#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 3.51 -0.07 2.12 1.11 -1.26 -1.50 119.66 123.56 1c3t s GLN 2 Ca 0.00 0.15 -0.08 0.00 0.01 0.00 0.00 55.36 55.45 1c3t s GLN 2 Cb 0.00 -2.39 0.02 0.00 -1.01 0.00 0.00 33.01 29.63 1c3t s GLN 2 CO 0.00 -0.21 0.21 -0.51 0.01 0.00 0.00 175.29 174.79 1c3t s LEU 3 N -4.73 1.20 -0.22 2.90 1.43 -0.34 -1.24 118.68 117.68 1c3t s LEU 3 Ca 0.47 0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 1c3t s LEU 3 Cb -0.10 0.74 -0.04 0.00 0.03 0.00 0.00 46.19 46.81 1c3t s LEU 3 CO 0.44 -0.10 0.11 -0.36 0.23 0.00 0.00 176.35 176.67 1c3t s PHE 4 N -0.00 3.26 -0.37 0.29 0.40 -0.42 -1.82 117.98 119.32 1c3t s PHE 4 Ca -0.01 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1c3t s PHE 4 Cb -0.02 -2.19 0.11 0.00 0.51 0.00 0.00 43.02 41.43 1c3t s PHE 4 CO 0.00 0.05 0.10 0.08 0.70 0.00 0.00 175.22 176.16 1c3t s VAL 5 N 0.84 2.51 -0.01 -0.44 1.01 0.45 -1.14 120.40 123.62 1c3t s VAL 5 Ca 0.06 -2.38 -0.14 0.00 0.00 0.00 0.00 61.98 59.52 1c3t s VAL 5 Cb -0.13 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 1c3t s VAL 5 CO 0.02 -0.64 0.39 -1.59 0.00 0.00 0.00 175.10 173.29 1c3t s LYS 6 N 0.84 3.89 0.00 2.72 -2.85 -0.72 -1.17 119.74 122.45 1c3t s LYS 6 Ca 0.11 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 1c3t s LYS 6 Cb -0.20 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1c3t s LYS 6 CO -0.07 0.69 0.00 0.25 0.10 0.00 0.00 175.35 176.32 1c3t n THR 7 N 1.88 0.00 0.81 3.79 -2.24 -1.04 0.24 114.28 117.72 1c3t n THR 7 Ca -0.14 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1c3t n THR 7 Cb 0.52 -1.01 0.43 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.44 -0.02 3.22 4.77 -1.22 -3.51 117.00 120.68 1c3t n LEU 8 Ca 0.00 0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1c3t n LEU 8 Cb 0.00 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 1c3t n LEU 8 CO 0.00 -0.05 -0.55 0.35 -1.33 0.00 0.00 177.39 175.81 1c3t n THR 9 N -1.84 1.61 0.00 -5.08 -2.24 -1.26 -4.98 114.28 100.48 1c3t n THR 9 Ca 0.06 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1c3t n THR 9 Cb 0.38 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 1.57 1.62 3.53 3.38 0.00 -1.23 -5.09 105.19 108.96 1c3t n GLY 10 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1c3t n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3t s LYS 11 N -0.08 3.34 -0.35 1.61 1.02 -1.26 -4.85 119.74 119.17 1c3t s LYS 11 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.58 1c3t s LYS 11 Cb 0.00 -3.94 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 1c3t s LYS 11 CO 0.00 -1.04 0.32 0.99 -0.92 0.00 0.00 175.35 174.70 1c3t s THR 12 N 2.98 5.21 -0.12 2.17 2.01 -1.26 -2.51 115.64 124.13 1c3t s THR 12 Ca 0.25 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 1c3t s THR 12 Cb -0.13 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1c3t