 2k4a n THR 62 Ca 0.45 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2k4a n THR 62 Cb 0.46 -3.50 0.00 0.00 -2.10 0.00 0.00 70.33 65.19 2k4a n THR 62 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k4a n ASP 63 N -2.97 0.00 -0.09 3.42 -0.08 -1.26 -4.68 116.55 110.90 2k4a n ASP 63 Ca -0.12 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.13 2k4a n ASP 63 Cb 0.60 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.04 2k4a n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k4a n GLY 64 N 0.00 -1.96 3.36 0.27 0.00 -1.00 -3.49 105.19 102.38 2k4a n GLY 64 Ca 0.00 0.51 -0.44 0.00 0.00 0.00 0.00 46.02 46.09 2k4a n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4a s LEU 65 N -6.66 5.55 -0.49 0.99 1.02 -1.12 -2.05 118.68 115.91 2k4a s LEU 65 Ca -0.02 -1.37 -0.25 0.00 0.02 0.00 0.00 54.13 52.51 2k4a s LEU 65 Cb 0.02 -2.15 0.03 0.00 0.02 0.00 0.00 46.19 44.12 2k4a s LEU 65 CO 0.13 -0.63 0.91 -0.76 0.02 0.00 0.00 176.35 176.02 2k4a s LEU 66 N 1.60 4.07 0.00 1.79 1.43 -0.91 0.75 118.68 127.41 2k4a s LEU 66 Ca 0.04 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2k4a s LEU 66 Cb -0.24 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 2k4a s LEU 66 CO 0.06 -1.09 0.17 0.00 0.23 0.00 0.00 176.35 175.72 2k4a n TYR 67 N 7.20 -0.50 -3.61 0.29 4.11 -1.20 -4.50 117.16 118.94 2k4a n TYR 67 Ca 0.04 -1.49 -0.06 0.00 -0.00 0.00 0.00 57.90 56.40 2k4a n TYR 67 Cb 0.48 0.18 -0.05 0.00 -0.00 0.00 0.00 39.34 39.95 2k4a n TYR 67 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2k4a s GLY 68 N -2.25 -0.06 0.00 -7.48 0.00 -1.24 0.13 107.32 96.42 2k4a s GLY 68 Ca 0.21 2.50 0.00 0.00 0.00 0.00 0.00 44.72 47.43 2k4a s GLY 68 CO 0.15 1.12 0.00 -1.26 0.00 0.00 0.00 173.10 173.11 2k4a n SER 69 N 0.70 0.00 0.00 1.64 2.88 0.34 -3.64 113.62 115.54 2k4a n SER 69 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2k4a n SER 69 Cb 0.58 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2k4a n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k4a n GLN 70 N -1.38 0.00 -2.07 -1.46 1.13 -1.25 -1.39 117.38 110.97 2k4a n GLN 70 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 2k4a n GLN 70 Cb 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 30.24 30.23 2k4a n GLN 70 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2k4a s THR 71 N -0.75 3.55 -1.38 5.09 -4.23 -1.26 -4.52 115.64 112.13 2k4a s THR 71 Ca 0.00 0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 60.92 2k4a s THR 71 Cb 0.00 -3.76 0.08 0.00 1.34 0.00 0.00 72.50 70.16 2k4a s THR 71 CO 0.00 -0.50 2.04 -0.81 -0.54 0.00 0.00 174.62 174.80 2k4a n PRO 72 N 8.40 3.12 -0.77 3.99 -0.04 -1.26 -4.54 135.00 143.91 2k4a n PRO 72 Ca 0.22 -2.99 -0.32 0.00 -0.04 0.00 0.00 63.50 60.36 2k4a n PRO 72 Cb 0.47 -3.20 0.15 0.00 -0.04 0.00 0.00 33.50 30.88 2k4a n PRO 72 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k4a n ASN 73 N 5.76 0.11 -0.09 3.54 2.85 -1.26 -4.82 115.26 121.34 2k4a n ASN 73 Ca 0.48 0.44 0.25 0.00 -0.11 0.00 0.00 54.58 55.64 2k4a n ASN 73 Cb 0.39 -1.44 0.72 0.00 1.24 0.00 0.00 39.78 40.69 2k4a n ASN 73 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2k4a h GLU 74 N -1.66 0.00 -1.31 1.20 -0.00 -1.93 0.66 114.58 111.53 2k4a h GLU 74 Ca -0.44 0.00 0.38 0.00 -0.00 0.00 0.00 59.36 59.30 2k4a h GLU 74 Cb 1.28 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.98 2k4a h GLU 74 CO 0.41 0.00 1.02 0.93 -0.00 0.00 0.00 179.01 181.37 2k4a h GLU 75 N 0.00 0.00 0.00 1.06 4.39 -1.88 0.92 114.58 119.07 2k4a h GLU 75 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2k4a h GLU 75 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2k4a h GLU 75 CO -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 2k4a s LEU 77 N -2.55 4.18 0.06 0.00 0.05 0.32 -4.12 118.68 116.62 2k4a s LEU 77 Ca 0.19 -0.01 0.09 0.00 0.05 0.00 0.00 54.13 54.44 2k4a s LEU 77 Cb 0.13 -3.03 -0.03 0.00 -2.05 0.00 0.00 46.19 41.22 2k4a s LEU 77 CO 0.29 -0.93 -0.24 -0.36 -0.55 0.00 0.00 176.35 174.57 2k4a s PHE 78 N 3.39 2.06 -0.22 3.48 0.08 -1.12 -3.28 117.98 122.37 2k4a s PHE 78 Ca 0.32 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 2k4a s PHE 78 Cb -0.12 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 2k4a s PHE 78 CO 0.23 0.15 0.53 -1.17 -0.10 0.00 0.00 175.22 174.85 2k4a s LEU 79 N -1.38 4.12 -0.02 -0.37 2.96 0.42 0.14 118.68 124.54 2k4a s LEU 79 Ca 0.10 0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 54.35 2k4a s LEU 79 Cb -0.09 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 2k4a s LEU 79 CO 0.03 -0.22 1.46 -0.70 -1.32 0.00 0.00 176.35 175.60 2k4a s GLU 80 N 1.85 4.25 -0.15 1.98 2.12 0.39 0.17 118.70 129.32 2k4a s GLU 80 Ca 0.24 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.59 2k4a s GLU 80 Cb -0.15 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.59 2k4a s GLU 80 CO 0.09 -0.66 -0.10 0.50 -0.54 0.00 0.00 175.26 174.55 2k4a s ARG 81 N 2.84 1.89 0.45 4.30 6.06 0.44 -4.92 118.95 130.02 2k4a s ARG 81 Ca 0.66 -0.48 -0.15 0.00 -2.50 0.00 0.00 55.73 53.26 2k4a s ARG 81 Cb -0.32 -1.96 -0.08 0.00 0.06 0.00 0.00 34.95 32.66 2k4a s ARG 81 CO 0.27 -0.30 0.89 -0.51 -2.50 0.00 0.00 175.30 173.15 2k4a s LEU 82 N 1.57 3.75 -0.01 -0.88 1.43 -1.26 0.40 118.68 123.68 2k4a s LEU 82 Ca 0.04 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 2k4a s LEU 82 Cb -0.13 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2k4a s LEU 82 CO -0.09 -0.47 -0.02 -0.70 0.23 0.00 0.00 176.35 175.29 2k4a s GLU 83 N -3.84 0.24 0.54 1.70 2.12 -1.11 -4.90 118.70 113.45 2k4a s GLU 83 Ca 0.56 -0.06 0.22 0.00 0.36 0.00 0.00 54.97 56.05 2k4a s GLU 83 Cb -0.10 -0.28 1.40 0.00 0.26 0.00 0.00 34.13 35.41 2k4a s GLU 83 CO 0.29 0.02 2.09 1.05 -0.54 0.00 0.00 175.26 178.16 2k4a h GLU 84 N 6.35 0.00 0.00 4.30 9.09 -1.99 -1.03 114.58 131.31 2k4a h GLU 84 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 2k4a h GLU 84 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2k4a h GLU 84 CO 0.50 0.00 0.01 -1.71 0.05 0.00 0.00 179.01 177.86 2k4a n ASN 85 N -4.35 0.00 -0.89 3.06 4.05 -1.26 -4.80 115.26 111.07 2k4a n ASN 85 Ca 0.02 0.48 0.00 0.00 0.45 0.00 0.00 54.58 55.53 2k4a n ASN 85 Cb 0.31 -0.48 0.00 0.00 1.23 0.00 0.00 39.78 40.85 2k4a n ASN 85 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 2k4a n HIS 86 N -1.48 0.00 -3.86 1.20 -0.00 -0.39 -5.10 115.22 105.58 2k4a