#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 3.71 -0.04 2.12 2.00 -1.26 -1.56 119.66 124.64 1c3t s GLN 2 Ca 0.00 0.50 -0.02 0.00 -2.00 0.00 0.00 55.36 53.84 1c3t s GLN 2 Cb 0.00 -2.31 0.03 0.00 0.80 0.00 0.00 33.01 31.53 1c3t s GLN 2 CO 0.00 -0.19 0.06 -0.51 -0.50 0.00 0.00 175.29 174.15 1c3t s LEU 3 N -4.30 0.22 -0.50 3.68 1.43 -0.26 -1.36 118.68 117.60 1c3t s LEU 3 Ca 0.52 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.50 1c3t s LEU 3 Cb -0.10 -0.13 0.06 0.00 0.03 0.00 0.00 46.19 46.04 1c3t s LEU 3 CO 0.38 -0.24 0.63 -0.36 0.23 0.00 0.00 176.35 176.99 1c3t s PHE 4 N 2.08 3.05 -0.49 0.29 0.40 -0.37 -1.98 117.98 120.97 1c3t s PHE 4 Ca 0.04 -0.51 -0.15 0.00 -0.60 0.00 0.00 56.93 55.72 1c3t s PHE 4 Cb -0.12 -3.53 0.09 0.00 0.51 0.00 0.00 43.02 39.97 1c3t s PHE 4 CO -0.03 -1.02 0.41 0.08 0.70 0.00 0.00 175.22 175.35 1c3t s VAL 5 N 2.65 5.05 0.04 -0.44 1.01 0.11 -1.33 120.40 127.50 1c3t s VAL 5 Ca 0.16 -1.27 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1c3t s VAL 5 Cb -0.19 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1c3t s VAL 5 CO 0.12 -0.67 0.18 -1.59 0.00 0.00 0.00 175.10 173.15 1c3t s LYS 6 N 1.59 3.36 0.00 2.72 -2.85 -0.37 -0.83 119.74 123.36 1c3t s LYS 6 Ca 0.04 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 1c3t s LYS 6 Cb -0.26 -3.01 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 1c3t s LYS 6 CO 0.05 0.62 0.00 0.25 0.10 0.00 0.00 175.35 176.37 1c3t n THR 7 N 0.50 0.00 1.72 3.79 -2.24 -1.07 -0.26 114.28 116.72 1c3t n THR 7 Ca -0.07 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1c3t n THR 7 Cb 0.51 -0.22 0.64 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.00 -0.50 3.22 4.77 -1.26 -2.60 117.00 120.63 1c3t n LEU 8 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1c3t n LEU 8 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1c3t n LEU 8 CO 0.00 0.00 0.31 0.35 -1.33 0.00 0.00 177.39 176.72 1c3t n THR 9 N -0.89 0.00 0.00 -5.08 -2.24 -1.26 -4.96 114.28 99.85 1c3t n THR 9 Ca 0.16 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1c3t n THR 9 Cb 0.07 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.40 2.66 3.75 3.38 0.00 -1.07 -5.01 105.19 110.30 1c3t n GLY 10 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.42 4.25 -0.19 1.61 2.20 -1.26 -4.81 119.74 121.11 1c3t s LYS 11 Ca 0.00 2.35 -0.02 0.00 -0.36 0.00 0.00 55.97 57.94 1c3t s LYS 11 Cb 0.00 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1c3t s LYS 11 CO 0.00 -0.43 -0.09 0.99 -0.36 0.00 0.00 175.35 175.47 1c3t s THR 12 N -0.24 3.11 -0.18 3.43 2.01 -1.26 -2.59 115.64 119.91 1c3t s THR 12 Ca 0.58 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 1c3t s THR 12 Cb -0.43 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1c3t s THR 12 CO 0.47 0.46 0.19 -0.22 -0.69 0.00 0.00 174.62 174.83 1c3t s LEU 13 N 1.21 4.23 -0.41 4.42 0.20 -0.01 -4.88 118.68 123.43 1c3t s LEU 13 Ca 0.02 0.34 -0.07 0.00 0.69 0.00 0.00 54.13 55.11 1c3t s LEU 13 Cb -0.14 -2.19 0.09 0.00 -0.43 0.00 0.00 46.19 43.52 1c3t s LEU 13 CO -0.03 0.16 0.23 -0.89 -0.29 0.00 0.00 176.35 175.53 1c3t s THR 14 N 0.36 3.84 0.11 3.68 2.01 -1.26 0.06 115.64 124.44 1c3t s THR 14 Ca 0.11 -1.65 0.07 0.00 0.31 0.00 0.00 61.69 60.54 1c3t s THR 14 Cb -0.12 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1c3t s THR 14 CO 0.00 -0.56 -0.09 0.68 -0.69 0.00 0.00 174.62 173.96 1c3t s VAL 15 N 1.32 3.41 -0.43 3.82 -7.23 -0.84 -4.93 120.40 115.53 1c3t s VAL 15 Ca 0.04 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 1c3t s VAL 15 Cb -0.23 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.14 1c3t s VAL 15 CO -0.00 0.08 0.31 -0.70 -0.31 0.00 0.00 175.10 174.48 1c3t s GLU 16 N -2.32 2.90 0.01 4.82 -6.30 -1.26 -1.10 118.70 115.44 1c3t s GLU 16 Ca 0.22 -1.22 0.00 0.00 -2.50 0.00 0.00 54.97 51.48 1c3t s GLU 16 Cb -0.11 -3.97 -0.01 0.00 0.00 0.00 0.00 34.13 30.05 1c3t s GLU 16 CO 0.14 -0.88 -0.02 -1.17 0.02 0.00 0.00 175.26 173.36 1c3t s LEU 17 N 1.61 2.11 0.30 2.70 2.96 -0.60 -5.02 118.68 122.73 1c3t s LEU 17 Ca 0.04 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1c3t s LEU 17 Cb -0.22 0.02 -0.06 0.00 0.50 0.00 0.00 46.19 46.44 1c3t s LEU 17 CO 0.07 -0.13 0.59 -1.61 -1.32 0.00 0.00 176.35 173.96 1c3t s GLU 18 N -0.66 3.70 0.37 1.98 8.01 -1.26 -4.15 118.70 126.69 1c3t s GLU 18 Ca -0.07 0.16 0.11 0.00 0.01 0.00 0.00 54.97 55.19 1c3t s GLU 18 Cb -0.05 -2.60 0.90 0.00 -4.31 0.00 0.00 34.13 28.07 1c3t s GLU 18 CO -0.00 0.19 1.85 -1.35 0.01 0.00 0.00 175.26 175.96 1c3t h PRO 19 N 1.82 0.59 -0.63 0.39 0.11 -1.94 0.08 132.00 132.42 1c3t h PRO 19 Ca -0.47 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1c3t h PRO 19 Cb 1.18 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1c3t h PRO 19 CO 0.66 0.39 0.42 0.66 -0.21 0.00 0.00 178.00 179.92 1c3t h SER 20 N 0.61 0.55 -3.53 -2.05 4.64 -1.94 -0.68 113.55 111.14 1c3t h SER 20 Ca 0.47 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.24 1c3t h SER 20 Cb 0.90 -0.12 0.18 0.00 -0.31 0.00 0.00 62.40 63.05 1c3t h SER 20 CO -0.22 0.36 -0.09 0.47 -0.87 0.00 0.00 176.83 176.47 1c3t n ASP 21 N -4.48 -0.15 -4.79 4.97 8.00 0.01 -4.60 116.55 115.51 1c3t n ASP 21 Ca 0.09 0.65 -0.22 0.00 0.71 0.00 0.00 54.79 56.02 1c3t n ASP 21 Cb 0.24 -1.33 -0.05 0.00 -0.02 0.00 0.00 41.12 39.96 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 -1.83 3.75 0.54 -3.53 -4.23 -1.26 -0.37 115.64 108.70 1c3t s THR 22 Ca 0.71 -1.53 0.33 0.00 -1.18 0.00 0.00 61.69 60.02 1c3t s THR 22 Cb -0.35 -3.17 0.50 0.00 1.34 0.00 0.00 72.50 70.82 1c3t s THR 22 CO 0.53 -0.27 1.86 0.58 -0.54 0.00 0.00 174.62 176.78 1c3t h VAL 23 N 1.49 0.51 -0.01 2.29 2.07 -1.56 0.51 116.25 121.55 1c3t h VAL 23 Ca -0.46 