#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 4.30 0.21 2.12 0.74 -1.26 -2.16 119.66 123.60 1c3t s GLN 2 Ca 0.00 1.04 0.07 0.00 0.05 0.00 0.00 55.36 56.53 1c3t s GLN 2 Cb 0.00 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 1c3t s GLN 2 CO 0.00 -0.34 0.07 -0.51 -0.55 0.00 0.00 175.29 173.96 1c3t s LEU 3 N 2.19 3.51 -0.32 3.68 1.43 0.42 -1.11 118.68 128.48 1c3t s LEU 3 Ca 0.39 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1c3t s LEU 3 Cb -0.17 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.05 1c3t s LEU 3 CO 0.12 0.04 0.04 -0.36 0.23 0.00 0.00 176.35 176.42 1c3t s PHE 4 N -1.94 3.24 -0.14 0.29 0.40 -0.59 -1.03 117.98 118.22 1c3t s PHE 4 Ca 0.30 -2.63 -0.20 0.00 -0.60 0.00 0.00 56.93 53.80 1c3t s PHE 4 Cb -0.09 -2.53 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 1c3t s PHE 4 CO 0.21 -0.92 0.58 0.08 0.70 0.00 0.00 175.22 175.87 1c3t s VAL 5 N 1.09 5.09 -0.14 -0.44 1.01 -0.22 -2.83 120.40 123.95 1c3t s VAL 5 Ca 0.08 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1c3t s VAL 5 Cb -0.19 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1c3t s VAL 5 CO -0.11 0.22 -0.14 -1.59 0.00 0.00 0.00 175.10 173.48 1c3t s LYS 6 N 1.19 3.29 0.44 2.72 -2.85 -0.53 -0.30 119.74 123.70 1c3t s LYS 6 Ca 0.29 -0.72 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 1c3t s LYS 6 Cb -0.16 -2.63 0.09 0.00 -2.06 0.00 0.00 37.83 33.07 1c3t s LYS 6 CO 0.12 0.10 0.60 0.25 0.10 0.00 0.00 175.35 176.52 1c3t n THR 7 N 3.83 0.00 1.54 3.79 -2.24 0.07 -0.72 114.28 120.55 1c3t n THR 7 Ca -0.19 -0.81 0.15 0.00 -2.27 0.00 0.00 64.05 60.93 1c3t n THR 7 Cb 0.52 -1.23 0.69 0.00 -2.10 0.00 0.00 70.33 68.21 1c3t n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1c3t n LEU 8 N 0.00 0.41 -1.11 3.22 7.99 -1.21 -3.45 117.00 122.85 1c3t n LEU 8 Ca 0.09 -0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.14 1c3t n LEU 8 Cb 0.33 -0.14 0.21 0.00 -0.11 0.00 0.00 43.42 43.71 1c3t n LEU 8 CO 0.23 0.07 0.61 0.35 -1.51 0.00 0.00 177.39 177.14 1c3t n THR 9 N -0.90 1.23 -1.30 -5.08 -2.24 -1.26 -4.87 114.28 99.85 1c3t n THR 9 Ca 0.17 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1c3t n THR 9 Cb 0.25 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.58 1.14 3.63 3.38 0.00 -1.22 -4.99 105.19 107.71 1c3t n GLY 10 Ca 0.15 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.72 2.73 -0.19 1.61 2.20 -1.26 -4.98 119.74 117.13 1c3t s LYS 11 Ca 0.00 -0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1c3t s LYS 11 Cb 0.00 -2.62 0.05 0.00 -1.51 0.00 0.00 37.83 33.75 1c3t s LYS 11 CO 0.00 0.64 -0.06 0.99 -0.36 0.00 0.00 175.35 176.56 1c3t s THR 12 N -0.96 1.28 0.11 3.43 2.01 -1.26 -0.75 115.64 119.49 1c3t s THR 12 Ca 0.16 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1c3t s THR 12 Cb -0.11 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1c3t