#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3t s GLN 2 N 0.00 2.85 0.37 3.17 0.74 -1.26 -1.30 119.66 124.23 1c3t s GLN 2 Ca 0.00 -1.74 0.03 0.00 0.05 0.00 0.00 55.36 53.70 1c3t s GLN 2 Cb 0.00 -4.19 -0.01 0.00 1.10 0.00 0.00 33.01 29.90 1c3t s GLN 2 CO 0.00 -1.29 0.55 -0.51 -0.55 0.00 0.00 175.29 173.49 1c3t s LEU 3 N 1.51 3.88 0.25 3.68 1.43 -0.66 -2.85 118.68 125.92 1c3t s LEU 3 Ca 0.04 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1c3t s LEU 3 Cb -0.29 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1c3t s LEU 3 CO 0.02 -0.48 -0.04 -0.36 0.23 0.00 0.00 176.35 175.71 1c3t s PHE 4 N -2.33 2.64 -0.23 0.29 0.40 -0.72 -1.45 117.98 116.58 1c3t s PHE 4 Ca 0.44 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1c3t s PHE 4 Cb -0.10 -1.19 0.10 0.00 0.51 0.00 0.00 43.02 42.34 1c3t s PHE 4 CO 0.34 0.61 0.18 0.08 0.70 0.00 0.00 175.22 177.14 1c3t s VAL 5 N -2.23 -0.23 0.16 -0.44 1.01 -0.61 -2.84 120.40 115.22 1c3t s VAL 5 Ca 0.30 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1c3t s VAL 5 Cb -0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1c3t s VAL 5 CO 0.19 -0.40 0.38 -1.59 0.00 0.00 0.00 175.10 173.67 1c3t s LYS 6 N 2.24 3.59 0.38 2.72 -2.85 -0.31 -1.10 119.74 124.41 1c3t s LYS 6 Ca 0.07 -0.15 0.06 0.00 -1.00 0.00 0.00 55.97 54.95 1c3t s LYS 6 Cb -0.15 -2.85 0.06 0.00 -2.06 0.00 0.00 37.83 32.83 1c3t s LYS 6 CO -0.22 0.45 0.49 0.25 0.10 0.00 0.00 175.35 176.42 1c3t n THR 7 N -0.09 0.00 1.18 3.79 -2.24 -0.72 -0.33 114.28 115.87 1c3t n THR 7 Ca -0.03 -1.30 0.13 0.00 -2.27 0.00 0.00 64.05 60.58 1c3t n THR 7 Cb 0.52 -0.60 0.51 0.00 -2.10 0.00 0.00 70.33 68.65 1c3t n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1c3t n LEU 8 N 0.00 0.37 -0.10 3.22 0.00 -1.16 -3.94 117.00 115.40 1c3t n LEU 8 Ca 0.09 0.13 -0.23 0.00 0.00 0.00 0.00 56.01 56.00 1c3t n LEU 8 Cb 0.40 -0.29 -0.12 0.00 0.00 0.00 0.00 43.42 43.42 1c3t n LEU 8 CO 0.25 0.08 -1.16 0.35 0.00 0.00 0.00 177.39 176.92 1c3t n THR 9 N -1.24 1.57 0.00 1.96 -2.24 -1.26 -5.01 114.28 108.05 1c3t n THR 9 Ca 0.10 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1c3t n THR 9 Cb 0.31 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1c3t n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3t n GLY 10 N 1.79 0.04 3.04 3.38 0.00 -1.25 -5.13 105.19 107.05 1c3t n GLY 10 Ca -0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1c3t n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3t s LYS 11 N 0.00 1.93 -0.22 1.61 2.36 -1.26 -4.93 119.74 119.22 1c3t s LYS 11 Ca 0.00 -1.51 -0.08 0.00 -2.55 0.00 0.00 55.97 51.83 1c3t s LYS 11 Cb 0.00 -2.97 -0.04 0.00 -1.05 0.00 0.00 37.83 33.77 1c3t s LYS 11 CO 0.00 -0.70 0.10 0.99 1.55 0.00 0.00 175.35 177.28 1c3t s THR 12 N 1.05 4.86 0.18 3.43 2.01 -1.26 -1.75 115.64 124.17 1c3t s THR 12 Ca -0.02 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1c3t s THR 12 Cb -0.20 