#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 4.22 0.13 2.12 2.00 -1.26 -2.10 119.66 124.76 1c3t s GLN 2 Ca 0.00 2.01 0.07 0.00 -2.00 0.00 0.00 55.36 55.44 1c3t s GLN 2 Cb 0.00 -3.82 -0.04 0.00 0.80 0.00 0.00 33.01 29.95 1c3t s GLN 2 CO 0.00 -0.75 -0.16 -0.51 -0.50 0.00 0.00 175.29 173.38 1c3t s LEU 3 N 3.49 2.39 -0.02 3.68 1.43 0.13 -1.11 118.68 128.67 1c3t s LEU 3 Ca 0.67 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1c3t s LEU 3 Cb -0.30 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1c3t s LEU 3 CO 0.25 -0.09 -0.04 -0.36 0.23 0.00 0.00 176.35 176.33 1c3t s PHE 4 N -1.95 2.97 -0.08 0.29 0.08 0.12 -1.16 117.98 118.24 1c3t s PHE 4 Ca 0.09 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.15 1c3t s PHE 4 Cb -0.06 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1c3t s PHE 4 CO 0.04 0.39 0.02 0.08 -0.10 0.00 0.00 175.22 175.66 1c3t s VAL 5 N -0.97 0.25 -0.08 -0.44 1.01 0.90 -1.19 120.40 119.89 1c3t s VAL 5 Ca 0.16 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1c3t s VAL 5 Cb -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1c3t s VAL 5 CO 0.06 0.17 0.34 -1.59 0.00 0.00 0.00 175.10 174.09 1c3t s LYS 6 N 2.02 3.97 0.00 2.72 -2.85 -0.54 -0.38 119.74 124.68 1c3t s LYS 6 Ca 0.04 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 1c3t s LYS 6 Cb -0.13 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.35 1c3t s LYS 6 CO -0.05 0.53 0.00 0.25 0.10 0.00 0.00 175.35 176.18 1c3t n THR 7 N 2.51 0.00 0.39 3.79 -2.24 -0.99 -0.37 114.28 117.37 1c3t n THR 7 Ca -0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1c3t n THR 7 Cb 0.53 -1.28 0.24 0.00 -2.10 0.00 0.00 70.33 67.71 1c3t n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1c3t h LEU 8 N 0.00 0.00 -1.85 3.22 5.85 -1.91 -3.16 115.31 117.46 1c3t h LEU 8 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1c3t h LEU 8 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1c3t h LEU 8 CO 0.00 0.01 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 1c3t n THR 9 N -2.65 0.39 0.00 1.05 -2.24 -1.26 -4.93 114.28 104.64 1c3t n THR 9 Ca 0.04 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1c3t n THR 9 Cb 0.49 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.36 2.77 3.17 3.38 0.00 -1.19 -4.99 105.19 109.69 1c3t n GLY 10 Ca 0.18 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.68 1c3t n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c3t n LYS 11 N -0.28 0.00 -3.50 1.61 4.81 -1.26 -4.49 118.16 115.05 1c3t n LYS 11 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1c3t n LYS 11 Cb 0.00 -1.30 -0.10 0.00 0.02 0.00 0.00 35.03 33.64 1c3t n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1c3t s THR 12 N -0.12 5.18 0.02 3.15 2.01 -1.26 -2.35 115.64 122.27 1c3t s THR 12 Ca 0.80 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1c3t s THR 12 Cb -1.11 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 67.53 1c3t s THR 12 CO 0.52 -0.19 0.41 -0.22 -0.69 0.00 0.00 174.62 174.45 1c3t s LEU 13 N 1.68 4.45 -0.36 4.42 2.96 0.49 -4.90 118.68 127.42 1c3t s LEU 13 Ca 0.05 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1c3t s LEU 13 Cb -0.18 -2.67 0.10 0.00 0.50 0.00 0.00 