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1c3t h VAL 23 Cb 1.25 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1c3t h VAL 23 CO 0.60 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 178.12 1c3t h GLU 24 N 0.01 0.02 0.29 1.57 4.22 -1.90 -2.02 114.58 116.76 1c3t h GLU 24 Ca 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.90 1c3t h GLU 24 Cb 1.88 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1c3t h GLU 24 CO -0.01 0.15 -0.17 -0.91 -2.18 0.00 0.00 179.01 175.89 1c3t h ASN 25 N -0.12 -0.41 -0.55 1.04 4.21 -1.30 -1.69 115.58 116.75 1c3t h ASN 25 Ca 0.00 0.02 0.11 0.00 1.21 0.00 0.00 56.30 57.64 1c3t h ASN 25 Cb 0.14 0.12 -0.11 0.00 -1.12 0.00 0.00 38.32 37.35 1c3t h ASN 25 CO -0.00 -0.27 -0.24 0.25 -1.29 0.00 0.00 177.43 175.88 1c3t h LEU 26 N -0.43 -0.84 -0.00 1.61 5.85 -1.42 -1.03 115.31 119.04 1c3t h LEU 26 Ca -0.03 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1c3t h LEU 26 Cb 0.35 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1c3t h LEU 26 CO 0.04 -0.26 -0.24 0.11 -0.34 0.00 0.00 178.44 177.75 1c3t h LYS 27 N -0.11 -0.36 -0.96 1.25 1.79 -1.14 -2.26 116.57 114.78 1c3t h LYS 27 Ca 0.25 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.90 1c3t h LYS 27 Cb 0.50 0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 31.07 1c3t h LYS 27 CO -0.62 -0.24 -0.34 0.00 -1.08 0.00 0.00 179.45 177.17 1c3t h ALA 28 N 0.48 0.29 -0.69 3.86 0.00 -0.25 0.86 119.26 123.80 1c3t h ALA 28 Ca 0.06 0.30 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1c3t h ALA 28 Cb 0.46 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1c3t h ALA 28 CO -0.22 -0.56 0.36 0.87 0.00 0.00 0.00 179.25 179.71 1c3t h LYS 29 N -0.01 0.62 0.00 0.00 6.56 -0.92 0.22 116.57 123.05 1c3t h LYS 29 Ca 0.37 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1c3t h LYS 29 Cb 0.63 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1c3t h LYS 29 CO -0.97 0.41 0.00 0.82 -2.06 0.00 0.00 179.45 177.66 1c3t h ILE 30 N 0.64 0.00 0.00 1.86 2.04 0.12 -0.67 117.51 121.50 1c3t h ILE 30 Ca 0.33 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.96 1c3t h ILE 30 Cb 0.28 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1c3t h ILE 30 CO -0.23 0.00 -1.22 1.67 0.00 0.00 0.00 178.15 178.37 1c3t n GLN 31 N -2.94 0.61 0.00 2.37 7.27 0.67 -1.28 117.38 124.08 1c3t n GLN 31 Ca -0.02 0.17 0.12 0.00 0.07 0.00 0.00 57.00 57.35 1c3t n GLN 31 Cb 0.13 -1.82 0.30 0.00 2.41 0.00 0.00 30.24 31.27 1c3t n GLN 31 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1c3t n ASP 32 N -2.79 0.58 0.01 1.69 8.00 -0.33 -2.51 116.55 121.21 1c3t n ASP 32 Ca -0.05 -0.35 -0.01 0.00 0.71 0.00 0.00 54.79 55.09 1c3t n ASP 32 Cb 0.70 0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.98 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 -1.32 0.04 -0.32 -1.24 4.76 -0.76 -4.75 118.16 114.58 