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.08 1c3t s THR 12 CO -0.06 0.39 0.06 0.00 -0.69 0.00 0.00 174.62 174.32 1c3t n LEU 13 N 4.15 0.00 -3.77 4.42 -0.00 -0.26 -4.90 117.00 116.64 1c3t n LEU 13 Ca -0.16 -1.04 -0.13 0.00 -0.00 0.00 0.00 56.01 54.68 1c3t n LEU 13 Cb 0.52 0.06 -0.11 0.00 -0.00 0.00 0.00 43.42 43.89 1c3t n LEU 13 CO 0.34 -0.25 -0.06 -0.89 -0.00 0.00 0.00 177.39 176.53 1c3t s THR 14 N -1.32 -0.00 0.03 1.47 2.01 -1.26 -1.58 115.64 114.99 1c3t s THR 14 Ca 0.05 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 1c3t s THR 14 Cb -0.00 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1c3t s THR 14 CO 0.03 0.00 0.06 0.68 -0.69 0.00 0.00 174.62 174.70 1c3t s VAL 15 N 0.23 0.12 -0.53 3.82 -7.23 -0.53 -4.99 120.40 111.29 1c3t s VAL 15 Ca -0.01 -1.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 1c3t s VAL 15 Cb -0.03 -0.66 0.08 0.00 0.56 0.00 0.00 36.38 36.34 1c3t s VAL 15 CO -0.00 -0.56 0.62 -1.61 -0.31 0.00 0.00 175.10 173.24 1c3t s GLU 16 N -2.11 3.07 -0.00 4.82 2.02 -1.26 -1.66 118.70 123.59 1c3t s GLU 16 Ca -0.09 -1.13 0.03 0.00 0.02 0.00 0.00 54.97 53.80 1c3t s GLU 16 Cb -0.04 -4.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.01 1c3t s GLU 16 CO -0.03 -1.32 -0.10 -0.51 0.02 0.00 0.00 175.26 173.33 1c3t s LEU 17 N 2.50 2.03 0.23 1.80 1.43 -0.42 -4.89 118.68 121.36 1c3t s LEU 17 Ca 0.12 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1c3t s LEU 17 Cb -0.22 -0.49 -0.06 0.00 0.03 0.00 0.00 46.19 45.44 1c3t s LEU 17 CO 0.09 0.11 0.51 -1.61 0.23 0.00 0.00 176.35 175.67 1c3t s GLU 18 N -0.31 3.70 0.57 1.70 8.01 -1.26 -2.23 118.70 128.89 1c3t s GLU 18 Ca 0.03 0.09 0.31 0.00 0.01 0.00 0.00 54.97 55.41 1c3t s GLU 18 Cb -0.04 -2.70 1.43 0.00 -4.31 0.00 0.00 34.13 28.51 1c3t s GLU 18 CO -0.00 0.32 1.80 -1.35 0.01 0.00 0.00 175.26 176.04 1c3t h PRO 19 N 2.34 0.00 -0.62 0.39 0.11 -1.95 0.15 132.00 132.42 1c3t h PRO 19 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1c3t h PRO 19 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1c3t h PRO 19 CO 0.69 0.00 0.06 0.66 -0.21 0.00 0.00 178.00 179.20 1c3t h SER 20 N 0.00 1.02 -2.62 -2.05 4.64 -1.97 -1.92 113.55 110.64 1c3t h SER 20 Ca 0.36 -0.28 -0.56 0.00 -0.47 0.00 0.00 61.79 60.83 1c3t h SER 20 Cb 1.72 -0.27 0.20 0.00 -0.31 0.00 0.00 62.40 63.74 1c3t h SER 20 CO -0.00 1.04 -0.98 0.47 -0.87 0.00 0.00 176.83 176.49 1c3t n ASP 21 N -4.24 -3.14 -4.73 4.97 9.92 0.52 -4.60 116.55 115.25 1c3t n ASP 21 Ca 0.03 0.48 -0.23 0.00 -0.53 0.00 0.00 54.79 54.54 1c3t n ASP 21 Cb 0.31 -1.01 -0.06 0.00 -0.64 0.00 0.00 41.12 39.72 1c3t n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1c3t s THR 22 N -2.00 3.55 0.39 -3.53 -4.23 -1.26 -2.02 115.64 106.55 1c3t s THR 22 Ca 0.56 -1.69 0.20 0.00 -1.18 0.00 0.00 61.69 59.58 1c3t s THR 22 Cb -0.33 -3.04 0.40 0.00 1.34 0.00 0.00 72.50 70.87 1c3t s THR 22 CO 0.67 -0.29 1.71 0.58 -0.54 0.00 0.00 174.62 176.75 1c3t