s THR 12 CO 0.20 -0.09 0.33 -0.76 -0.69 0.00 0.00 174.62 173.61 1c3t s LEU 13 N 1.90 4.31 -0.56 4.42 2.01 -0.32 -4.80 118.68 125.64 1c3t s LEU 13 Ca 0.09 0.64 -0.08 0.00 0.01 0.00 0.00 54.13 54.80 1c3t s LEU 13 Cb -0.17 -2.44 0.14 0.00 0.01 0.00 0.00 46.19 43.74 1c3t s LEU 13 CO 0.11 0.16 0.42 -0.89 1.01 0.00 0.00 176.35 177.16 1c3t s THR 14 N 0.05 4.23 0.25 5.49 2.01 -1.26 -0.41 115.64 126.00 1c3t s THR 14 Ca 0.19 -2.20 0.04 0.00 0.31 0.00 0.00 61.69 60.03 1c3t s THR 14 Cb -0.14 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1c3t s THR 14 CO 0.07 -0.83 0.39 0.68 -0.69 0.00 0.00 174.62 174.23 1c3t s VAL 15 N 0.81 5.24 -0.26 3.82 -7.23 -0.76 -4.88 120.40 117.14 1c3t s VAL 15 Ca 0.11 -0.89 -0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1c3t s VAL 15 Cb -0.22 -3.85 0.04 0.00 0.56 0.00 0.00 36.38 32.91 1c3t s VAL 15 CO -0.03 -0.35 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.73 1c3t s GLU 16 N -3.99 2.57 0.32 4.82 8.01 -1.26 -1.20 118.70 127.97 1c3t s GLU 16 Ca 0.35 -1.15 0.01 0.00 0.01 0.00 0.00 54.97 54.19 1c3t s GLU 16 Cb -0.09 -2.98 -0.01 0.00 -4.31 0.00 0.00 34.13 26.73 1c3t s GLU 16 CO 0.30 -0.49 0.38 -0.51 0.01 0.00 0.00 175.26 174.94 1c3t s LEU 17 N 1.24 1.26 0.20 1.80 1.43 -0.56 -4.98 118.68 119.08 1c3t s LEU 17 Ca -0.03 -1.56 0.08 0.00 -1.03 0.00 0.00 54.13 51.59 1c3t s LEU 17 Cb -0.18 1.06 -0.04 0.00 0.03 0.00 0.00 46.19 47.06 1c3t s LEU 17 CO -0.04 -1.17 0.00 -1.61 0.23 0.00 0.00 176.35 173.76 1c3t s GLU 18 N -3.32 2.37 0.63 1.70 0.41 -1.26 -2.74 118.70 116.49 1c3t s GLU 18 Ca 0.35 -1.20 0.35 0.00 -0.41 0.00 0.00 54.97 54.05 1c3t s GLU 18 Cb 0.01 -2.30 1.96 0.00 -1.78 0.00 0.00 34.13 32.02 1c3t s GLU 18 CO 0.22 0.43 2.21 -1.00 -0.49 0.00 0.00 175.26 176.63 1c3t h PRO 19 N 2.45 0.00 -0.02 0.39 0.13 -1.94 -0.92 132.00 132.09 1c3t h PRO 19 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 1c3t h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c3t h PRO 19 CO 0.58 0.00 -0.89 0.66 -0.23 0.00 0.00 178.00 178.12 1c3t h SER 20 N 0.00 0.54 -2.57 1.44 4.64 -1.96 0.49 113.55 116.12 1c3t h SER 20 Ca 0.02 -0.41 -0.59 0.00 -0.47 0.00 0.00 61.79 60.34 1c3t h SER 20 Cb 0.22 -0.16 0.17 0.00 -0.31 0.00 0.00 62.40 62.32 1c3t h SER 20 CO -0.00 1.20 -0.59 0.47 -0.87 0.00 0.00 176.83 177.03 1c3t n ASP 21 N -3.77 -1.68 -4.95 4.97 9.92 -0.35 -4.62 116.55 116.06 1c3t n ASP 21 Ca -0.06 0.75 -0.24 0.00 -0.53 0.00 0.00 54.79 54.71 1c3t n ASP 21 Cb 0.80 -1.08 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 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 -1.74 5.28 0.46 -3.53 -4.23 -1.26 -1.91 115.64 108.71 1c3t s THR 22 Ca 0.65 -0.77 0.29 0.00 -1.18 0.00 0.00 61.69 60.68 1c3t s THR 22 Cb -0.49 -3.80 0.48 0.00 1.34 0.00 0.00 72.50 70.03 1c3t s THR 22 CO 0.58 -0.22 1.75 0.58 -0.54 0.00 0.00 