1c3t n LYS 33 Ca 0.07 0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.63 1c3t n LYS 33 Cb 0.34 -0.56 0.28 0.00 -1.84 0.00 0.00 35.03 33.25 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 -3.29 2.48 -2.73 1.97 4.71 -0.41 -4.93 120.64 118.44 1c3t n GLU 34 Ca -0.02 -2.30 -0.13 0.00 -0.01 0.00 0.00 57.16 54.70 1c3t n GLU 34 Cb 0.31 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.24 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1c3t n GLY 35 N 1.52 -0.49 3.63 0.62 0.00 -1.04 -4.89 105.19 104.54 1c3t n GLY 35 Ca 0.21 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.58 5.33 0.41 -0.61 1.01 -0.96 -4.90 121.20 118.90 1c3t s ILE 36 Ca 0.12 0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.77 1c3t s ILE 36 Cb -0.06 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.78 1c3t s ILE 36 CO 0.15 0.30 0.92 -2.16 0.00 0.00 0.00 174.94 174.14 1c3t s PRO 37 N 1.35 4.22 0.62 2.79 0.04 -1.26 -2.97 135.00 139.78 1c3t s PRO 37 Ca 0.08 1.06 0.37 0.00 0.04 0.00 0.00 61.00 62.56 1c3t s PRO 37 Cb -0.15 -2.26 2.04 0.00 0.04 0.00 0.00 34.50 34.17 1c3t s PRO 37 CO 0.07 0.02 2.27 -1.00 0.04 0.00 0.00 177.00 178.40 1c3t h PRO 38 N 2.05 0.00 0.00 0.56 0.13 -1.91 -0.23 132.00 132.60 1c3t h PRO 38 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1c3t h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1c3t h PRO 38 CO 0.62 0.02 -0.32 -0.44 -0.23 0.00 0.00 178.00 177.65 1c3t h ASP 39 N 0.00 0.00 -0.10 1.44 3.32 -2.02 -3.05 116.42 116.00 1c3t h ASP 39 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c3t h ASP 39 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1c3t h ASP 39 CO 0.00 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1c3t n GLN 40 N -3.53 1.83 -3.34 3.56 6.02 -0.50 -4.87 117.38 116.56 1c3t n GLN 40 Ca -0.00 -1.42 -0.39 0.00 -0.01 0.00 0.00 57.00 55.18 1c3t n GLN 40 Cb 0.47 -1.11 -0.07 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.80 4.15 -0.50 -1.09 -0.21 -0.22 -1.48 119.66 119.52 1c3t s GLN 41 Ca 0.09 0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.75 1c3t s GLN 41 Cb 0.05 -3.57 0.13 0.00 1.00 0.00 0.00 33.01 30.62 1c3t s GLN 41 CO 0.07 -0.12 0.24 0.50 -2.12 0.00 0.00 175.29 173.85 1c3t s ARG 42 N 1.56 1.93 -0.03 2.91 3.52 0.03 -4.88 118.95 123.99 1c3t s ARG 42 Ca 0.20 -2.51 -0.20 0.00 -0.13 0.00 0.00 55.73 53.10 1c3t s ARG 42 Cb -0.15 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1c3t s ARG 42 CO 0.09 -1.09 0.56 -0.51 -0.81 0.00 0.00 175.30 173.54 1c3t s LEU 43 N -0.10 4.39 -0.08 -0.88 1.43 -1.26 0.07 118.68 122.25 1c3t s LEU 43 Ca 0.16 1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1c3t s LEU 43 Cb -0.25 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.16 1c3t s LEU 43 CO -0.01 0.10 0.03 -0.63 0.23 0.00 0.00 176.35 176.06 1c3t s ILE 44 N -0.08 0.22 -0.27 -0.59 1.09 -0.39 -2.16 121.20 