#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 3.34 0.32 2.12 0.74 -1.26 -1.89 119.66 123.03 1c3t s GLN 2 Ca 0.00 -0.31 0.08 0.00 0.05 0.00 0.00 55.36 55.19 1c3t s GLN 2 Cb 0.00 -3.93 -0.04 0.00 1.10 0.00 0.00 33.01 30.14 1c3t s GLN 2 CO 0.00 -0.96 0.12 -0.51 -0.55 0.00 0.00 175.29 173.38 1c3t s LEU 3 N 2.80 3.27 0.29 3.68 1.43 -0.72 0.13 118.68 129.56 1c3t s LEU 3 Ca 0.23 -0.73 0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1c3t s LEU 3 Cb -0.14 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1c3t s LEU 3 CO 0.18 -0.23 -0.16 -0.36 0.23 0.00 0.00 176.35 176.01 1c3t s PHE 4 N -2.39 2.35 -0.32 0.29 0.08 0.59 -1.64 117.98 116.94 1c3t s PHE 4 Ca 0.36 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1c3t s PHE 4 Cb -0.03 -1.08 0.15 0.00 -0.57 0.00 0.00 43.02 41.49 1c3t s PHE 4 CO 0.22 0.69 0.36 0.08 -0.10 0.00 0.00 175.22 176.46 1c3t s VAL 5 N -2.50 -0.46 0.39 -0.44 1.01 0.12 -2.90 120.40 115.63 1c3t s VAL 5 Ca 0.31 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1c3t s VAL 5 Cb -0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1c3t s VAL 5 CO 0.16 -0.44 0.68 -1.59 0.00 0.00 0.00 175.10 173.90 1c3t s LYS 6 N 2.12 3.59 0.00 2.72 -2.85 0.32 -0.41 119.74 125.24 1c3t s LYS 6 Ca 0.12 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1c3t s LYS 6 Cb -0.14 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1c3t s LYS 6 CO -0.23 0.00 0.00 0.25 0.10 0.00 0.00 175.35 175.47 1c3t n THR 7 N -1.68 0.00 1.45 3.79 -2.24 -0.51 -0.05 114.28 115.03 1c3t n THR 7 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1c3t n THR 7 Cb 0.55 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.20 -0.93 3.22 4.77 -1.25 -3.48 117.00 120.52 1c3t n LEU 8 Ca 0.00 -0.50 0.08 0.00 -0.03 0.00 0.00 56.01 55.56 1c3t n LEU 8 Cb 0.00 -0.07 0.24 0.00 -2.33 0.00 0.00 43.42 41.25 1c3t n LEU 8 CO 0.00 0.25 0.70 0.35 -1.33 0.00 0.00 177.39 177.36 1c3t n THR 9 N 0.01 1.68 -1.03 -5.08 -2.24 -1.26 -4.93 114.28 101.43 1c3t n THR 9 Ca 0.16 -1.39 -0.01 0.00 -2.27 0.00 0.00 64.05 60.54 1c3t n THR 9 Cb 0.26 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.23 0.38 3.66 3.38 0.00 -1.23 -4.98 105.19 106.64 1c3t n GLY 10 Ca 0.18 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.11 4.23 -0.32 1.61 2.20 -1.26 -4.90 119.74 120.18 1c3t s LYS 11 Ca 0.00 0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 56.31 1c3t s LYS 11 Cb 0.00 -3.59 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1c3t s LYS 11 CO 0.00 -0.32 0.15 0.99 -0.36 0.00 0.00 175.35 175.81 1c3t s THR 12 N 2.17 4.55 0.33 3.43 2.01 -1.26 -1.43 115.64 125.44 1c3t s THR 12 Ca 0.33 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1c3t s THR 12 Cb -0.16 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1c3t s THR 12 CO 0.10 0.03 0.51 -0.22 -0.69 0.00 0.00 174.62 174.35 1c3t s LEU 13 