h VAL 23 N 1.64 0.38 0.01 2.29 2.07 -1.54 0.21 116.25 121.31 1c3t h VAL 23 Ca -0.45 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1c3t h VAL 23 Cb 1.25 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1c3t h VAL 23 CO 0.61 0.06 -0.02 -0.08 0.02 0.00 0.00 177.57 178.16 1c3t h GLU 24 N 0.31 -0.03 -0.70 1.57 4.22 -1.91 -1.94 114.58 116.10 1c3t h GLU 24 Ca 0.68 0.00 0.11 0.00 0.08 0.00 0.00 59.36 60.24 1c3t h GLU 24 Cb 1.80 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.97 1c3t h GLU 24 CO -0.40 -0.02 0.30 -0.91 -2.18 0.00 0.00 179.01 175.80 1c3t h ASN 25 N -0.03 0.34 0.09 1.04 -0.26 -0.98 0.12 115.58 115.90 1c3t h ASN 25 Ca 0.00 0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1c3t h ASN 25 Cb 0.04 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1c3t h ASN 25 CO -0.01 0.18 -0.17 0.25 -1.06 0.00 0.00 177.43 176.62 1c3t h LEU 26 N 0.50 -0.47 -0.02 1.61 5.85 -1.04 -2.27 115.31 119.47 1c3t h LEU 26 Ca 0.36 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.15 1c3t h LEU 26 Cb 0.46 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1c3t h LEU 26 CO -0.32 -0.24 -0.06 0.11 -0.34 0.00 0.00 178.44 177.59 1c3t h LYS 27 N -0.33 -0.09 -0.88 1.25 1.57 -0.59 -2.34 116.57 115.17 1c3t h LYS 27 Ca 0.03 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.04 1c3t h LYS 27 Cb 0.35 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.53 1c3t h LYS 27 CO -0.10 -0.06 0.12 0.00 -0.57 0.00 0.00 179.45 178.84 1c3t h ALA 28 N 0.92 1.13 -0.22 3.86 0.00 -0.55 0.33 119.26 124.73 1c3t h ALA 28 Ca 0.03 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1c3t h ALA 28 Cb 0.13 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1c3t h ALA 28 CO -0.07 -0.50 0.11 0.87 0.00 0.00 0.00 179.25 179.66 1c3t h LYS 29 N 0.12 0.31 0.00 0.00 1.79 -0.91 -1.53 116.57 116.35 1c3t h LYS 29 Ca 0.53 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1c3t h LYS 29 Cb 1.07 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1c3t h LYS 29 CO -0.74 0.32 0.07 0.82 -1.08 0.00 0.00 179.45 178.84 1c3t h ILE 30 N 0.23 0.00 0.13 1.86 2.04 0.07 0.33 117.51 122.17 1c3t h ILE 30 Ca 0.08 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.64 1c3t h ILE 30 Cb 0.11 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1c3t h ILE 30 CO -0.01 0.00 -1.42 -0.61 0.00 0.00 0.00 178.15 176.11 1c3t h GLN 31 N 0.00 0.28 0.00 2.37 4.15 -0.14 -0.84 115.11 120.94 1c3t h GLN 31 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1c3t h GLN 31 Cb 0.15 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1c3t h GLN 31 CO 0.00 1.18 -0.61 -0.25 -1.93 0.00 0.00 178.83 177.22 1c3t n ASP 32 N -3.50 0.57 -0.06 -0.69 8.00 -0.08 -2.37 116.55 118.42 1c3t n ASP 32 Ca -0.14 -0.18 -0.06 0.00 0.71 0.00 0.00 54.79 55.12 1c3t n ASP 32 Cb 1.04 0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 42.44 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1c3t