s THR 12 CO 0.06 0.07 0.24 -1.48 -0.69 0.00 0.00 174.62 172.83 1c3t s LEU 13 N 1.55 4.32 -0.07 4.42 0.05 0.60 -4.92 118.68 124.63 1c3t s LEU 13 Ca -0.01 0.20 -0.05 0.00 0.05 0.00 0.00 54.13 54.33 1c3t s LEU 13 Cb -0.16 -2.91 -0.04 0.00 -2.05 0.00 0.00 46.19 41.03 1c3t s LEU 13 CO -0.08 0.11 0.14 -0.89 -0.55 0.00 0.00 176.35 175.08 1c3t s THR 14 N -1.63 5.35 0.23 5.48 2.01 -1.26 -1.06 115.64 124.76 1c3t s THR 14 Ca 0.35 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1c3t s THR 14 Cb -0.12 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1c3t s THR 14 CO 0.28 0.50 0.27 0.68 -0.69 0.00 0.00 174.62 175.66 1c3t s VAL 15 N -1.13 0.00 -0.11 3.82 -7.23 -0.19 -4.97 120.40 110.58 1c3t s VAL 15 Ca 0.20 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1c3t s VAL 15 Cb -0.12 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1c3t s VAL 15 CO 0.10 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.17 1c3t s GLU 16 N -4.02 1.81 -0.09 4.82 0.41 -1.26 -0.44 118.70 119.93 1c3t s GLU 16 Ca 0.33 -0.39 -0.13 0.00 -0.41 0.00 0.00 54.97 54.37 1c3t s GLU 16 Cb 0.04 -1.68 0.03 0.00 -1.78 0.00 0.00 34.13 30.73 1c3t s GLU 16 CO 0.12 -0.16 0.34 -1.17 -0.49 0.00 0.00 175.26 173.90 1c3t s LEU 17 N 1.32 0.72 0.16 1.80 2.96 -0.92 -4.99 118.68 119.73 1c3t s LEU 17 Ca -0.01 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1c3t s LEU 17 Cb -0.14 1.25 -0.04 0.00 0.50 0.00 0.00 46.19 47.76 1c3t s LEU 17 CO -0.05 -0.25 0.31 -1.61 -1.32 0.00 0.00 176.35 173.43 1c3t s GLU 18 N -0.41 3.46 0.57 1.98 8.01 -1.26 -4.18 118.70 126.87 1c3t s GLU 18 Ca -0.05 -0.51 0.31 0.00 0.01 0.00 0.00 54.97 54.73 1c3t s GLU 18 Cb -0.03 -2.93 1.44 0.00 -4.31 0.00 0.00 34.13 28.29 1c3t s GLU 18 CO 0.02 0.49 1.81 -1.35 0.01 0.00 0.00 175.26 176.25 1c3t h PRO 19 N 2.18 0.00 -0.11 0.39 0.11 -1.92 0.33 132.00 132.97 1c3t h PRO 19 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1c3t h PRO 19 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c3t h PRO 19 CO 0.69 0.00 -0.62 0.66 -0.21 0.00 0.00 178.00 178.52 1c3t h SER 20 N 0.00 0.44 -3.14 -2.05 4.64 -1.95 0.33 113.55 111.82 1c3t h SER 20 Ca 0.35 -0.26 -0.54 0.00 -0.47 0.00 0.00 61.79 60.87 1c3t h SER 20 Cb 1.68 -0.13 0.21 0.00 -0.31 0.00 0.00 62.40 63.85 1c3t h SER 20 CO -0.00 0.96 -0.74 0.47 -0.87 0.00 0.00 176.83 176.64 1c3t n ASP 21 N -3.89 -2.52 -4.45 4.97 8.00 0.11 -4.66 116.55 114.13 1c3t n ASP 21 Ca -0.03 0.37 -0.26 0.00 0.71 0.00 0.00 54.79 55.57 1c3t n ASP 21 Cb 0.64 -1.14 -0.11 0.00 -0.02 0.00 0.00 41.12 40.49 1c3t n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c3t s THR 22 N -2.23 2.44 0.46 -3.53 -4.23 -1.26 -1.65 115.64 105.64 1c3t s THR 22 Ca 0.56 -2.09 0.32 0.00 -1.18 0.00 0.00 61.69 59.30 1c3t s THR 22 Cb -0.24 -2.20 0.52 0.00 1.34 0.00 0.00 72.50 71.92 1c3t s THR 22 CO 