N 1.60 4.05 -0.14 4.42 2.96 0.45 -4.87 118.68 127.15 1c3t s LEU 13 Ca 0.04 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1c3t s LEU 13 Cb -0.17 -3.14 0.07 0.00 0.50 0.00 0.00 46.19 43.44 1c3t s LEU 13 CO 0.06 -0.29 0.27 -0.89 -1.32 0.00 0.00 176.35 174.19 1c3t s THR 14 N -2.25 -0.43 0.30 3.68 2.01 -1.26 0.15 115.64 117.84 1c3t s THR 14 Ca 0.40 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.73 1c3t s THR 14 Cb -0.09 -0.47 -0.06 0.00 0.01 0.00 0.00 72.50 71.89 1c3t s THR 14 CO 0.34 0.11 -0.06 0.68 -0.69 0.00 0.00 174.62 175.00 1c3t s VAL 15 N 2.43 1.74 -0.31 3.82 -7.23 -0.65 -4.98 120.40 115.22 1c3t s VAL 15 Ca 0.01 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1c3t s VAL 15 Cb -0.12 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.35 1c3t s VAL 15 CO -0.09 -0.25 0.01 -1.61 -0.31 0.00 0.00 175.10 172.85 1c3t s GLU 16 N -3.72 2.24 0.43 4.82 0.41 -1.26 -1.76 118.70 119.87 1c3t s GLU 16 Ca 0.31 -1.41 0.04 0.00 -0.41 0.00 0.00 54.97 53.49 1c3t s GLU 16 Cb 0.04 -3.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.20 1c3t s GLU 16 CO 0.13 -0.70 0.13 -0.51 -0.49 0.00 0.00 175.26 173.83 1c3t s LEU 17 N 1.17 2.00 0.12 1.80 1.43 -0.79 -4.95 118.68 119.46 1c3t s LEU 17 Ca -0.03 -1.73 0.08 0.00 -1.03 0.00 0.00 54.13 51.42 1c3t s LEU 17 Cb -0.20 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 1c3t s LEU 17 CO -0.03 -0.98 -0.13 -1.61 0.23 0.00 0.00 176.35 173.83 1c3t s GLU 18 N -3.68 1.99 0.65 1.70 2.02 -1.26 -2.66 118.70 117.46 1c3t s GLU 18 Ca 0.20 -1.12 0.37 0.00 0.02 0.00 0.00 54.97 54.44 1c3t s GLU 18 Cb 0.01 -2.21 2.06 0.00 0.10 0.00 0.00 34.13 34.10 1c3t s GLU 18 CO 0.14 0.48 2.21 -1.00 0.02 0.00 0.00 175.26 177.11 1c3t h PRO 19 N 3.52 0.00 0.00 0.39 0.13 -1.96 0.17 132.00 134.26 1c3t h PRO 19 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1c3t h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1c3t h PRO 19 CO 0.50 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.93 1c3t h SER 20 N 0.00 0.00 -4.00 1.44 4.64 -1.98 -2.58 113.55 111.08 1c3t h SER 20 Ca 0.01 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.86 1c3t h SER 20 Cb 0.25 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.50 1c3t h SER 20 CO -0.00 0.00 0.22 -1.81 -0.87 0.00 0.00 176.83 174.37 1c3t s ASP 21 N -4.70 3.13 0.27 4.97 1.11 0.61 -4.78 116.67 117.28 1c3t s ASP 21 Ca 0.08 1.52 0.07 0.00 0.18 0.00 0.00 52.55 54.41 1c3t s ASP 21 Cb 0.11 -2.19 -0.06 0.00 1.07 0.00 0.00 42.92 41.85 1c3t s ASP 21 CO 0.55 -2.86 -0.09 0.42 1.18 0.00 0.00 175.17 174.37 1c3t s THR 22 N -2.87 1.78 0.24 -1.27 -4.23 -1.26 -0.55 115.64 107.48 1c3t s THR 22 Ca 0.64 -2.17 -0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1c3t s THR 22 Cb -0.19 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 71.61 1c3t s THR 22 CO 0.58 -0.36 1.60 0.58 -0.54 0.00 