n LYS 33 N -1.69 0.38 0.00 -1.24 4.76 0.98 -4.67 118.16 116.68 1c3t n LYS 33 Ca 0.05 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.76 1c3t n LYS 33 Cb 0.37 -1.16 0.31 0.00 -1.84 0.00 0.00 35.03 32.71 1c3t n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1c3t n GLU 34 N -4.06 0.23 -2.41 1.97 1.02 -0.39 -4.95 120.64 112.05 1c3t n GLU 34 Ca -0.10 -0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 56.81 1c3t n GLU 34 Cb 0.37 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c3t n GLY 35 N 1.45 0.02 3.08 0.62 0.00 -0.77 -4.97 105.19 104.63 1c3t n GLY 35 Ca 0.07 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1c3t n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c3t s ILE 36 N -2.68 1.85 0.73 -0.61 1.01 -0.96 -4.94 121.20 115.60 1c3t s ILE 36 Ca 0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1c3t s ILE 36 Cb -0.03 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1c3t s ILE 36 CO 0.09 0.50 1.10 -2.65 0.00 0.00 0.00 174.94 173.99 1c3t n PRO 37 N 4.66 0.55 -0.27 2.79 -0.02 -1.26 -3.04 135.00 138.41 1c3t n PRO 37 Ca -0.19 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.56 1c3t n PRO 37 Cb 0.50 -2.35 0.15 0.00 -0.02 0.00 0.00 33.50 31.78 1c3t n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1c3t h PRO 38 N -0.27 0.67 0.00 0.52 0.11 -1.90 0.09 132.00 131.22 1c3t h PRO 38 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1c3t h PRO 38 Cb 1.32 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1c3t h PRO 38 CO 0.48 0.44 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.16 1c3t h ASP 39 N 0.69 0.00 -0.35 -2.05 5.19 -1.98 -2.14 116.42 115.78 1c3t h ASP 39 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1c3t h ASP 39 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1c3t h ASP 39 CO -0.26 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 175.98 1c3t n GLN 40 N -3.34 1.84 -3.88 3.56 3.00 -0.00 -4.78 117.38 113.78 1c3t n GLN 40 Ca -0.00 -1.30 -0.11 0.00 -0.01 0.00 0.00 57.00 55.58 1c3t n GLN 40 Cb 0.32 -1.30 -0.12 0.00 0.00 0.00 0.00 30.24 29.15 1c3t n GLN 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1c3t s GLN 41 N -1.54 0.25 -0.12 -1.09 -2.07 -0.80 -4.06 119.66 110.22 1c3t s GLN 41 Ca 0.25 -0.17 0.01 0.00 -1.82 0.00 0.00 55.36 53.63 1c3t s GLN 41 Cb 0.13 0.10 0.02 0.00 -1.09 0.00 0.00 33.01 32.17 1c3t s GLN 41 CO 0.18 -0.05 -0.13 0.50 -1.32 0.00 0.00 175.29 174.47 1c3t s ARG 42 N -0.65 2.08 -0.18 9.60 3.52 0.06 -4.79 118.95 128.58 1c3t s ARG 42 Ca -0.07 -0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 54.87 1c3t s ARG 42 Cb -0.04 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 1c3t s ARG 42 CO 0.00 -0.16 0.45 -0.51 -0.81 0.00 0.00 175.30 174.27 1c3t s LEU 43 N 1.29 4.18 -0.23 -0.88 1.43 -1.26 -0.67 118.68 122.54 1c3t s LEU 43 Ca -0.01 0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1c3t s LEU 43 Cb -0.14 