0.68 -0.18 1.63 0.58 -0.54 0.00 0.00 174.62 176.79 1c3t h VAL 23 N 2.96 0.14 0.78 2.29 2.07 -1.71 0.18 116.25 122.96 1c3t h VAL 23 Ca -0.45 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1c3t h VAL 23 Cb 1.22 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1c3t h VAL 23 CO 0.51 0.02 -0.39 -0.08 0.02 0.00 0.00 177.57 177.65 1c3t h GLU 24 N 0.08 -1.03 -0.49 1.57 4.22 -1.94 -2.23 114.58 114.77 1c3t h GLU 24 Ca 0.81 0.07 0.10 0.00 0.08 0.00 0.00 59.36 60.42 1c3t h GLU 24 Cb 2.65 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 32.05 1c3t h GLU 24 CO -0.35 -0.68 -0.09 -0.91 -2.18 0.00 0.00 179.01 174.80 1c3t h ASN 25 N -1.07 -0.39 -0.68 1.04 -0.26 -1.06 -0.39 115.58 112.78 1c3t h ASN 25 Ca -0.11 0.14 0.14 0.00 -0.56 0.00 0.00 56.30 55.92 1c3t h ASN 25 Cb 0.82 0.28 -0.11 0.00 -1.06 0.00 0.00 38.32 38.25 1c3t h ASN 25 CO 0.17 -0.14 0.08 0.25 -1.06 0.00 0.00 177.43 176.73 1c3t h LEU 26 N 0.03 -0.15 -0.69 1.61 5.85 -1.31 0.13 115.31 120.78 1c3t h LEU 26 Ca 0.24 0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.16 1c3t h LEU 26 Cb 0.36 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1c3t h LEU 26 CO -0.48 -0.08 0.40 0.11 -0.34 0.00 0.00 178.44 178.05 1c3t h LYS 27 N 0.18 0.72 -0.91 1.25 1.57 -0.47 -1.45 116.57 117.47 1c3t h LYS 27 Ca 0.37 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.23 1c3t h LYS 27 Cb 0.61 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 1c3t h LYS 27 CO -0.53 0.48 0.53 0.00 -0.57 0.00 0.00 179.45 179.37 1c3t h ALA 28 N 1.34 1.38 -0.62 3.86 0.00 -0.06 0.12 119.26 125.28 1c3t h ALA 28 Ca 0.30 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1c3t h ALA 28 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1c3t h ALA 28 CO -0.16 0.07 0.15 0.87 0.00 0.00 0.00 179.25 180.18 1c3t h LYS 29 N 0.81 0.99 0.00 0.00 1.79 -0.67 -0.94 116.57 118.55 1c3t h LYS 29 Ca 0.47 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1c3t h LYS 29 Cb 0.55 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1c3t h LYS 29 CO -0.30 0.90 0.00 0.82 -1.08 0.00 0.00 179.45 179.79 1c3t h ILE 30 N 0.91 0.00 0.00 1.86 2.04 -0.51 -1.12 117.51 120.69 1c3t h ILE 30 Ca 0.20 -0.37 -0.18 0.00 1.00 0.00 0.00 64.86 65.50 1c3t h ILE 30 Cb 0.35 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1c3t h ILE 30 CO 0.00 0.00 -1.44 1.67 0.00 0.00 0.00 178.15 178.38 1c3t n GLN 31 N -2.76 0.62 0.03 2.37 7.27 -0.14 0.19 117.38 124.96 1c3t n GLN 31 Ca 0.01 0.23 -0.11 0.00 0.07 0.00 0.00 57.00 57.20 1c3t n GLN 31 Cb 0.26 -1.81 -0.14 0.00 2.41 0.00 0.00 30.24 30.97 1c3t n GLN 31 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1c3t h ASP 32 N 0.00 0.15 0.00 1.69 3.58 -0.77 -2.72 116.42 118.35 1c3t h ASP 32 Ca -0.18 -0.22 -0.28 0.00 0.42 0.00 0.00 57.03 56.78 1c3t h ASP 32 Cb 1.63 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.59 