174.62 176.77 1c3t h VAL 23 N 1.39 0.38 0.08 2.29 2.07 -1.73 0.20 116.25 120.93 1c3t h VAL 23 Ca -0.50 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1c3t h VAL 23 Cb 1.21 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1c3t h VAL 23 CO 0.65 0.03 -0.09 -0.33 0.02 0.00 0.00 177.57 177.85 1c3t h GLU 24 N 0.18 -0.19 -0.38 1.57 5.08 -1.94 0.06 114.58 118.97 1c3t h GLU 24 Ca 0.64 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.08 1c3t h GLU 24 Cb 2.09 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.33 1c3t h GLU 24 CO -0.20 -0.13 0.06 -0.91 -1.00 0.00 0.00 179.01 176.83 1c3t h ASN 25 N -0.20 -0.02 0.21 1.42 -0.26 -1.00 0.33 115.58 116.06 1c3t h ASN 25 Ca 0.01 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1c3t h ASN 25 Cb 0.20 0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1c3t h ASN 25 CO -0.04 0.02 -0.28 0.25 -1.06 0.00 0.00 177.43 176.33 1c3t h LEU 26 N 0.18 -0.78 -0.95 1.61 5.85 -1.13 -1.81 115.31 118.27 1c3t h LEU 26 Ca 0.18 0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.13 1c3t h LEU 26 Cb 0.22 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 1c3t h LEU 26 CO -0.25 -0.39 0.56 0.11 -0.34 0.00 0.00 178.44 178.13 1c3t h LYS 27 N -0.55 0.78 -0.56 1.25 1.57 -0.56 -0.28 116.57 118.22 1c3t h LYS 27 Ca 0.01 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1c3t h LYS 27 Cb 0.54 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 1c3t h LYS 27 CO -0.11 0.51 0.21 0.00 -0.57 0.00 0.00 179.45 179.50 1c3t h ALA 28 N 1.58 0.71 -0.52 3.86 0.00 -0.13 0.45 119.26 125.20 1c3t h ALA 28 Ca 0.51 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.53 1c3t h ALA 28 Cb 0.67 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1c3t h ALA 28 CO -0.33 -0.19 0.27 0.87 0.00 0.00 0.00 179.25 179.87 1c3t h LYS 29 N 0.40 0.51 0.00 0.00 6.56 -0.43 0.60 116.57 124.21 1c3t h LYS 29 Ca 0.27 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1c3t h LYS 29 Cb 0.31 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1c3t h LYS 29 CO -0.27 0.34 0.00 0.82 -2.06 0.00 0.00 179.45 178.28 1c3t h ILE 30 N 0.53 0.00 0.07 1.86 2.04 -0.87 -1.39 117.51 119.76 1c3t h ILE 30 Ca 0.23 -0.34 -0.34 0.00 1.00 0.00 0.00 64.86 65.41 1c3t h ILE 30 Cb 0.12 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1c3t h ILE 30 CO -0.15 0.00 -1.88 1.67 0.00 0.00 0.00 178.15 177.79 1c3t n GLN 31 N -2.77 0.71 -0.08 2.37 7.27 0.09 -1.54 117.38 123.43 1c3t n GLN 31 Ca 0.01 0.28 0.09 0.00 0.07 0.00 0.00 57.00 57.44 1c3t n GLN 31 Cb 0.24 -1.74 0.35 0.00 2.41 0.00 0.00 30.24 31.49 1c3t n GLN 31 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1c3t n ASP 32 N -3.30 1.41 0.00 1.69 -0.08 0.19 -1.68 116.55 114.77 1c3t n ASP 32 Ca -0.26 -1.73 0.00 0.00 -1.51 0.00 0.00 54.79 51.29 1c3t n ASP 32 Cb 1.05 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.40 