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.54 1c3t s LEU 43 CO -0.06 -0.09 0.01 -0.63 0.23 0.00 0.00 176.35 175.81 1c3t s ILE 44 N 1.23 1.07 -0.17 -0.59 -1.09 -0.57 -1.51 121.20 119.57 1c3t s ILE 44 Ca 0.22 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1c3t s ILE 44 Cb -0.15 -1.51 -0.01 0.00 -1.58 0.00 0.00 42.46 39.21 1c3t s ILE 44 CO 0.09 -0.25 -0.12 0.12 -1.23 0.00 0.00 174.94 173.55 1c3t s PHE 45 N 1.59 2.85 -1.46 3.97 5.36 -0.80 -2.60 117.98 126.89 1c3t s PHE 45 Ca -0.01 -0.96 -0.10 0.00 -0.96 0.00 0.00 56.93 54.90 1c3t s PHE 45 Cb -0.18 -1.95 0.05 0.00 -0.34 0.00 0.00 43.02 40.61 1c3t s PHE 45 CO -0.10 -0.46 0.83 0.00 -1.46 0.00 0.00 175.22 174.03 1c3t n ALA 46 N 4.20 -1.17 -0.98 11.12 0.00 -1.26 -0.02 120.51 132.39 1c3t n ALA 46 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1c3t n ALA 46 Cb 0.52 -4.17 0.00 0.00 0.00 0.00 0.00 19.45 15.80 1c3t n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c3t n GLY 47 N -1.59 0.30 3.10 0.00 0.00 -1.26 -4.97 105.19 100.77 1c3t n GLY 47 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1c3t n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3t s LYS 48 N -0.85 2.15 0.21 1.61 2.36 0.96 -5.09 119.74 121.10 1c3t s LYS 48 Ca 0.00 -1.46 -0.30 0.00 -2.55 0.00 0.00 55.97 51.65 1c3t s LYS 48 Cb 0.00 -3.13 -0.10 0.00 -1.05 0.00 0.00 37.83 33.55 1c3t s LYS 48 CO 0.00 -0.71 1.46 -1.14 1.55 0.00 0.00 175.35 176.51 1c3t s GLN 49 N 1.12 4.27 0.20 4.03 -0.44 -1.26 -1.91 119.66 125.68 1c3t s GLN 49 Ca -0.02 2.28 -0.30 0.00 -2.50 0.00 0.00 55.36 54.82 1c3t s GLN 49 Cb -0.20 -3.14 -0.09 0.00 -1.64 0.00 0.00 33.01 27.94 1c3t s GLN 49 CO -0.04 -0.46 1.34 -0.51 0.50 0.00 0.00 175.29 176.12 1c3t s LEU 50 N 0.13 4.41 -0.29 3.68 1.43 -0.57 -4.95 118.68 122.52 1c3t s LEU 50 Ca 0.62 2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 56.06 1c3t s LEU 50 Cb -0.42 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 1c3t s LEU 50 CO 0.39 -0.56 0.18 -1.61 0.23 0.00 0.00 176.35 174.97 1c3t s GLU 51 N -0.09 3.71 0.37 1.70 2.02 -1.26 -4.84 118.70 120.30 1c3t s GLU 51 Ca 0.58 -0.48 -0.24 0.00 0.02 0.00 0.00 54.97 54.84 1c3t s GLU 51 Cb -0.37 -3.63 -0.13 0.00 0.10 0.00 0.00 34.13 30.10 1c3t s GLU 51 CO 0.39 -0.28 0.67 -3.47 0.02 0.00 0.00 175.26 172.58 1c3t n ASP 52 N 5.04 -0.35 0.00 -0.19 -0.08 -1.26 -1.75 116.55 117.96 1c3t n ASP 52 Ca -0.14 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1c3t n ASP 52 Cb 0.51 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.83 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c3t n GLY 53 N 1.66 2.30 3.96 0.27 0.00 -1.26 -4.98 105.19 107.14 1c3t n GLY 53 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1c3t n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c3t s ARG 54 N -0.67 2.78 0.13 1.61 1.81 -0.71 -4.91 118.95 118.99 1c3t s ARG 54 Ca 0.00 -0.58 0.04 0.00 -1.72 0.00 0.00 55.73 53.47 1c3t s ARG 54 Cb 0.00 