n HIS 86 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2k4a n HIS 86 Cb 0.01 -1.63 -0.07 0.00 -0.00 0.00 0.00 29.99 28.29 2k4a n HIS 86 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k4a s TYR 87 N -2.59 0.18 -0.23 1.57 2.02 -1.22 -4.82 117.35 112.26 2k4a s TYR 87 Ca 0.00 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 2k4a s TYR 87 Cb 0.00 -0.05 -0.00 0.00 -0.40 0.00 0.00 41.96 41.51 2k4a s TYR 87 CO 0.00 -0.58 -0.03 1.21 -1.57 0.00 0.00 175.55 174.58 2k4a s ASN 88 N -2.88 4.40 -0.04 2.29 2.47 0.50 -2.75 114.94 118.94 2k4a s ASN 88 Ca 0.07 -0.49 -0.03 0.00 0.42 0.00 0.00 52.86 52.83 2k4a s ASN 88 Cb 0.04 -1.75 -0.04 0.00 -1.45 0.00 0.00 41.25 38.06 2k4a s ASN 88 CO -0.09 -0.05 0.14 -0.89 -3.72 0.00 0.00 177.10 172.49 2k4a s THR 89 N 1.46 5.24 -0.29 -5.21 2.01 0.16 -1.95 115.64 117.06 2k4a s THR 89 Ca 0.05 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.93 2k4a s THR 89 Cb -0.15 -3.39 0.08 0.00 0.01 0.00 0.00 72.50 69.06 2k4a s THR 89 CO -0.03 0.41 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.00 2k4a s TYR 90 N -1.21 2.95 -0.24 4.92 2.02 -1.26 0.17 117.35 124.71 2k4a s TYR 90 Ca 0.23 -2.32 -0.29 0.00 -0.37 0.00 0.00 57.07 54.31 2k4a s TYR 90 Cb -0.12 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 2k4a s TYR 90 CO 0.13 -0.88 1.36 0.42 -1.57 0.00 0.00 175.55 175.02 2k4a s ILE 91 N 1.19 4.09 -1.15 2.71 1.01 0.45 -4.09 121.20 125.41 2k4a s ILE 91 Ca 0.02 1.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.72 2k4a s ILE 91 Cb -0.19 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 2k4a s ILE 91 CO -0.10 -0.32 1.91 -0.24 0.00 0.00 0.00 174.94 176.19 2k4a n SER 92 N 7.43 3.37 -0.35 3.58 2.88 -1.23 0.16 113.62 129.47 2k4a n SER 92 Ca 0.15 -2.74 0.28 0.00 -1.33 0.00 0.00 58.87 55.23 2k4a n SER 92 Cb 0.46 -1.63 0.58 0.00 -0.75 0.00 0.00 64.21 62.87 2k4a n SER 92 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2k4a h LYS 93 N 8.82 0.25 -0.64 -1.46 3.64 -1.84 0.80 116.57 126.13 2k4a h LYS 93 Ca 0.31 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.83 2k4a h LYS 93 Cb 0.87 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2k4a h LYS 93 CO 1.43 0.16 0.44 -0.22 -2.27 0.00 0.00 179.45 178.99 2k4a h LYS 94 N 0.25 0.22 -0.11 1.90 1.63 -1.86 -2.93 116.57 115.68 2k4a h LYS 94 Ca 0.64 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 60.24 2k4a h LYS 94 Cb 1.89 -0.05 -0.36 0.00 -0.60 0.00 0.00 32.23 33.12 2k4a h LYS 94 CO -0.27 0.15 -1.00 0.72 -3.45 0.00 0.00 179.45 175.59 2k4a n HIS 95 N -4.43 0.34 0.28 1.91 8.25 0.23 -4.83 115.22 116.96 2k4a n HIS 95 Ca 0.12 -0.98 0.12 0.00 -0.26 0.00 0.00 57.72 56.72 2k4a n HIS 95 Cb 0.55 -0.18 0.78 0.00 1.12 0.00 0.00 29.99 32.26 2k4a n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k4a h ALA 96 N 1.37 1.68 0.00 -1.41 0.00 0.12 -0.84 119.26 120.18 2k4a h ALA 96 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k4a h ALA 96 Cb 1.68 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2k4a h ALA 96 CO 0.13 0.03 -0.02 1.05 0.00 0.00 0.00 179.25 180.44 2k4a h GLU 97 N 0.00 0.00 -0.50 0.00 -0.00 -1.85 0.19 114.58 112.42 2k4a h GLU 97 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2k4a