46.19 43.94 1c3t s LEU 13 CO 0.10 0.29 0.08 -0.89 -1.32 0.00 0.00 176.35 174.61 1c3t s THR 14 N -1.15 2.44 0.24 3.68 2.01 -1.26 -0.07 115.64 121.53 1c3t s THR 14 Ca 0.26 -2.35 0.09 0.00 0.31 0.00 0.00 61.69 60.00 1c3t s THR 14 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1c3t s THR 14 CO 0.14 -0.62 -0.01 0.68 -0.69 0.00 0.00 174.62 174.12 1c3t s VAL 15 N 0.88 3.47 -0.11 3.82 -7.23 -0.31 -4.93 120.40 115.98 1c3t s VAL 15 Ca 0.11 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1c3t s VAL 15 Cb -0.20 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.93 1c3t s VAL 15 CO -0.07 -0.30 -0.18 -1.83 -0.31 0.00 0.00 175.10 172.41 1c3t s GLU 16 N -3.47 2.44 0.14 4.82 1.03 -1.26 0.19 118.70 122.61 1c3t s GLU 16 Ca 0.30 -0.65 0.03 0.00 0.03 0.00 0.00 54.97 54.68 1c3t s GLU 16 Cb -0.07 -2.01 -0.01 0.00 -0.80 0.00 0.00 34.13 31.24 1c3t s GLU 16 CO 0.19 -0.01 0.13 1.28 -1.33 0.00 0.00 175.26 175.52 1c3t n LEU 17 N 4.04 0.00 -4.52 1.83 4.77 -0.89 -4.90 117.00 117.32 1c3t n LEU 17 Ca -0.20 -1.36 -0.27 0.00 -0.03 0.00 0.00 56.01 54.15 1c3t n LEU 17 Cb 0.52 0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 42.27 1c3t n LEU 17 CO 0.25 -0.23 -0.45 -1.61 -1.33 0.00 0.00 177.39 174.02 1c3t s GLU 18 N -2.57 1.88 0.54 3.23 0.41 -1.26 -2.65 118.70 118.28 1c3t s GLU 18 Ca 0.17 -1.36 0.36 0.00 -0.41 0.00 0.00 54.97 53.72 1c3t s GLU 18 Cb 0.01 -2.05 1.77 0.00 -1.78 0.00 0.00 34.13 32.08 1c3t s GLU 18 CO 0.12 0.42 2.08 -1.00 -0.49 0.00 0.00 175.26 176.39 1c3t h PRO 19 N 2.98 0.00 0.00 0.39 0.13 -1.96 -1.64 132.00 131.90 1c3t h PRO 19 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1c3t h PRO 19 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1c3t h PRO 19 CO 0.52 0.00 -0.52 0.66 -0.23 0.00 0.00 178.00 178.44 1c3t h SER 20 N 0.00 0.00 -2.77 1.44 4.64 -1.96 -2.44 113.55 112.46 1c3t h SER 20 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1c3t h SER 20 Cb 0.19 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 62.49 1c3t h SER 20 CO 0.00 0.33 -0.28 0.47 -0.87 0.00 0.00 176.83 176.48 1c3t n ASP 21 N -3.11 -2.94 -4.35 4.97 8.00 -0.62 -4.75 116.55 113.76 1c3t n ASP 21 Ca 0.01 -0.46 -0.18 0.00 0.71 0.00 0.00 54.79 54.87 1c3t n ASP 21 Cb 0.68 -1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 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 -2.22 1.09 0.30 -3.53 -4.23 -1.26 -1.86 115.64 103.93 1c3t s THR 22 Ca 0.62 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1c3t s THR 22 Cb -0.16 -2.39 0.33 0.00 1.34 0.00 0.00 72.50 71.62 1c3t s THR 22 CO 0.58 -0.29 1.64 0.58 -0.54 0.00 0.00 174.62 176.59 1c3t h VAL 23 N 2.43 0.26 -0.25 2.29 2.07 -1.70 0.19 116.25 121.54 1c3t h VAL 23 Ca -0.39 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1c3t h VAL 23 Cb 1.23 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1c3t h VAL 23 CO 0.65 0.04 -0.19 -0.33 0.02 0.00 0.00 177.57 177.75 1c3t h GLU 24 N 0.19 -0.18 -0.26 1.57 5.08 -1.93 -0.27 114.58 118.79 1c3t h GLU 24 Ca 0.61 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.04 1c3t h GLU 24 Cb 1.30 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 1c3t h GLU 24 CO -0.68 -0.12 -0.14 -0.91 -1.00 0.00 0.00 179.01 