0.00 174.62 176.48 1c3t h VAL 23 N 2.32 0.22 -0.66 2.29 2.07 -1.62 0.20 116.25 121.08 1c3t h VAL 23 Ca -0.40 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.26 1c3t h VAL 23 Cb 1.23 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 31.10 1c3t h VAL 23 CO 0.66 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 178.14 1c3t h GLU 24 N 0.02 0.09 0.31 1.57 4.22 -1.90 -1.31 114.58 117.57 1c3t h GLU 24 Ca 0.40 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.83 1c3t h GLU 24 Cb 0.63 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1c3t h GLU 24 CO -0.79 0.06 -0.29 -0.91 -2.18 0.00 0.00 179.01 174.90 1c3t h ASN 25 N 0.09 -0.76 -0.62 1.04 -0.26 -1.01 -1.10 115.58 112.95 1c3t h ASN 25 Ca 0.34 0.07 0.11 0.00 -0.56 0.00 0.00 56.30 56.26 1c3t h ASN 25 Cb 0.56 0.26 -0.12 0.00 -1.06 0.00 0.00 38.32 37.96 1c3t h ASN 25 CO -0.59 -0.42 -0.30 0.25 -1.06 0.00 0.00 177.43 175.32 1c3t h LEU 26 N -0.62 -1.03 -0.64 1.61 5.85 -0.77 0.23 115.31 119.94 1c3t h LEU 26 Ca -0.02 0.22 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1c3t h LEU 26 Cb 0.56 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1c3t h LEU 26 CO -0.04 -0.29 0.32 0.11 -0.34 0.00 0.00 178.44 178.20 1c3t h LYS 27 N -0.12 0.55 -1.00 1.25 1.57 -1.01 -0.29 116.57 117.52 1c3t h LYS 27 Ca 0.26 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.23 1c3t h LYS 27 Cb 0.54 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1c3t h LYS 27 CO -0.69 0.37 0.62 0.00 -0.57 0.00 0.00 179.45 179.17 1c3t h ALA 28 N 1.38 1.92 -0.19 3.86 0.00 0.75 0.12 119.26 127.09 1c3t h ALA 28 Ca 0.31 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1c3t h ALA 28 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1c3t h ALA 28 CO -0.23 -0.31 -0.01 0.87 0.00 0.00 0.00 179.25 179.57 1c3t h LYS 29 N 0.58 0.34 0.00 0.00 1.79 -0.31 -2.19 116.57 116.79 1c3t h LYS 29 Ca 0.58 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1c3t h LYS 29 Cb 1.17 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1c3t h LYS 29 CO -0.35 0.56 -0.00 0.82 -1.08 0.00 0.00 179.45 179.40 1c3t h ILE 30 N 0.09 0.07 0.01 1.86 2.04 -0.39 0.10 117.51 121.29 1c3t h ILE 30 Ca 0.05 -0.01 -0.24 0.00 1.00 0.00 0.00 64.86 65.66 1c3t h ILE 30 Cb 0.41 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1c3t h ILE 30 CO 0.01 0.00 -1.26 -0.61 0.00 0.00 0.00 178.15 176.29 1c3t h GLN 31 N 0.00 0.02 -0.00 2.37 4.15 -0.64 -1.61 115.11 119.40 1c3t h GLN 31 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1c3t h GLN 31 Cb 0.01 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1c3t h GLN 31 CO 0.00 0.84 -0.50 -0.25 -1.93 0.00 0.00 178.83 176.99 1c3t n ASP 32 N -3.26 0.55 -0.02 -0.69 8.00 -0.03 -2.64 116.55 118.46 1c3t n ASP 32 Ca -0.07 -0.32 -0.02 0.00 0.71 0.00 0.00 54.79 55.10 1c3t n ASP 32 Cb 0.98 0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 