1c3t h ASP 32 CO 0.05 1.19 -1.57 0.29 -2.88 0.00 0.00 179.24 176.32 1c3t n LYS 33 N -3.28 0.56 -0.13 0.28 4.01 -0.46 -4.74 118.16 114.40 1c3t n LYS 33 Ca -0.13 0.47 -0.25 0.00 -0.51 0.00 0.00 58.31 57.90 1c3t n LYS 33 Cb 1.02 -1.66 -0.11 0.00 -0.51 0.00 0.00 35.03 33.77 1c3t n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1c3t n GLU 34 N -4.40 0.62 -0.51 1.97 -0.58 -0.71 -5.04 120.64 111.99 1c3t n GLU 34 Ca -0.36 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1c3t n GLU 34 Cb 0.71 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c3t n GLY 35 N 1.63 1.25 3.70 0.62 0.00 0.50 -4.92 105.19 107.96 1c3t n GLY 35 Ca -0.50 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.13 5.24 0.28 -0.61 1.01 -0.94 -4.87 121.20 119.18 1c3t s ILE 36 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 1c3t s ILE 36 Cb 0.00 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.65 1c3t s ILE 36 CO 0.00 0.31 1.54 -2.65 0.00 0.00 0.00 174.94 174.14 1c3t n PRO 37 N 4.04 2.52 -0.33 2.79 -0.02 -1.26 -4.29 135.00 138.45 1c3t n PRO 37 Ca -0.10 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.38 1c3t n PRO 37 Cb 0.51 -2.64 0.30 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.54 0.83 -0.30 0.52 0.11 -1.94 -0.20 132.00 135.56 1c3t h PRO 38 Ca -0.47 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1c3t h PRO 38 Cb 1.24 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1c3t h PRO 38 CO 0.78 0.55 -0.00 0.22 -0.21 0.00 0.00 178.00 179.33 1c3t h ASP 39 N 0.86 0.42 -0.44 -2.05 1.82 -2.02 -1.47 116.42 113.55 1c3t h ASP 39 Ca 0.50 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1c3t h ASP 39 Cb 0.64 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1c3t h ASP 39 CO -0.26 0.49 0.00 0.00 -1.61 0.00 0.00 179.24 177.86 1c3t n GLN 40 N -4.30 2.05 -3.16 0.28 1.13 -0.16 -4.74 117.38 108.48 1c3t n GLN 40 Ca 0.01 -1.63 -0.46 0.00 -1.94 0.00 0.00 57.00 52.98 1c3t n GLN 40 Cb 0.23 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 1c3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1c3t s GLN 41 N -1.42 3.45 -0.75 -1.09 -0.21 -0.55 -3.16 119.66 115.93 1c3t s GLN 41 Ca 0.31 -1.97 -0.17 0.00 0.02 0.00 0.00 55.36 53.56 1c3t s GLN 41 Cb 0.16 -4.53 0.16 0.00 1.00 0.00 0.00 33.01 29.80 1c3t s GLN 41 CO 0.22 -1.49 0.80 0.50 -2.12 0.00 0.00 175.29 173.19 1c3t s ARG 42 N 1.54 3.37 -0.10 2.91 3.52 -0.50 -4.97 118.95 124.72 1c3t s ARG 42 Ca 0.20 -1.90 -0.20 0.00 -0.13 0.00 0.00 55.73 53.70 1c3t s ARG 42 Cb -0.13 -4.47 -0.04 0.00 -1.56 0.00 0.00 34.95 28.75 1c3t s ARG 42 CO -0.05 -1.47 0.57 -0.51 -0.81 0.00 0.00 175.30 173.03 1c3t s LEU 43 N 1.59 4.29 -0.39 -0.88 1.43 -1.26 0.38 118.68 123.83 1c3t s LEU 43 Ca 0.17 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1c3t s LEU 43 Cb -0.15 -2.85 0.12 0.00 0.03 0.00 0.00 46.19 