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1c3t n LYS 33 N 0.18 0.00 -0.00 -0.67 5.02 -0.55 -4.84 118.16 117.30 1c3t n LYS 33 Ca 0.14 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.52 1c3t n LYS 33 Cb 0.28 -0.34 -0.10 0.00 -0.02 0.00 0.00 35.03 34.85 1c3t n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1c3t n GLU 34 N -2.83 1.10 -2.38 1.97 -0.58 -0.59 -4.99 120.64 112.35 1c3t n GLU 34 Ca 0.00 -0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.62 1c3t n GLU 34 Cb 0.33 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 1.42 0.03 3.67 0.62 0.00 -0.68 -4.95 105.19 105.30 1c3t n GLY 35 Ca 0.03 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.64 5.35 0.28 -0.61 1.01 -0.97 -4.92 121.20 118.70 1c3t s ILE 36 Ca 0.06 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.61 1c3t s ILE 36 Cb -0.03 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 1c3t s ILE 36 CO 0.08 0.36 0.95 -2.16 0.00 0.00 0.00 174.94 174.17 1c3t s PRO 37 N 0.92 4.71 0.64 2.79 0.04 -1.26 -3.64 135.00 139.20 1c3t s PRO 37 Ca 0.07 1.42 0.28 0.00 0.04 0.00 0.00 61.00 62.82 1c3t s PRO 37 Cb -0.13 -3.03 1.49 0.00 0.04 0.00 0.00 34.50 32.87 1c3t s PRO 37 CO 0.03 0.38 1.87 -1.35 0.04 0.00 0.00 177.00 177.97 1c3t h PRO 38 N 3.64 0.00 -0.18 0.56 0.11 -1.90 -0.98 132.00 133.26 1c3t h PRO 38 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1c3t h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1c3t h PRO 38 CO 0.66 0.00 0.06 -0.44 -0.21 0.00 0.00 178.00 178.07 1c3t h ASP 39 N 0.00 0.26 -0.04 -2.05 5.19 -2.02 -2.92 116.42 114.84 1c3t h ASP 39 Ca 0.09 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1c3t h ASP 39 Cb 0.94 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1c3t h ASP 39 CO -0.00 0.39 0.00 0.00 -3.12 0.00 0.00 179.24 176.51 1c3t n GLN 40 N -4.82 1.90 -2.98 3.56 6.02 -0.46 -4.78 117.38 115.82 1c3t n GLN 40 Ca -0.04 -1.32 -0.43 0.00 -0.01 0.00 0.00 57.00 55.20 1c3t n GLN 40 Cb 0.15 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 1c3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1c3t s GLN 41 N -1.97 3.26 -0.40 -1.09 -0.21 -0.68 -3.34 119.66 115.24 1c3t s GLN 41 Ca 0.35 -0.47 -0.05 0.00 0.02 0.00 0.00 55.36 55.21 1c3t s GLN 41 Cb 0.21 -4.05 0.09 0.00 1.00 0.00 0.00 33.01 30.26 1c3t s GLN 41 CO 0.32 -1.31 0.20 1.03 -2.12 0.00 0.00 175.29 173.41 1c3t s ARG 42 N 3.32 2.29 -0.15 2.91 0.52 -0.63 -4.89 118.95 122.34 1c3t s ARG 42 Ca 0.24 -1.62 -0.20 0.00 -0.52 0.00 0.00 55.73 53.64 1c3t s ARG 42 Cb -0.15 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 1c3t s ARG 42 CO 0.17 -0.98 0.57 -0.51 0.02 0.00 0.00 175.30 174.57 1c3t s LEU 43 N 1.26 4.22 -0.33 2.53 1.43 -1.26 0.07 118.68 126.61 1c3t s LEU 43 Ca 0.04 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1c3t s LEU 43 Cb -0.23 -2.82 0.10 0.00 