42.34 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 -1.44 0.11 -0.11 -1.24 4.76 0.16 -4.68 118.16 115.72 1c3t n LYS 33 Ca 0.06 0.05 0.09 0.00 -2.87 0.00 0.00 58.31 55.64 1c3t n LYS 33 Cb 0.34 -0.60 0.32 0.00 -1.84 0.00 0.00 35.03 33.24 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 -3.01 1.77 -3.32 1.97 -0.58 -0.64 -4.92 120.64 111.90 1c3t n GLU 34 Ca -0.03 -1.16 -0.24 0.00 -0.42 0.00 0.00 57.16 55.31 1c3t n GLU 34 Cb 0.11 -1.37 0.05 0.00 -0.57 0.00 0.00 31.44 29.66 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 1.12 -0.53 3.49 0.62 0.00 -1.07 -4.95 105.19 103.87 1c3t n GLY 35 Ca 0.15 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.22 3.28 0.44 -0.61 1.01 -0.96 -4.93 121.20 116.20 1c3t s ILE 36 Ca 0.44 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 1c3t s ILE 36 Cb -0.20 -2.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.84 1c3t s ILE 36 CO 0.55 0.58 0.97 -2.16 0.00 0.00 0.00 174.94 174.87 1c3t s PRO 37 N -0.50 4.15 0.45 2.79 0.04 -1.26 -2.36 135.00 138.30 1c3t s PRO 37 Ca 0.07 1.20 0.15 0.00 0.04 0.00 0.00 61.00 62.45 1c3t s PRO 37 Cb -0.12 -2.20 1.07 0.00 0.04 0.00 0.00 34.50 33.29 1c3t s PRO 37 CO 0.02 -0.11 1.99 -1.35 0.04 0.00 0.00 177.00 177.59 1c3t h PRO 38 N 1.91 0.35 0.00 0.56 0.11 -1.93 0.51 132.00 133.51 1c3t h PRO 38 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1c3t h PRO 38 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1c3t h PRO 38 CO 0.61 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1c3t n ASP 39 N -4.46 0.00 0.00 -2.05 5.68 -1.26 -2.69 116.55 111.77 1c3t n ASP 39 Ca 0.09 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 1c3t n ASP 39 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1c3t n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c3t n GLN 40 N -0.76 0.39 -5.06 0.11 6.02 0.16 -4.97 117.38 113.27 1c3t n GLN 40 Ca 0.10 -0.72 -0.32 0.00 -0.01 0.00 0.00 57.00 56.06 1c3t n GLN 40 Cb 0.05 -0.88 -0.17 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.29 3.08 -0.18 -1.09 -0.21 -1.09 -3.72 119.66 116.16 1c3t s GLN 41 Ca 0.00 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 54.52 1c3t s GLN 41 Cb 0.00 -2.36 0.01 0.00 1.00 0.00 0.00 33.01 31.65 1c3t s GLN 41 CO 0.00 0.14 -0.15 1.03 -2.12 0.00 0.00 175.29 174.19 1c3t s ARG 42 N 0.44 3.14 -0.13 2.91 1.81 -0.67 -4.91 118.95 121.55 1c3t s ARG 42 Ca -0.16 -0.77 -0.01 0.00 -1.72 0.00 0.00 55.73 53.08 1c3t s ARG 42 Cb -0.17 -2.67 -0.02 0.00 -0.45 0.00 0.00 34.95 31.64 1c3t s ARG 42 CO 0.06 -0.12 -0.11 -0.51 -0.68 0.00 0.00 175.30 173.94 1c3t s LEU 43 N 1.14 2.84 -0.46 2.53 1.43 -1.26 0.29 118.68 125.19 1c3t s LEU 43 Ca 0.01 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1c3t s LEU 43 Cb -0.14 -1.65 0.13 0.00 0.03 0.00 0.00 46.19 44.56 1c3t s LEU 43 CO -0.06 0.17 0.24 -0.63 