h GLU 97 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.80 2k4a h GLU 97 CO 0.00 0.02 0.00 1.63 -0.00 0.00 0.00 179.01 180.66 2k4a n LYS 98 N -3.92 2.36 -2.10 1.06 5.02 -0.33 -4.93 118.16 115.32 2k4a n LYS 98 Ca -0.03 -2.09 -0.18 0.00 -2.02 0.00 0.00 58.31 53.99 2k4a n LYS 98 Cb 0.10 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2k4a n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k4a n ASN 99 N 1.23 -5.17 -4.75 4.39 3.02 0.67 -4.99 115.26 109.66 2k4a n ASN 99 Ca 0.20 0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.52 2k4a n ASN 99 Cb 0.52 -4.24 -0.08 0.00 -0.61 0.00 0.00 39.78 35.37 2k4a n ASN 99 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2k4a s TRP 100 N -2.82 3.25 -0.46 3.10 0.51 -1.20 -4.43 118.94 116.89 2k4a s TRP 100 Ca 0.00 0.21 0.06 0.00 -2.12 0.00 0.00 56.10 54.25 2k4a s TRP 100 Cb 0.00 -1.75 0.23 0.00 -0.81 0.00 0.00 33.47 31.13 2k4a s TRP 100 CO 0.00 0.53 0.71 1.97 -0.51 0.00 0.00 176.95 179.65 2k4a n PHE 101 N 1.49 -2.46 -2.59 -1.98 -1.74 -1.16 -3.48 117.46 105.55 2k4a n PHE 101 Ca -0.15 -2.29 0.00 0.00 -0.56 0.00 0.00 57.45 54.45 2k4a n PHE 101 Cb 0.53 0.94 0.00 0.00 1.52 0.00 0.00 39.48 42.47 2k4a n PHE 101 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2k4a n VAL 102 N 1.97 -1.11 -4.12 1.97 3.14 -1.26 -4.62 118.33 114.31 2k4a n VAL 102 Ca 0.16 0.15 -0.34 0.00 -2.96 0.00 0.00 64.34 61.35 2k4a n VAL 102 Cb 0.58 -2.19 -0.15 0.00 -1.06 0.00 0.00 33.84 31.01 2k4a n VAL 102 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2k4a s GLY 103 N -0.29 1.51 0.12 7.55 0.00 -1.26 -4.80 107.32 110.15 2k4a s GLY 103 Ca 0.00 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.61 2k4a s GLY 103 CO 0.00 0.28 0.08 0.48 0.00 0.00 0.00 173.10 173.95 2k4a s LEU 104 N 1.26 3.70 -0.54 0.66 0.05 -1.26 -2.06 118.68 120.48 2k4a s LEU 104 Ca 0.03 -0.12 -0.07 0.00 0.05 0.00 0.00 54.13 54.02 2k4a s LEU 104 Cb -0.14 -2.36 0.14 0.00 -2.05 0.00 0.00 46.19 41.78 2k4a s LEU 104 CO -0.06 0.12 0.39 -0.54 -0.55 0.00 0.00 176.35 175.72 2k4a s LYS 105 N -2.71 2.54 0.07 1.48 -0.14 0.27 -4.66 119.74 116.59 2k4a s LYS 105 Ca 0.29 -2.07 -0.13 0.00 -1.36 0.00 0.00 55.97 52.70 2k4a s LYS 105 Cb -0.11 -3.87 -0.03 0.00 -1.68 0.00 0.00 37.83 32.14 2k4a s LYS 105 CO 0.22 -1.18 0.87 1.17 -0.76 0.00 0.00 175.35 175.66 2k4a n LYS 106 N 4.35 -0.18 -1.46 1.68 4.81 -1.26 -0.10 118.16 125.99 2k4a n LYS 106 Ca -0.00 0.85 -0.40 0.00 -0.87 0.00 0.00 58.31 57.90 2k4a n LYS 106 Cb 0.41 -1.26 -0.02 0.00 0.02 0.00 0.00 35.03 34.17 2k4a n LYS 106 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2k4a n ASN 107 N -4.04 8.10 0.00 3.14 6.94 -1.26 -3.88 115.26 124.25 2k4a n ASN 107 Ca 0.01 -2.68 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 2k4a n ASN 107 Cb 0.11 -1.54 0.00 0.00 -2.36 0.00 0.00 39.78 35.98 2k4a n ASN 107 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k4a n GLY 108 N 3.39 -1.91 0.00 4.83 0.00 -0.09 -5.10 105.19 106.32 2k4a n GLY 108 Ca 0.73 0.63 0.00 0.00 0.00 0.00 0.00 46.02 47.39 2k4a n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k4a n SER 109 N 0.00 0.00 -4.56 1.61 2.88 0.85 -4.49 113.62 109.92 