176.16 1c3t h ASN 25 N -0.19 -0.46 0.27 1.42 -0.26 -1.03 0.36 115.58 115.68 1c3t h ASN 25 Ca 0.14 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1c3t h ASN 25 Cb 0.40 0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 1c3t h ASN 25 CO -0.37 -0.17 -0.35 0.25 -1.06 0.00 0.00 177.43 175.73 1c3t h LEU 26 N -0.11 -0.99 -0.77 1.61 5.85 -0.92 -2.29 115.31 117.70 1c3t h LEU 26 Ca 0.14 0.09 0.16 0.00 0.84 0.00 0.00 57.88 59.10 1c3t h LEU 26 Cb 0.32 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 1c3t h LEU 26 CO -0.33 -0.43 0.29 0.11 -0.34 0.00 0.00 178.44 177.74 1c3t h LYS 27 N -0.64 0.39 -0.64 1.25 1.57 -0.86 -1.17 116.57 116.48 1c3t h LYS 27 Ca -0.03 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1c3t h LYS 27 Cb 0.57 -0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.67 1c3t h LYS 27 CO -0.09 0.26 -0.30 0.00 -0.57 0.00 0.00 179.45 178.75 1c3t h ALA 28 N 1.58 0.08 -0.91 3.86 0.00 0.22 0.30 119.26 124.40 1c3t h ALA 28 Ca 0.43 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 1c3t h ALA 28 Cb 0.70 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1c3t h ALA 28 CO -0.44 -0.62 0.56 0.87 0.00 0.00 0.00 179.25 179.62 1c3t h LYS 29 N -0.12 1.23 -0.32 0.00 1.57 -0.69 -1.31 116.57 116.93 1c3t h LYS 29 Ca 0.26 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1c3t h LYS 29 Cb 0.55 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1c3t h LYS 29 CO -0.71 0.85 0.24 0.82 -0.57 0.00 0.00 179.45 180.08 1c3t h ILE 30 N 1.25 0.81 0.00 1.86 2.04 0.08 0.23 117.51 123.79 1c3t h ILE 30 Ca 0.33 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.16 1c3t h ILE 30 Cb -0.06 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1c3t h ILE 30 CO -0.06 0.00 -0.65 -0.61 0.00 0.00 0.00 178.15 176.82 1c3t h GLN 31 N 0.00 0.00 0.00 2.37 4.15 -0.12 0.20 115.11 121.71 1c3t h GLN 31 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1c3t h GLN 31 Cb 0.63 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1c3t h GLN 31 CO -0.00 0.08 -0.73 -3.47 -1.93 0.00 0.00 178.83 172.78 1c3t n ASP 32 N -2.90 0.66 0.01 -0.69 -0.08 0.52 -2.83 116.55 111.25 1c3t n ASP 32 Ca 0.01 0.01 -0.02 0.00 -1.51 0.00 0.00 54.79 53.27 1c3t n ASP 32 Cb 0.59 0.34 -0.01 0.00 2.34 0.00 0.00 41.12 44.38 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 -2.03 0.10 0.00 -0.67 4.76 0.44 -4.75 118.16 116.00 1c3t n LYS 33 Ca 0.03 0.04 0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1c3t n LYS 33 Cb 0.43 -0.67 0.32 0.00 -1.84 0.00 0.00 35.03 33.26 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 -3.59 0.64 -2.75 1.97 -0.58 0.34 -4.94 120.64 111.73 1c3t n GLU 34 Ca -0.04 -0.39 -0.21 0.00 -0.42 0.00 0.00 57.16 56.11 1c3t n GLU 34 Cb 0.19 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 1.39 -0.51 3.64 0.62 0.00 0.44 -4.90 105.19 105.87 1c3t n GLY 35 Ca 0.10 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.02 5.24 0.33 -0.61 1.01 -0.94 -4.87 121.20 118.33 1c3t s ILE 36 Ca 0.16 0.50 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 1c3t s ILE 36 Cb -0.08 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.64 1c3t s ILE 36 CO 0.20 0.24 1.48 -2.84 0.00 0.00 0.00 174.94 174.02 1c3t