0.23 0.00 0.00 176.35 176.30 1c3t s ILE 44 N 0.30 1.80 -0.19 -0.59 1.01 -0.74 -0.66 121.20 122.12 1c3t s ILE 44 Ca -0.09 -2.77 -0.29 0.00 0.00 0.00 0.00 60.65 57.51 1c3t s ILE 44 Cb -0.15 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1c3t s ILE 44 CO 0.05 -0.85 1.02 0.12 0.00 0.00 0.00 174.94 175.28 1c3t s PHE 45 N 0.19 3.40 -1.34 3.97 5.36 0.33 -3.55 117.98 126.34 1c3t s PHE 45 Ca 0.17 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 1c3t s PHE 45 Cb -0.25 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.20 1c3t s PHE 45 CO -0.00 -0.39 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 1c3t n ALA 46 N 5.87 -0.71 -0.11 11.12 0.00 -1.26 0.24 120.51 135.66 1c3t n ALA 46 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1c3t n ALA 46 Cb 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.50 3.64 0.00 0.00 -1.23 -5.02 105.19 103.19 1c3t n GLY 47 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.44 4.12 -0.56 1.61 1.02 0.14 -5.00 119.74 120.62 1c3t s LYS 48 Ca 0.00 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 1c3t s LYS 48 Cb 0.00 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1c3t s LYS 48 CO 0.00 -0.29 1.66 -1.14 -0.92 0.00 0.00 175.35 174.66 1c3t s GLN 49 N 2.09 3.01 0.06 1.68 -0.44 -1.26 -0.51 119.66 124.29 1c3t s GLN 49 Ca 0.23 0.62 -0.37 0.00 -2.50 0.00 0.00 55.36 53.34 1c3t s GLN 49 Cb -0.16 -4.25 -0.18 0.00 -1.64 0.00 0.00 33.01 26.78 1c3t s GLN 49 CO 0.09 -2.28 1.22 1.28 0.50 0.00 0.00 175.29 176.10 1c3t n LEU 50 N 11.04 1.00 -4.49 3.68 4.77 0.16 -4.92 117.00 128.25 1c3t n LEU 50 Ca 0.17 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.88 1c3t n LEU 50 Cb 0.50 -1.09 -0.11 0.00 -2.33 0.00 0.00 43.42 40.39 1c3t n LEU 50 CO 0.71 -1.40 -0.13 -1.61 -1.33 0.00 0.00 177.39 173.63 1c3t s GLU 51 N 0.23 3.31 -0.83 3.23 2.02 -1.26 -4.83 118.70 120.56 1c3t s GLU 51 Ca 0.86 -0.77 -0.22 0.00 0.02 0.00 0.00 54.97 54.86 1c3t s GLU 51 Cb -1.06 -3.81 -0.19 0.00 0.10 0.00 0.00 34.13 29.18 1c3t s GLU 51 CO 0.51 -0.53 2.36 -3.47 0.02 0.00 0.00 175.26 174.15 1c3t n ASP 52 N 5.09 0.98 0.00 -0.19 -0.08 -1.26 -2.05 116.55 119.04 1c3t n ASP 52 Ca -0.12 -1.17 0.00 0.00 -1.51 0.00 0.00 54.79 51.98 1c3t n ASP 52 Cb 0.49 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.59 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 6.43 0.17 3.95 0.27 0.00 -1.26 -4.90 105.19 109.86 1c3t n GLY 53 Ca 0.52 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 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 2.78 0.59 1.61 1.81 -0.87 -4.89 118.95 119.98 1c3t s ARG 54 Ca 0.00 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 1c3t s ARG 54 Cb 0.00 -2.43 0.05 0.00 -0.45 0.00 0.00 34.95 32.12 1c3t s ARG 54 CO 0.00 -0.61 0.83 0.95 -0.68 0.00 0.00 175.30 175.79 1c3t s THR 55 N -2.79 2.55 -0.01 0.02 -4.23 -1.26 -1.67 115.64 108.25 1c3t s THR 55 Ca 0.54 -0.61 -0.25 0.00 -1.18 0.00 0.00 61.69 60.19 1c3t s THR 55 Cb -0.10 -2.94 -0.19 0.00 1.34 0.00 0.00 72.50 70.61 1c3t s THR 55 CO 0.40 0.00 1.28 -0.07 -0.54 0.00 0.00 174.62 175.70 1c3t h LEU 56 N -0.09 -0.09 -1.82 4.79 3.38 -0.75 -2.85 115.31 117.87 1c3t h LEU 56 Ca -0.42 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1c3t h LEU 56 Cb 1.