0.03 0.00 0.00 46.19 43.27 1c3t s LEU 43 CO -0.01 -0.13 0.08 -0.63 0.23 0.00 0.00 176.35 175.88 1c3t s ILE 44 N 1.20 1.56 -0.27 -0.59 -1.09 -0.25 -1.34 121.20 120.43 1c3t s ILE 44 Ca 0.29 -1.88 -0.11 0.00 -2.23 0.00 0.00 60.65 56.71 1c3t s ILE 44 Cb -0.16 -2.16 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 1c3t s ILE 44 CO 0.12 -0.64 0.21 0.12 -1.23 0.00 0.00 174.94 173.51 1c3t s PHE 45 N 1.25 3.24 -1.13 3.97 5.36 0.51 -1.97 117.98 129.21 1c3t s PHE 45 Ca 0.11 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1c3t s PHE 45 Cb -0.18 -2.39 0.01 0.00 -0.34 0.00 0.00 43.02 40.12 1c3t s PHE 45 CO -0.17 -0.12 0.07 0.00 -1.46 0.00 0.00 175.22 173.54 1c3t n ALA 46 N 4.94 -0.81 -0.96 11.12 0.00 -1.26 0.03 120.51 133.57 1c3t n ALA 46 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1c3t n ALA 46 Cb 0.52 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.88 0.57 3.12 0.00 0.00 -1.26 -5.05 105.19 101.70 1c3t n GLY 47 Ca -0.14 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.98 2.82 -0.39 1.61 -0.14 0.11 -5.10 119.74 116.67 1c3t s LYS 48 Ca 0.00 -0.77 -0.26 0.00 -1.36 0.00 0.00 55.97 53.58 1c3t s LYS 48 Cb 0.00 -2.36 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 1c3t s LYS 48 CO 0.00 -0.10 0.92 -1.14 -0.76 0.00 0.00 175.35 174.27 1c3t s GLN 49 N 1.04 3.75 0.54 1.68 0.74 -1.26 -0.36 119.66 125.79 1c3t s GLN 49 Ca -0.02 0.45 -0.20 0.00 0.05 0.00 0.00 55.36 55.63 1c3t s GLN 49 Cb -0.14 -3.84 -0.05 0.00 1.10 0.00 0.00 33.01 30.08 1c3t s GLN 49 CO -0.06 -1.02 1.21 -0.51 -0.55 0.00 0.00 175.29 174.36 1c3t s LEU 50 N 3.54 3.80 -0.04 3.68 1.43 -0.45 -5.02 118.68 125.63 1c3t s LEU 50 Ca 0.38 2.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1c3t s LEU 50 Cb -0.11 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.66 1c3t s LEU 50 CO 0.21 -1.35 -0.13 -1.61 0.23 0.00 0.00 176.35 173.70 1c3t s GLU 51 N -3.08 1.45 -0.35 1.70 8.01 -1.26 -4.74 118.70 120.43 1c3t s GLU 51 Ca 0.72 -0.44 -0.39 0.00 0.01 0.00 0.00 54.97 54.87 1c3t s GLU 51 Cb -0.31 -1.27 -0.15 0.00 -4.31 0.00 0.00 34.13 28.10 1c3t s GLU 51 CO 0.35 0.14 1.98 -3.47 0.01 0.00 0.00 175.26 174.26 1c3t n ASP 52 N 3.38 1.98 0.00 -0.19 2.03 -1.26 -1.97 116.55 120.51 1c3t n ASP 52 Ca -0.19 0.76 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1c3t n ASP 52 Cb 0.53 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c3t n GLY 53 N 5.64 1.25 3.87 0.27 0.00 -1.26 -5.07 105.19 109.89 1c3t n GLY 53 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 3.85 0.39 1.61 0.52 -0.83 -4.94 118.95 119.54 1c3t s ARG 54 Ca 0.00 0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 55.49 1c3t s ARG 54 Cb 0.00 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1c3t s ARG 54 CO 0.00 0.37 0.67 0.95 0.02 0.00 0.00 175.30 177.31 1c3t s THR 55 N -1.70 4.97 0.21 0.02 -4.23 -1.26 -1.97 115.64 111.67 1c3t s THR 55 Ca 0.44 0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1c3t s THR 55 Cb -0.12 -3.81 0.15 0.00 1.34 0.00 0.00 72.50 70.06 1c3t s THR 55 CO 0.20 -0.58 1.87 -0.07 -0.54 0.00 0.00 174.62 175.50 1c3t h LEU 56 N 0.92 0.81 -1.64 4.79 3.38 -1.41 -1.75 115.31 120.41 1c3t h LEU 56 Ca -0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1c3t h LEU 56 Cb 1.