2k4a n SER 109 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2k4a n SER 109 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2k4a n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k4a n LYS 111 N 6.75 0.00 -0.44 0.00 0.00 -1.05 -2.13 118.16 121.29 2k4a n LYS 111 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2k4a n LYS 111 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 2k4a n LYS 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k4a n ARG 112 N 0.00 0.00 -0.00 -1.58 5.12 -0.87 -4.84 116.66 114.49 2k4a n ARG 112 Ca 0.00 -0.70 -0.00 0.00 -1.93 0.00 0.00 57.85 55.22 2k4a n ARG 112 Cb 0.00 -0.37 -0.00 0.00 -1.16 0.00 0.00 32.46 30.93 2k4a n ARG 112 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k4a n GLY 113 N 0.00 -1.16 0.28 -0.13 0.00 -1.08 0.24 105.19 103.34 2k4a n GLY 113 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.33 2k4a n GLY 113 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k4a h PRO 114 N 0.00 0.00 0.00 1.61 0.11 -1.91 0.26 132.00 132.07 2k4a h PRO 114 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k4a h PRO 114 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2k4a h PRO 114 CO -0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 2k4a n ARG 115 N -2.54 2.47 -1.01 1.05 3.00 0.65 -4.89 116.66 115.40 2k4a n ARG 115 Ca -0.01 -1.33 -0.31 0.00 -0.01 0.00 0.00 57.85 56.19 2k4a n ARG 115 Cb 0.49 -0.92 -0.03 0.00 0.00 0.00 0.00 32.46 32.01 2k4a n ARG 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2k4a n THR 116 N -0.41 2.80 -4.30 0.55 -1.04 0.13 -4.04 114.28 107.96 2k4a n THR 116 Ca 0.00 -1.84 -0.19 0.00 -2.04 0.00 0.00 64.05 59.99 2k4a n THR 116 Cb 0.29 -2.30 -0.07 0.00 -1.82 0.00 0.00 70.33 66.43 2k4a n THR 116 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2k4a n HIS 117 N 4.82 -0.54 0.11 -1.42 -0.00 -1.26 -2.98 115.22 113.96 2k4a n HIS 117 Ca 0.53 -2.49 0.19 0.00 -0.00 0.00 0.00 57.72 55.95 2k4a n HIS 117 Cb 0.22 0.21 0.64 0.00 -0.00 0.00 0.00 29.99 31.06 2k4a n HIS 117 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 2k4a h TYR 118 N 1.89 0.00 -0.02 1.57 3.20 -1.91 0.35 116.97 122.04 2k4a h TYR 118 Ca -0.23 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.65 2k4a h TYR 118 Cb 1.08 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 2k4a h TYR 118 CO 0.00 0.00 0.06 0.78 -1.64 0.00 0.00 178.16 177.36 2k4a h GLY 119 N 0.00 0.00 -7.32 1.82 0.00 -1.95 -3.31 103.07 92.32 2k4a h GLY 119 Ca 0.19 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.88 2k4a h GLY 119 CO -0.00 0.00 -0.65 1.20 0.00 0.00 0.00 176.54 177.09 2k4a s GLN 120 N -4.33 1.84 0.63 4.80 -1.52 0.12 -4.94 119.66 116.26 2k4a s GLN 120 Ca -0.05 -2.50 0.29 0.00 -1.95 0.00 0.00 55.36 51.15 2k4a s GLN 120 Cb 0.13 -3.14 1.54 0.00 -0.22 0.00 0.00 33.01 31.32 2k4a s GLN 120 CO 0.45 -1.12 1.91 -0.22 -0.25 0.00 0.00 175.29 176.06 2k4a h LYS 121 N 6.56 0.00 0.00 2.91 1.63 -1.79 -1.40 116.57 124.48 2k4a h LYS 121 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2k4a h LYS 121 Cb 0.90 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2k4a h LYS 121 CO 0.65 0.00 0.40 0.00 -3.45 0.00 0.00 179.45 177.05 2k4a h