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1c3t h LEU 56 CO 0.52 0.32 0.00 -1.28 0.09 0.00 0.00 178.44 178.09 1c3t h SER 57 N -0.52 0.00 0.85 -0.43 0.87 -1.73 -0.80 113.55 111.79 1c3t h SER 57 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1c3t h SER 57 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1c3t h SER 57 CO 0.02 0.00 0.00 0.44 -0.53 0.00 0.00 176.83 176.76 1c3t h ASP 58 N 0.00 0.00 -0.71 6.23 3.32 -1.78 -2.84 116.42 120.64 1c3t h ASP 58 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1c3t h ASP 58 Cb 0.09 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.35 1c3t h ASP 58 CO 0.00 0.00 -0.06 -1.22 -1.72 0.00 0.00 179.24 176.24 1c3t n TYR 59 N -2.56 2.39 -3.04 4.55 4.01 -0.31 -4.92 117.16 117.28 1c3t n TYR 59 Ca 0.02 -2.25 -0.16 0.00 -0.16 0.00 0.00 57.90 55.34 1c3t n TYR 59 Cb 0.26 -0.73 -0.03 0.00 -0.31 0.00 0.00 39.34 38.53 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 -0.92 -1.16 -4.65 7.72 0.23 -1.07 -4.77 115.26 110.63 1c3t n ASN 60 Ca 0.47 -0.24 -0.43 0.00 -0.53 0.00 0.00 54.58 53.85 1c3t n ASN 60 Cb 0.93 -1.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.53 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 -5.16 4.18 0.00 -4.53 1.43 -1.24 -5.00 118.68 108.35 1c3t s LEU 61 Ca 0.32 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.40 1c3t s LEU 61 Cb -0.19 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.58 1c3t s LEU 61 CO 0.39 -0.98 0.53 0.00 0.23 0.00 0.00 176.35 176.52 1c3t n GLN 62 N 7.17 0.33 -2.28 1.70 6.02 -1.26 -4.82 117.38 124.24 1c3t n GLN 62 Ca 0.17 -1.56 -0.42 0.00 -0.01 0.00 0.00 57.00 55.18 1c3t n GLN 62 Cb 0.44 -0.32 -0.03 0.00 1.02 0.00 0.00 30.24 31.35 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 -3.81 4.34 -0.41 -1.09 2.20 -1.26 -3.99 119.74 115.73 1c3t s LYS 63 Ca 0.36 1.93 -0.04 0.00 -0.36 0.00 0.00 55.97 57.86 1c3t s LYS 63 Cb -0.02 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1c3t s LYS 63 CO 0.24 -0.43 0.44 0.39 -0.36 0.00 0.00 175.35 175.63 1c3t n GLU 64 N 4.45 -1.16 -4.10 4.03 1.02 0.35 -5.00 120.64 120.23 1c3t n GLU 64 Ca 0.11 1.33 -0.32 0.00 -0.02 0.00 0.00 57.16 58.26 1c3t n GLU 64 Cb 0.44 -4.31 -0.07 0.00 -0.02 0.00 0.00 31.44 27.48 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 -2.43 5.62 -0.45 1.62 0.01 -1.25 -4.88 113.70 111.94 1c3t s SER 65 Ca 0.07 0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.27 1c3t s SER 65 Cb -0.02 -1.59 