43.33 1c3t s LEU 43 CO -0.03 -0.05 0.16 -0.63 0.23 0.00 0.00 176.35 176.03 1c3t s ILE 44 N 0.73 1.53 -0.21 -0.59 -1.09 -0.53 -0.89 121.20 120.15 1c3t s ILE 44 Ca 0.31 -2.25 -0.09 0.00 -2.23 0.00 0.00 60.65 56.39 1c3t s ILE 44 Cb -0.16 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1c3t s ILE 44 CO 0.13 -0.77 0.10 0.12 -1.23 0.00 0.00 174.94 173.30 1c3t s PHE 45 N 0.76 3.26 -1.34 3.97 5.36 0.07 -3.10 117.98 126.97 1c3t s PHE 45 Ca 0.14 0.08 -0.05 0.00 -0.96 0.00 0.00 56.93 56.14 1c3t s PHE 45 Cb -0.22 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.32 1c3t s PHE 45 CO -0.09 0.07 0.36 0.00 -1.46 0.00 0.00 175.22 174.10 1c3t n ALA 46 N 3.97 -0.93 0.00 11.12 0.00 -1.26 0.24 120.51 133.65 1c3t n ALA 46 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1c3t n ALA 46 Cb 0.52 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 -1.17 2.76 3.64 0.00 0.00 -1.26 -4.99 105.19 104.18 1c3t n GLY 47 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1c3t n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3t s LYS 48 N -0.10 4.14 -0.61 1.61 1.02 0.14 -5.02 119.74 120.92 1c3t s LYS 48 Ca 0.00 0.34 -0.28 0.00 0.02 0.00 0.00 55.97 56.05 1c3t s LYS 48 Cb 0.00 -3.60 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1c3t s LYS 48 CO 0.00 -0.22 1.31 -1.14 -0.92 0.00 0.00 175.35 174.38 1c3t s GLN 49 N 1.86 3.35 -0.31 1.68 0.74 -1.26 -0.75 119.66 124.98 1c3t s GLN 49 Ca 0.22 0.24 -0.43 0.00 0.05 0.00 0.00 55.36 55.44 1c3t s GLN 49 Cb -0.15 -4.10 -0.18 0.00 1.10 0.00 0.00 33.01 29.68 1c3t s GLN 49 CO 0.09 -1.89 1.58 1.28 -0.55 0.00 0.00 175.29 175.80 1c3t n LEU 50 N 9.15 1.60 -4.57 3.68 4.77 -0.07 -4.90 117.00 126.66 1c3t n LEU 50 Ca 0.09 1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 56.81 1c3t n LEU 50 Cb 0.49 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 1c3t n LEU 50 CO 0.71 -0.80 -0.04 -1.61 -1.33 0.00 0.00 177.39 174.32 1c3t s GLU 51 N 2.69 3.77 -0.38 3.23 2.02 -1.26 -4.72 118.70 124.04 1c3t s GLU 51 Ca 0.99 -0.32 -0.41 0.00 0.02 0.00 0.00 54.97 55.25 1c3t s GLU 51 Cb -1.25 -3.73 -0.16 0.00 0.10 0.00 0.00 34.13 29.08 1c3t s GLU 51 CO 0.70 -0.36 1.92 -0.40 0.02 0.00 0.00 175.26 177.14 1c3t n ASP 52 N 5.24 1.76 0.00 -0.19 5.68 -1.26 -1.56 116.55 126.22 1c3t n ASP 52 Ca -0.11 0.84 0.00 0.00 -0.50 0.00 0.00 54.79 55.02 1c3t n ASP 52 Cb 0.50 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c3t n GLY 53 N 5.52 1.16 3.90 6.12 0.00 -1.26 -5.02 105.19 115.60 1c3t n GLY 53 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 3.59 0.04 1.61 1.81 -0.60 -4.93 118.95 120.47 1c3t s ARG 54 Ca 0.00 -0.13 -0.17 0.00 -1.72 0.00 0.00 55.73 53.71 1c3t s ARG 54 Cb 0.00 -2.94 -0.06 0.00 -0.45 0.00 0.00 34.95 31.49 1c3t s ARG 54 CO 0.00 0.54 0.50 0.95 -0.68 0.00 0.00 175.30 176.60 1c3t s THR 55 N -1.53 4.88 0.41 0.02 -4.23 -1.26 -1.91 115.64 112.02 1c3t s THR 55 Ca 0.36 1.04 0.22 0.00 -1.18 0.00 0.00 61.69 62.14 1c3t s THR 55 Cb -0.13 -3.81 0.42 0.00 1.34 0.00 0.00 72.50 70.32 1c3t s THR 55 CO 0.23 0.56 1.71 -0.07 -0.54 0.00 0.00 174.62 176.51 1c3t h LEU 56 N 4.66 0.37 -1.22 4.79 3.38 -1.16 1.87 115.31 128.00 1c3t h LEU 56 Ca -0.50 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1c3t h LEU 56 Cb 1.22 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1c3t h LEU 56 CO 0.63 -0.03 0.00 0.77 0.09 0.00 0.00 178.44 179.90 1c3t h SER 57 N 0.27 0.00 1.64 -0.43 4.64 -1.19 -1.75 113.55 116.73 1c3t h SER 57 Ca 0.68 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.99 1c3t h SER 57 Cb 1.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1c3t h SER 57 CO -0.36 0.00 -0.06 0.44 -0.87 0.00 0.00 176.83 175.98 1c3t h ASP 58 N 0.00 0.00 -0.49 4.97 3.32 0.27 -3.13 116.42 121.36 1c3t h ASP 58 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1c3t h ASP 58 Cb 0.28 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.69 1c3t h ASP 58 CO 0.00 0.06 0.09 -1.22 -1.72 0.00 0.00 179.24 176.45 1c3t n TYR 59 N -3.13 1.54 -4.21 4.55 4.01 -0.67 -4.96 117.16 114.30 1c3t n TYR 59 Ca 0.03 -1.55 -0.39 0.00 -0.16 0.00 0.00 57.90 55.82 1c3t n TYR 59 Cb 0.49 -0.57 -0.04 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.01 -1.47 -4.65 7.72 6.94 -1.18 -4.85 115.26 116.75 1c3t n ASN 60 Ca 0.38 -1.29 -0.42 0.00 -0.02 0.00 0.00 54.58 53.22 1c3t n ASN 60 Cb 1.17 -1.63 -0.03 0.00 -2.36 0.00 0.00 39.78 36.93 1c3t n ASN 60 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1c3t s LEU 61 N -7.44 4.09 0.31 -4.53 1.43 -1.15 -5.04 118.68 106.34 1c3t s LEU 61 Ca 0.24 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.58 1c3t s LEU 61 Cb -0.13 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 1c3t s LEU 61 CO 0.99 -0.59 0.23 -1.10 0.23 0.00 0.00 176.35 176.11 1c3t s GLN 62 N 3.00 2.72 0.22 1.70 -0.21 -1.26 -4.88 119.66 120.95 1c3t s GLN 62 Ca 0.39 -1.26 -0.31 0.00 0.02 0.00 0.00 55.36 54.20 1c3t s GLN 62 Cb -0.15 -2.45 -0.15 0.00 1.00 0.00 0.00 33.01 31.26 1c3t s GLN 62 CO 0.07 0.20 1.07 1.17 -2.12 0.00 0.00 175.29 175.68 1c3t n LYS 63 N -1.27 1.19 -2.75 2.91 4.81 -1.26 -3.85 118.16 117.94 1c3t n LYS 63 Ca -0.04 0.42 -0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1c3t n LYS 63 Cb 0.59 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1c3t n LYS 63 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1c3t n GLU 64 N 1.31 -3.32 -4.26 1.64 0.00 -0.27 -4.98 120.64 110.76 1c3t n GLU 64 Ca 0.13 2.69 -0.19 0.00 0.00 0.00 0.00 57.16 59.79 1c3t n GLU 64 Cb 0.28 -5.14 -0.11 0.00 0.00 0.00 0.00 31.44 26.47 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1c3t s SER 65 N -1.61 2.14 -0.24 4.31 0.01 -1.25 -4.98 113.70 112.08 1c3t s SER 65 Ca 0.00 