119.01 1c3t s ILE 44 Ca 0.29 0.12 -0.08 0.00 -1.10 0.00 0.00 60.65 59.88 1c3t s ILE 44 Cb -0.17 -0.48 -0.02 0.00 -1.06 0.00 0.00 42.46 40.73 1c3t s ILE 44 CO 0.15 0.15 0.11 0.12 -0.10 0.00 0.00 174.94 175.37 1c3t s PHE 45 N 2.03 3.13 -1.48 3.97 5.36 -0.70 -0.02 117.98 130.26 1c3t s PHE 45 Ca 0.04 -0.48 -0.08 0.00 -0.96 0.00 0.00 56.93 55.45 1c3t s PHE 45 Cb -0.13 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.32 1c3t s PHE 45 CO -0.05 -0.40 0.72 0.00 -1.46 0.00 0.00 175.22 174.03 1c3t n ALA 46 N 4.95 -1.66 -1.40 11.12 0.00 -1.26 0.07 120.51 132.33 1c3t n ALA 46 Ca -0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1c3t n ALA 46 Cb 0.50 -2.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 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 -1.70 1.17 2.91 0.00 0.00 -1.26 -4.98 105.19 101.33 1c3t n GLY 47 Ca -0.13 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.09 1.37 0.19 1.61 2.20 0.11 -5.10 119.74 117.04 1c3t s LYS 48 Ca 0.00 -1.84 -0.33 0.00 -0.36 0.00 0.00 55.97 53.44 1c3t s LYS 48 Cb 0.00 -2.85 -0.13 0.00 -1.51 0.00 0.00 37.83 33.34 1c3t s LYS 48 CO 0.00 -1.01 1.60 0.94 -0.36 0.00 0.00 175.35 176.53 1c3t n GLN 49 N 4.10 2.36 -1.97 4.03 7.27 -1.26 -1.73 117.38 130.18 1c3t n GLN 49 Ca 0.03 0.85 -0.32 0.00 0.07 0.00 0.00 57.00 57.64 1c3t n GLN 49 Cb 0.39 -2.63 0.01 0.00 2.41 0.00 0.00 30.24 30.42 1c3t n GLN 49 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1c3t s LEU 50 N 0.78 3.35 -0.13 1.69 1.43 -0.92 -4.92 118.68 119.96 1c3t s LEU 50 Ca 0.75 1.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 1c3t s LEU 50 Cb -0.61 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.13 1c3t s LEU 50 CO 0.38 -0.96 -0.13 -1.61 0.23 0.00 0.00 176.35 174.27 1c3t s GLU 51 N -4.71 2.12 0.47 1.70 2.02 -1.26 -4.91 118.70 114.13 1c3t s GLU 51 Ca 0.58 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 54.86 1c3t s GLU 51 Cb -0.12 -1.94 -0.11 0.00 0.10 0.00 0.00 34.13 32.06 1c3t s GLU 51 CO 0.46 -0.19 0.55 -3.47 0.02 0.00 0.00 175.26 172.63 1c3t n ASP 52 N 4.63 -0.85 0.00 -0.19 -0.08 -1.26 -1.90 116.55 116.91 1c3t n ASP 52 Ca -0.17 0.86 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 1c3t n ASP 52 Cb 0.50 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.82 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 1.76 3.19 3.89 0.27 0.00 -1.26 -4.97 105.19 108.07 1c3t n GLY 53 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1c3t n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c3t s ARG 54 N -0.62 3.73 -0.08 1.61 6.06 -0.80 -4.91 118.95 123.94 1c3t s ARG 54 Ca 0.00 0.22 -0.19 0.00 -2.50 0.00 0.00 55.73 53.26 1c3t s ARG 54 Cb 0.00 -2.57 -0.04 0.00 0.06 0.00 0.00 34.95 32.40 1c3t s ARG 54 CO 0.00 0.16 0.53 0.95 -2.50 0.00 0.00 175.30 174.44 1c3t s THR 55 N -2.10 5.09 0.55 4.11 -4.23 -1.26 -1.56 115.64 116.24 1c3t s THR 