0.05 0.00 0.21 0.00 0.00 66.02 64.67 1c3t s SER 65 CO 0.50 0.25 0.42 -0.89 0.41 0.00 0.00 173.24 173.93 1c3t s THR 66 N -1.23 5.15 -0.18 1.44 2.01 -1.26 -0.30 115.64 121.28 1c3t s THR 66 Ca 0.24 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1c3t s THR 66 Cb -0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1c3t s THR 66 CO 0.16 -0.53 0.10 -0.63 -0.69 0.00 0.00 174.62 173.03 1c3t s ILE 67 N 1.90 5.18 -0.30 1.82 1.01 -1.14 -4.73 121.20 124.94 1c3t s ILE 67 Ca 0.08 0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1c3t s ILE 67 Cb -0.21 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1c3t s ILE 67 CO 0.10 0.48 0.62 -1.00 0.00 0.00 0.00 174.94 175.14 1c3t s HIS 68 N 0.10 3.22 -0.18 3.97 3.76 -1.26 -0.52 115.29 124.38 1c3t s HIS 68 Ca 0.08 0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 55.46 1c3t s HIS 68 Cb -0.12 -2.97 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 1c3t s HIS 68 CO -0.00 -0.46 0.18 -1.17 -0.85 0.00 0.00 174.74 172.44 1c3t s LEU 69 N 2.59 4.23 -0.04 0.89 0.20 0.92 -1.80 118.68 125.67 1c3t s LEU 69 Ca 0.25 0.33 0.07 0.00 0.69 0.00 0.00 54.13 55.47 1c3t s LEU 69 Cb -0.15 -2.18 -0.02 0.00 -0.43 0.00 0.00 46.19 43.41 1c3t s LEU 69 CO 0.11 0.16 -0.25 0.68 -0.29 0.00 0.00 176.35 176.77 1c3t s VAL 70 N 0.35 1.99 -0.98 1.68 -7.23 0.14 -3.89 120.40 112.47 1c3t s VAL 70 Ca 0.11 -1.06 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 1c3t s VAL 70 Cb -0.12 -1.66 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 1c3t s VAL 70 CO 0.00 0.56 2.03 -0.11 -0.31 0.00 0.00 175.10 177.27 1c3t n LEU 71 N 2.68 4.95 -2.75 1.32 -0.00 -1.26 -1.67 117.00 120.27 1c3t n LEU 71 Ca -0.17 -3.26 -0.05 0.00 -0.00 0.00 0.00 56.01 52.54 1c3t n LEU 71 Cb 0.52 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1c3t n LEU 71 CO 0.24 0.10 -0.38 -1.14 -0.00 0.00 0.00 177.39 176.21 1c3t n ARG 72 N 6.64 -0.41 -1.75 1.96 0.63 -1.24 -4.24 116.66 118.25 1c3t n ARG 72 Ca 0.50 0.70 -0.18 0.00 -0.92 0.00 0.00 57.85 57.95 1c3t n ARG 72 Cb 0.39 -0.91 -0.08 0.00 0.45 0.00 0.00 32.46 32.31 1c3t n ARG 72 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1c3t s LEU 73 N -0.99 2.83 0.00 6.15 0.20 -1.26 -3.13 118.68 122.48 1c3t s LEU 73 Ca 0.05 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.29 1c3t s LEU 73 Cb -0.00 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1c3t s LEU 73 CO 0.11 -3.76 0.00 0.54 -0.29 0.00 0.00 176.35 172.95 1c3t n ARG 74 N 8.60 0.00 0.00 1.98 5.12 -1.26 -4.95 116.66 126.15 1c3t n ARG 74 Ca 0.44 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.48 1c3t n ARG 74 Cb 0.45 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.97 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 -0.55 -0.91 0.00 -0.13 0.00 -1.25 -5.26 105.19 97.10 1c3t n GLY 75 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93