ALA 122 N 1.40 1.39 0.00 5.00 0.00 -1.92 0.21 119.26 125.34 2k4a h ALA 122 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k4a h ALA 122 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k4a h ALA 122 CO -0.00 -0.39 -0.14 0.82 0.00 0.00 0.00 179.25 179.54 2k4a h ILE 123 N 0.00 0.61 -1.41 0.00 2.04 -1.52 -3.38 117.51 113.85 2k4a h ILE 123 Ca 0.00 -0.62 -0.58 0.00 1.00 0.00 0.00 64.86 64.65 2k4a h ILE 123 Cb 0.80 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 2k4a h ILE 123 CO 0.00 0.14 1.39 -0.76 0.00 0.00 0.00 178.15 178.92 2k4a s LEU 124 N -7.32 3.41 0.31 1.44 2.01 0.75 -4.58 118.68 114.71 2k4a s LEU 124 Ca -0.03 -1.19 -0.16 0.00 0.01 0.00 0.00 54.13 52.76 2k4a s LEU 124 Cb 0.13 -2.57 -0.09 0.00 0.01 0.00 0.00 46.19 43.67 2k4a s LEU 124 CO 0.60 -1.60 0.75 -0.36 1.01 0.00 0.00 176.35 176.74 2k4a s PHE 125 N 5.22 3.42 -0.49 0.29 0.08 -0.82 -4.64 117.98 121.05 2k4a s PHE 125 Ca 0.44 1.27 -0.14 0.00 0.12 0.00 0.00 56.93 58.62 2k4a s PHE 125 Cb -0.02 -2.57 0.10 0.00 -0.57 0.00 0.00 43.02 39.96 2k4a s PHE 125 CO -0.04 0.13 0.40 -1.17 -0.10 0.00 0.00 175.22 174.44 2k4a s LEU 126 N -2.80 5.74 -0.03 -0.37 2.96 0.60 0.19 118.68 124.96 2k4a s LEU 126 Ca 0.52 -1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 2k4a s LEU 126 Cb -0.11 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2k4a s LEU 126 CO 0.18 -0.70 1.05 -2.16 -1.32 0.00 0.00 176.35 173.40 2k4a s PRO 127 N 1.57 4.47 -0.52 0.98 0.04 -1.26 -1.64 135.00 138.64 2k4a s PRO 127 Ca 0.04 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.64 2k4a s PRO 127 Cb -0.26 -3.48 0.32 0.00 0.04 0.00 0.00 34.50 31.12 2k4a s PRO 127 CO 0.04 -0.21 0.82 1.28 0.04 0.00 0.00 177.00 178.97 2k4a n LEU 128 N 4.40 3.05 -5.01 -3.56 4.77 0.30 -4.99 117.00 115.97 2k4a n LEU 128 Ca 0.08 -5.38 -0.22 0.00 -0.03 0.00 0.00 56.01 50.46 2k4a n LEU 128 Cb 0.49 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2k4a n LEU 128 CO 0.53 2.26 0.45 -2.16 -1.33 0.00 0.00 177.39 177.14 2k4a s PRO 129 N -2.82 2.00 -0.48 3.23 0.04 -1.25 -3.14 135.00 132.57 2k4a s PRO 129 Ca 0.44 -1.29 -0.15 0.00 0.04 0.00 0.00 61.00 60.03 2k4a s PRO 129 Cb 0.26 -2.47 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2k4a s PRO 129 CO -0.10 -1.14 0.41 0.14 0.04 0.00 0.00 177.00 176.35 2k4a s VAL 130 N -2.91 5.21 0.00 -0.36 -7.23 -1.26 -4.92 120.40 108.94 2k4a s VAL 130 Ca 0.64 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2k4a s VAL 130 Cb -0.06 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.74 2k4a s VAL 130 CO 0.42 -0.61 0.00 -1.20 -0.31 0.00 0.00 175.10 173.39 2k4a n SER 131 N 5.20 0.00 -3.90 4.85 7.64 -1.26 -3.43 113.62 122.72 2k4a n SER 131 Ca -0.13 -0.84 -0.30 0.00 1.01 0.00 0.00 58.87 58.61 2k4a n SER 131 Cb 0.43 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.49 2k4a n SER 131 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k4a s SER 132 N -1.00 4.36 0.00 6.43 0.01 -1.26 0.44 113.70 122.68 2k4a s SER 132 Ca 0.00 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 54.94 2k4a s SER 132 Cb 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2k4a s SER 132 CO 0.00 -0.34 0.00 -0.67 0.41 0.00 0.00 173.24 172.64