55 Ca 0.47 1.07 0.39 0.00 -1.18 0.00 0.00 61.69 62.45 1c3t s THR 55 Cb -0.11 -3.86 0.59 0.00 1.34 0.00 0.00 72.50 70.46 1c3t s THR 55 CO 0.28 0.36 1.74 -0.07 -0.54 0.00 0.00 174.62 176.39 1c3t h LEU 56 N 6.32 0.00 -1.45 4.79 3.38 -0.39 1.89 115.31 129.85 1c3t h LEU 56 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1c3t h LEU 56 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1c3t h LEU 56 CO 0.73 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.03 1c3t h SER 57 N 0.00 0.00 1.06 -0.43 4.64 -1.36 -2.46 113.55 115.00 1c3t h SER 57 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1c3t h SER 57 Cb 2.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.69 1c3t h SER 57 CO -0.01 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.39 1c3t h ASP 58 N 0.00 0.00 -0.94 4.97 3.32 0.27 -2.80 116.42 121.24 1c3t h ASP 58 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1c3t h ASP 58 Cb 0.49 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.75 1c3t h ASP 58 CO 0.00 0.00 0.60 -1.22 -1.72 0.00 0.00 179.24 176.90 1c3t n TYR 59 N -2.91 2.90 -2.84 4.55 4.01 -0.92 -4.90 117.16 117.05 1c3t n TYR 59 Ca 0.01 -1.95 -0.12 0.00 -0.16 0.00 0.00 57.90 55.68 1c3t n TYR 59 Cb 0.31 -0.95 -0.02 0.00 -0.31 0.00 0.00 39.34 38.36 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 -1.12 -1.09 -4.74 7.72 6.94 -1.06 -4.78 115.26 117.13 1c3t n ASN 60 Ca 0.58 -0.08 -0.42 0.00 -0.02 0.00 0.00 54.58 54.64 1c3t n ASN 60 Cb 1.51 -1.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.88 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 -4.95 4.37 0.00 -4.53 1.43 -1.24 -5.02 118.68 108.75 1c3t s LEU 61 Ca 0.24 2.70 0.03 0.00 -1.03 0.00 0.00 54.13 56.07 1c3t s LEU 61 Cb -0.14 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.50 1c3t s LEU 61 CO 0.30 -0.78 0.30 0.00 0.23 0.00 0.00 176.35 176.40 1c3t n GLN 62 N 2.87 0.74 -2.45 1.70 6.02 -1.26 -4.92 117.38 120.08 1c3t n GLN 62 Ca 0.09 -1.08 -0.39 0.00 -0.01 0.00 0.00 57.00 55.62 1c3t n GLN 62 Cb 0.39 -0.12 -0.04 0.00 1.02 0.00 0.00 30.24 31.49 1c3t n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1c3t s LYS 63 N -3.04 4.39 -1.36 -1.09 1.02 -1.26 -3.66 119.74 114.73 1c3t s LYS 63 Ca 0.22 1.74 -0.09 0.00 0.02 0.00 0.00 55.97 57.86 1c3t s LYS 63 Cb -0.02 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1c3t s LYS 63 CO 0.14 0.00 0.42 0.39 -0.92 0.00 0.00 175.35 175.39 1c3t n GLU 64 N 0.61 -1.89 -1.67 1.68 1.02 -0.46 -4.92 120.64 115.01 1c3t n GLU 64 Ca 0.02 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.13 1c3t n GLU 64 Cb 0.46 -3.91 0.05 0.00 -0.02 0.00 0.00 31.44 28.02 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 -4.09 5.42 -0.35 1.62 0.01 -1.24 -4.72 113.70 110.36 1c3t s SER 65 Ca 0.16 1.47 -0.08 0.00 1.31 0.00 0.00 55.95 58.81 1c3t s SER 65 Cb -0.07 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.84 