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1c3t h LEU 56 CO 0.63 0.58 0.09 -1.28 0.09 0.00 0.00 178.44 178.55 1c3t h SER 57 N 0.96 0.28 -0.21 -0.43 0.87 -1.15 -1.51 113.55 112.36 1c3t h SER 57 Ca 0.28 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1c3t h SER 57 Cb -0.06 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1c3t h SER 57 CO -0.08 0.27 0.15 0.44 -0.53 0.00 0.00 176.83 177.08 1c3t h ASP 58 N 0.32 0.00 -0.46 6.23 3.32 -1.58 0.10 116.42 124.36 1c3t h ASP 58 Ca 0.08 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1c3t h ASP 58 Cb 0.08 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1c3t h ASP 58 CO -0.01 0.00 0.14 -1.22 -1.72 0.00 0.00 179.24 176.43 1c3t n TYR 59 N -4.44 1.55 -4.36 4.55 4.01 -0.57 -4.89 117.16 113.00 1c3t n TYR 59 Ca 0.02 -0.75 -0.38 0.00 -0.16 0.00 0.00 57.90 56.63 1c3t n TYR 59 Cb 0.29 -0.47 -0.06 0.00 -0.31 0.00 0.00 39.34 38.79 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 0.10 -1.84 -4.69 7.72 6.94 0.36 -4.84 115.26 119.01 1c3t n ASN 60 Ca 0.24 -1.15 -0.42 0.00 -0.02 0.00 0.00 54.58 53.23 1c3t n ASN 60 Cb 0.99 -2.11 -0.03 0.00 -2.36 0.00 0.00 39.78 36.28 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 -7.26 4.28 0.00 -4.53 1.43 -1.21 -5.03 118.68 106.37 1c3t s LEU 61 Ca 0.63 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 1c3t s LEU 61 Cb -0.36 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.37 1c3t s LEU 61 CO 0.98 -0.58 0.46 0.00 0.23 0.00 0.00 176.35 177.43 1c3t n GLN 62 N 5.15 0.49 -2.31 1.70 3.00 -1.26 -4.84 117.38 119.31 1c3t n GLN 62 Ca 0.11 -1.45 -0.41 0.00 -0.01 0.00 0.00 57.00 55.24 1c3t n GLN 62 Cb 0.46 -0.24 -0.03 0.00 0.00 0.00 0.00 30.24 30.43 1c3t n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1c3t s LYS 63 N -3.56 4.50 -0.85 -1.09 2.20 -1.26 -3.89 119.74 115.80 1c3t s LYS 63 Ca 0.32 1.98 -0.04 0.00 -0.36 0.00 0.00 55.97 57.87 1c3t s LYS 63 Cb -0.02 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1c3t s LYS 63 CO 0.21 -0.00 0.68 0.39 -0.36 0.00 0.00 175.35 176.27 1c3t n GLU 64 N 1.31 -1.40 -2.64 4.03 1.02 -0.37 -4.99 120.64 117.60 1c3t n GLU 64 Ca 0.00 1.02 -0.22 0.00 -0.02 0.00 0.00 57.16 57.94 1c3t n GLU 64 Cb 0.43 -4.08 0.08 0.00 -0.02 0.00 0.00 31.44 27.86 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 -3.08 4.77 -0.31 1.62 0.01 -1.25 -4.84 113.70 110.62 1c3t s SER 65 Ca 0.09 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1c3t