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1c3t s ARG 54 CO 0.00 -0.54 0.11 0.95 -0.68 0.00 0.00 175.30 175.14 1c3t s THR 55 N -2.71 4.49 0.28 0.02 -4.23 -1.26 -1.48 115.64 110.74 1c3t s THR 55 Ca 0.53 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1c3t s THR 55 Cb -0.10 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.72 1c3t s THR 55 CO 0.39 -0.02 1.91 -0.07 -0.54 0.00 0.00 174.62 176.29 1c3t h LEU 56 N 2.74 0.97 -2.61 4.79 3.38 -1.07 -1.33 115.31 122.19 1c3t h LEU 56 Ca -0.47 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1c3t h LEU 56 Cb 1.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1c3t h LEU 56 CO 0.64 0.77 0.01 -1.28 0.09 0.00 0.00 178.44 178.67 1c3t h SER 57 N 1.10 0.00 0.33 -0.43 0.87 -1.64 -0.65 113.55 113.13 1c3t h SER 57 Ca 0.28 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1c3t h SER 57 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1c3t h SER 57 CO -0.05 0.00 -0.53 0.44 -0.53 0.00 0.00 176.83 176.16 1c3t h ASP 58 N 0.00 0.25 -0.93 6.23 3.32 -1.52 -2.99 116.42 120.77 1c3t h ASP 58 Ca 0.00 -0.13 -0.53 0.00 0.02 0.00 0.00 57.03 56.39 1c3t h ASP 58 Cb 0.03 -0.07 -0.28 0.00 0.22 0.00 0.00 39.33 39.23 1c3t h ASP 58 CO -0.00 0.73 0.68 -1.22 -1.72 0.00 0.00 179.24 177.71 1c3t n TYR 59 N -3.93 2.92 -3.96 4.55 4.01 -0.28 -4.92 117.16 115.56 1c3t n TYR 59 Ca -0.02 -2.12 -0.40 0.00 -0.16 0.00 0.00 57.90 55.19 1c3t n TYR 59 Cb 0.56 -1.06 0.02 0.00 -0.31 0.00 0.00 39.34 38.55 1c3t n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1c3t n ASN 60 N -0.95 -4.49 -4.54 7.72 0.23 -1.13 -4.88 115.26 107.23 1c3t n ASN 60 Ca 0.57 -1.19 -0.43 0.00 -0.53 0.00 0.00 54.58 53.00 1c3t n ASN 60 Cb 1.30 -1.94 -0.07 0.00 -2.08 0.00 0.00 39.78 37.00 1c3t n ASN 60 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1c3t s LEU 61 N -6.84 4.39 0.00 -4.53 2.01 -1.06 -5.04 118.68 107.62 1c3t s LEU 61 Ca 0.40 -0.16 0.07 0.00 0.01 0.00 0.00 54.13 54.45 1c3t s LEU 61 Cb -0.21 -2.77 0.08 0.00 0.01 0.00 0.00 46.19 43.31 1c3t s LEU 61 CO 0.94 -0.73 0.66 0.00 1.01 0.00 0.00 176.35 178.24 1c3t n GLN 62 N 6.23 0.60 -2.61 1.70 6.02 -1.26 -4.79 117.38 123.26 1c3t n GLN 62 Ca -0.01 -2.46 -0.41 0.00 -0.01 0.00 0.00 57.00 54.11 1c3t n GLN 62 Cb 0.48 -0.24 -0.04 0.00 1.02 0.00 0.00 30.24 31.46 1c3t n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1c3t s LYS 63 N -4.16 4.65 -0.34 -1.09 2.20 -1.26 -3.65 119.74 116.09 1c3t s LYS 63 Ca 0.49 1.61 -0.02 0.00 -0.36 0.00 0.00 55.97 57.69 1c3t s LYS 63 Cb -0.04 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1c3t s LYS 63 CO 0.31 0.16 0.30 0.39 -0.36 0.00 0.00 175.35 176.15 1c3t n GLU 64 N 2.46 -2.02 -2.10 4.03 1.02 -1.13 -5.04 120.64 117.86 1c3t n GLU 64 Ca 0.02 0.21 -0.28 0.00 -0.02 0.00 0.00 57.16 57.09 1c3t n GLU 64 Cb 0.47 -3.37 0.05 0.00 -0.02 0.00 0.00 31.44 28.58 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1c3t s SER 65 N -3.10 5.30 -0.15 