1c3t s SER 65 CO 0.92 -1.40 0.14 -0.89 0.41 0.00 0.00 173.24 172.42 1c3t s THR 66 N -3.13 4.02 -0.01 1.44 2.01 -1.26 -1.23 115.64 117.48 1c3t s THR 66 Ca 0.58 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.57 1c3t s THR 66 Cb -0.13 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1c3t s THR 66 CO 0.54 -0.20 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.51 1c3t s ILE 67 N 1.45 3.09 -0.43 1.82 1.09 -0.44 -4.28 121.20 123.50 1c3t s ILE 67 Ca -0.01 -0.87 -0.15 0.00 -1.10 0.00 0.00 60.65 58.52 1c3t s ILE 67 Cb -0.19 -2.27 0.04 0.00 -1.06 0.00 0.00 42.46 38.98 1c3t s ILE 67 CO 0.04 0.48 0.35 -1.00 -0.10 0.00 0.00 174.94 174.70 1c3t s HIS 68 N -0.84 3.24 -0.31 3.97 3.76 0.96 -1.23 115.29 124.83 1c3t s HIS 68 Ca 0.14 -0.70 -0.15 0.00 -0.15 0.00 0.00 55.06 54.19 1c3t s HIS 68 Cb -0.11 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 1c3t s HIS 68 CO 0.03 -0.68 0.37 -1.17 -0.85 0.00 0.00 174.74 172.45 1c3t s LEU 69 N 1.70 4.26 0.12 0.89 2.96 0.64 -1.26 118.68 128.00 1c3t s LEU 69 Ca 0.05 -0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 1c3t s LEU 69 Cb -0.21 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1c3t s LEU 69 CO 0.09 -0.28 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.90 1c3t s VAL 70 N 2.06 2.09 0.88 1.68 1.01 0.11 -4.26 120.40 123.97 1c3t s VAL 70 Ca 0.13 -1.70 -0.10 0.00 0.00 0.00 0.00 61.98 60.31 1c3t s VAL 70 Cb -0.16 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.48 1c3t s VAL 70 CO 0.11 0.04 1.12 -0.76 0.00 0.00 0.00 175.10 175.61 1c3t s LEU 71 N -2.02 2.77 -0.18 3.92 1.43 -1.26 -0.79 118.68 122.55 1c3t s LEU 71 Ca 0.12 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.14 1c3t s LEU 71 Cb -0.10 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1c3t s LEU 71 CO 0.05 -2.79 0.06 -0.60 0.23 0.00 0.00 176.35 173.30 1c3t s ARG 72 N -4.74 3.92 0.37 1.70 3.52 -0.55 -4.68 118.95 118.49 1c3t s ARG 72 Ca 0.65 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.98 1c3t s ARG 72 Cb -0.21 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1c3t s ARG 72 CO 0.58 0.31 0.37 -0.51 -0.81 0.00 0.00 175.30 175.24 1c3t s LEU 73 N 0.26 3.59 0.07 -0.88 2.01 -1.26 -4.93 118.68 117.54 1c3t s LEU 73 Ca 0.04 -0.52 -0.35 0.00 0.01 0.00 0.00 54.13 53.30 1c3t s LEU 73 Cb -0.12 -2.28 -0.15 0.00 0.01 0.00 0.00 46.19 43.64 1c3t s LEU 73 CO 0.00 -0.50 1.53 -1.14 1.01 0.00 0.00 176.35 177.25 1c3t n ARG 74 N -1.51 1.69 0.00 1.70 0.63 -1.26 -4.25 116.66 113.66 1c3t n ARG 74 Ca 0.01 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1c3t n ARG 74 Cb 0.60 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 31.18 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1c3t n GLY 75 N 3.24 1.77 1.85 5.14 0.00 -1.26 -5.33 105.19 110.60 1c3t n GLY 75 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93