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 1c3t s SER 65 Cb -0.00 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 1c3t s SER 65 CO 0.74 -0.13 0.00 -0.89 0.41 0.00 0.00 173.24 173.37 1c3t s THR 66 N -2.20 3.71 -0.07 1.44 2.01 -1.26 -1.54 115.64 117.73 1c3t s THR 66 Ca 0.11 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1c3t s THR 66 Cb -0.05 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1c3t s THR 66 CO 0.04 0.35 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.46 1c3t s ILE 67 N 1.52 1.93 -0.46 1.82 1.01 -1.13 -4.74 121.20 121.15 1c3t s ILE 67 Ca 0.05 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 1c3t s ILE 67 Cb -0.15 -1.65 0.04 0.00 0.01 0.00 0.00 42.46 40.71 1c3t s ILE 67 CO -0.01 0.54 0.53 -1.00 0.00 0.00 0.00 174.94 175.00 1c3t s HIS 68 N 0.08 3.12 -0.15 3.97 3.76 -1.18 -1.45 115.29 123.44 1c3t s HIS 68 Ca -0.10 -0.43 -0.16 0.00 -0.15 0.00 0.00 55.06 54.22 1c3t s HIS 68 Cb -0.15 -3.20 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 1c3t s HIS 68 CO 0.05 -0.85 0.39 -1.17 -0.85 0.00 0.00 174.74 172.32 1c3t s LEU 69 N 2.36 4.24 -0.05 0.89 1.98 0.10 -1.45 118.68 126.75 1c3t s LEU 69 Ca 0.14 0.64 0.05 0.00 -2.89 0.00 0.00 54.13 52.07 1c3t s LEU 69 Cb -0.18 -2.54 -0.01 0.00 0.66 0.00 0.00 46.19 44.13 1c3t s LEU 69 CO 0.13 0.02 -0.22 0.68 -1.89 0.00 0.00 176.35 175.07 1c3t s VAL 70 N 0.71 1.81 0.12 1.68 -7.23 0.16 -3.33 120.40 114.32 1c3t s VAL 70 Ca 0.21 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 1c3t s VAL 70 Cb -0.14 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1c3t s VAL 70 CO 0.07 0.51 0.99 -0.76 -0.31 0.00 0.00 175.10 175.61 1c3t s LEU 71 N -0.10 4.49 -0.36 1.32 2.01 -1.26 -1.41 118.68 123.38 1c3t s LEU 71 Ca -0.03 1.85 -0.16 0.00 0.01 0.00 0.00 54.13 55.80 1c3t s LEU 71 Cb -0.13 -3.59 -0.17 0.00 0.01 0.00 0.00 46.19 42.31 1c3t s LEU 71 CO 0.03 -0.11 1.61 -1.14 1.01 0.00 0.00 176.35 177.76 1c3t n ARG 72 N 2.76 0.75 -2.22 1.70 0.63 -1.19 -4.23 116.66 114.85 1c3t n ARG 72 Ca 0.03 -1.16 -0.00 0.00 -0.92 0.00 0.00 57.85 55.79 1c3t n ARG 72 Cb 0.49 -2.47 -0.00 0.00 0.45 0.00 0.00 32.46 30.93 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 6.73 -5.48 -4.09 6.15 4.77 -1.26 -4.84 117.00 118.98 1c3t n LEU 73 Ca 0.35 0.92 -0.52 0.00 -0.03 0.00 0.00 56.01 56.73 1c3t n LEU 73 Cb 0.26 -2.40 -0.07 0.00 -2.33 0.00 0.00 43.42 38.88 1c3t n LEU 73 CO 0.89 -1.99 0.43 -1.14 -1.33 0.00 0.00 177.39 174.26 1c3t n ARG 74 N 0.49 0.00 0.00 3.23 0.00 -1.26 -4.82 116.66 114.30 1c3t n ARG 74 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1c3t n ARG 74 Cb 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.21 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1c3t n GLY 75 N 1.44 4.37 0.00 5.14 0.00 -1.26 -5.21 105.19 109.68 1c3t n GLY 75 Ca 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93