1.62 0.01 -1.24 -4.87 113.70 111.26 1c3t s SER 65 Ca 0.14 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1c3t s SER 65 Cb -0.06 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.53 1c3t s SER 65 CO 0.19 -1.35 -0.10 -0.89 0.41 0.00 0.00 173.24 171.49 1c3t s THR 66 N -3.25 1.35 -0.15 1.44 2.01 -1.26 -1.75 115.64 114.03 1c3t s THR 66 Ca 0.57 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1c3t s THR 66 Cb -0.11 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 1c3t s THR 66 CO 0.48 0.33 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.00 1c3t s ILE 67 N 1.56 3.13 -0.39 1.82 1.09 -1.13 -4.77 121.20 122.50 1c3t s ILE 67 Ca 0.03 -0.62 -0.21 0.00 -1.10 0.00 0.00 60.65 58.75 1c3t s ILE 67 Cb -0.14 -2.34 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1c3t s ILE 67 CO -0.09 0.50 0.69 -1.00 -0.10 0.00 0.00 174.94 174.94 1c3t s HIS 68 N 0.62 3.09 -0.33 3.97 3.76 -1.07 -1.16 115.29 124.18 1c3t s HIS 68 Ca -0.06 0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.93 1c3t s HIS 68 Cb -0.15 -3.33 -0.01 0.00 1.11 0.00 0.00 32.58 30.20 1c3t s HIS 68 CO 0.03 -0.77 0.44 -1.17 -0.85 0.00 0.00 174.74 172.42 1c3t s LEU 69 N 2.91 4.31 -0.05 0.89 0.20 0.55 -1.51 118.68 125.98 1c3t s LEU 69 Ca 0.26 -0.01 -0.02 0.00 0.69 0.00 0.00 54.13 55.05 1c3t s LEU 69 Cb -0.14 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 1c3t s LEU 69 CO 0.18 -0.37 0.07 -0.69 -0.29 0.00 0.00 176.35 175.25 1c3t s VAL 70 N 2.21 4.78 -0.94 1.68 1.01 0.15 -2.96 120.40 126.32 1c3t s VAL 70 Ca 0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1c3t s VAL 70 Cb -0.16 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1c3t s VAL 70 CO 0.12 0.46 2.09 -0.11 0.00 0.00 0.00 175.10 177.67 1c3t n LEU 71 N 1.57 4.98 -3.10 3.92 -0.00 -1.26 -0.76 117.00 122.35 1c3t n LEU 71 Ca -0.16 -3.08 -0.00 0.00 -0.00 0.00 0.00 56.01 52.77 1c3t n LEU 71 Cb 0.53 -1.18 -0.00 0.00 -0.00 0.00 0.00 43.42 42.78 1c3t n LEU 71 CO 0.34 0.35 -0.17 -1.14 -0.00 0.00 0.00 177.39 176.77 1c3t n ARG 72 N 5.46 -1.10 -1.62 1.96 0.63 -1.26 -4.96 116.66 115.76 1c3t n ARG 72 Ca 0.49 1.18 -0.19 0.00 -0.92 0.00 0.00 57.85 58.41 1c3t n ARG 72 Cb 0.27 -1.03 0.12 0.00 0.45 0.00 0.00 32.46 32.27 1c3t n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1c3t n LEU 73 N 2.13 0.00 -3.55 6.15 4.77 -1.26 -5.05 117.00 120.19 1c3t n LEU 73 Ca -0.01 -1.23 -0.27 0.00 -0.03 0.00 0.00 56.01 54.47 1c3t n LEU 73 Cb 0.16 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 1c3t n LEU 73 CO 0.02 -1.03 -0.00 0.54 -1.33 0.00 0.00 177.39 175.59 1c3t n ARG 74 N -2.69 2.09 -0.98 3.23 5.12 -1.26 -4.97 116.66 117.21 1c3t n ARG 74 Ca 0.12 -4.45 0.00 0.00 -1.93 0.00 0.00 57.85 51.59 1c3t n ARG 74 Cb 0.41 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c3t n GLY 75 N 1.31 -2.11 2.89 -0.13 0.00 -1.26 -5.34 105.19 100.55 1c3t n GLY 75 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93