s SER 65 Cb -0.03 -0.33 0.09 0.00 0.21 0.00 0.00 66.02 65.96 1c3t s SER 65 CO 0.83 -1.54 0.05 -0.89 0.41 0.00 0.00 173.24 172.10 1c3t s THR 66 N -2.96 1.50 0.03 1.44 2.01 -1.26 -1.30 115.64 115.10 1c3t s THR 66 Ca 0.62 -1.71 -0.04 0.00 0.31 0.00 0.00 61.69 60.87 1c3t s THR 66 Cb -0.07 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1c3t s THR 66 CO 0.42 -0.55 0.24 -0.63 -0.69 0.00 0.00 174.62 173.42 1c3t s ILE 67 N 1.32 5.34 -0.39 1.82 1.01 -0.29 -4.67 121.20 125.34 1c3t s ILE 67 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1c3t s ILE 67 Cb -0.18 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1c3t s ILE 67 CO -0.15 0.28 0.26 -1.00 0.00 0.00 0.00 174.94 174.33 1c3t s HIS 68 N -1.38 3.24 -0.34 3.97 3.76 -0.83 -1.75 115.29 121.95 1c3t s HIS 68 Ca 0.30 -0.71 -0.23 0.00 -0.15 0.00 0.00 55.06 54.27 1c3t s HIS 68 Cb -0.13 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.05 1c3t s HIS 68 CO 0.20 -0.60 0.75 -1.17 -0.85 0.00 0.00 174.74 173.07 1c3t s LEU 69 N 1.63 4.14 0.11 0.89 0.20 0.14 -1.09 118.68 124.70 1c3t s LEU 69 Ca 0.04 0.40 0.06 0.00 0.69 0.00 0.00 54.13 55.32 1c3t s LEU 69 Cb -0.19 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 42.55 1c3t s LEU 69 CO 0.09 -0.66 -0.01 -0.69 -0.29 0.00 0.00 176.35 174.79 1c3t s VAL 70 N 2.96 3.88 -0.21 1.68 1.01 0.11 -3.44 120.40 126.38 1c3t s VAL 70 Ca 0.30 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1c3t s VAL 70 Cb -0.14 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1c3t s VAL 70 CO 0.15 0.08 0.29 -0.76 0.00 0.00 0.00 175.10 174.85 1c3t s LEU 71 N -2.41 4.15 0.40 3.92 2.01 -1.26 -1.60 118.68 123.89 1c3t s LEU 71 Ca 0.25 0.35 -0.14 0.00 0.01 0.00 0.00 54.13 54.61 1c3t s LEU 71 Cb -0.11 -2.33 -0.12 0.00 0.01 0.00 0.00 46.19 43.64 1c3t s LEU 71 CO 0.18 0.01 -0.11 0.54 1.01 0.00 0.00 176.35 177.97 1c3t n ARG 72 N 4.25 0.00 -0.96 1.70 1.74 -1.21 -4.67 116.66 117.51 1c3t n ARG 72 Ca -0.12 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 1c3t n ARG 72 Cb 0.52 -0.78 -0.00 0.00 -1.02 0.00 0.00 32.46 31.18 1c3t n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1c3t n LEU 73 N 1.97 -2.04 0.00 0.55 -0.00 -1.26 -4.98 117.00 111.24 1c3t n LEU 73 Ca 0.06 0.61 -0.19 0.00 -0.00 0.00 0.00 56.01 56.49 1c3t n LEU 73 Cb 0.37 -0.65 -0.07 0.00 -0.00 0.00 0.00 43.42 43.06 1c3t n LEU 73 CO 0.42 -3.03 -0.09 -2.11 -0.00 0.00 0.00 177.39 172.57 1c3t n ARG 74 N 0.97 0.39 -3.37 1.47 0.00 -1.26 -4.97 116.66 109.89 1c3t n ARG 74 Ca 0.09 -3.16 -0.17 0.00 -0.00 0.00 0.00 57.85 54.61 1c3t n ARG 74 Cb 0.29 2.58 0.04 0.00 -0.00 0.00 0.00 32.46 35.37 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 -0.60 -1.15 0.95 2.89 0.00 -1.26 -5.28 105.19 100.74 1c3t n GLY 75 Ca 0.07 0.52 0.12 0.00 0.00 0.00 0.00 46.02 46.73 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93