s PRO 37 N 1.52 4.17 0.48 2.79 0.02 -1.26 -3.67 135.00 139.05 1c3t s PRO 37 Ca 0.14 2.49 0.24 0.00 0.02 0.00 0.00 61.00 63.89 1c3t s PRO 37 Cb -0.15 -3.01 1.23 0.00 0.02 0.00 0.00 34.50 32.59 1c3t s PRO 37 CO 0.08 -0.49 2.00 -1.00 -0.33 0.00 0.00 177.00 177.25 1c3t h PRO 38 N 3.76 0.00 0.00 5.54 0.13 -1.94 -2.11 132.00 137.37 1c3t h PRO 38 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1c3t h PRO 38 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1c3t h PRO 38 CO 0.70 0.18 -0.08 0.22 -0.23 0.00 0.00 178.00 178.78 1c3t h ASP 39 N 0.00 0.00 -0.13 1.44 3.58 -2.01 -2.37 116.42 116.93 1c3t h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c3t h ASP 39 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1c3t h ASP 39 CO 0.02 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 1c3t n GLN 40 N -3.32 2.47 -3.13 0.28 6.02 -0.84 -4.93 117.38 113.94 1c3t n GLN 40 Ca -0.01 -2.21 -0.41 0.00 -0.01 0.00 0.00 57.00 54.36 1c3t n GLN 40 Cb 0.27 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.92 3.86 -0.34 -1.09 -0.21 -0.89 -1.11 119.66 117.95 1c3t s GLN 41 Ca 0.23 0.24 -0.00 0.00 0.02 0.00 0.00 55.36 55.84 1c3t s GLN 41 Cb 0.18 -3.74 0.08 0.00 1.00 0.00 0.00 33.01 30.53 1c3t s GLN 41 CO 0.06 -0.59 0.07 1.03 -2.12 0.00 0.00 175.29 173.74 1c3t s ARG 42 N 2.59 2.03 -0.33 2.91 0.52 -0.59 -4.97 118.95 121.10 1c3t s ARG 42 Ca 0.24 -1.61 -0.21 0.00 -0.52 0.00 0.00 55.73 53.63 1c3t s ARG 42 Cb -0.15 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 1c3t s ARG 42 CO 0.12 -0.84 0.66 -0.51 0.02 0.00 0.00 175.30 174.75 1c3t s LEU 43 N 1.11 4.18 -0.61 2.53 1.43 -1.26 -1.32 118.68 124.75 1c3t s LEU 43 Ca 0.03 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1c3t s LEU 43 Cb -0.21 -2.85 0.15 0.00 0.03 0.00 0.00 46.19 43.32 1c3t s LEU 43 CO -0.04 -0.57 0.40 -0.63 0.23 0.00 0.00 176.35 175.74 1c3t s ILE 44 N 2.74 3.40 -0.46 -0.59 -1.09 0.11 -1.87 121.20 123.43 1c3t s ILE 44 Ca 0.26 -3.12 -0.14 0.00 -2.23 0.00 0.00 60.65 55.43 1c3t s ILE 44 Cb -0.14 -3.25 0.08 0.00 -1.58 0.00 0.00 42.46 37.57 1c3t s ILE 44 CO 0.14 -0.86 0.37 0.12 -1.23 0.00 0.00 174.94 173.47 1c3t s PHE 45 N -0.20 3.27 -1.13 3.97 5.36 0.18 -3.05 117.98 126.37 1c3t s PHE 45 Ca 0.17 -1.12 -0.06 0.00 -0.96 0.00 0.00 56.93 54.97 1c3t s PHE 45 Cb -0.21 -3.16 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 1c3t s PHE 45 CO -0.03 -0.83 0.79 0.00 -1.46 0.00 0.00 175.22 173.69 1c3t n ALA 46 N 5.13 -0.95 -0.98 11.12 0.00 -1.26 -1.79 120.51 131.78 1c3t n ALA 46 Ca -0.12 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1c3t n ALA 46 Cb 0.43 -4.06 0.00 0.00 0.00 0.00 0.00 19.45 15.82 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 0.95 3.89 0.00 0.00 -1.26 -5.02 105.19 102.16 1c3t n GLY 47 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.02 3.53 -0.43 1.61 1.02 -0.74 -5.06 119.74 119.65 1c3t s LYS 48 Ca 0.00 -0.16 -0.10 0.00 0.02 0.00 0.00 55.97 55.74 1c3t s LYS 48 Cb 0.00 -3.09 0.08 0.00 -0.52 0.00 0.00 37.83 34.31 1c3t s LYS 48 CO 0.00 0.66 0.28 -0.65 -0.92 0.00 0.00 175.35 174.72 1c3t s GLN 49 N -1.80 2.62 -0.10 1.68 -0.21 -1.25 -0.65 119.66 119.95 1c3t s GLN 49 Ca 0.27 -1.48 -0.34 0.00 0.02 0.00 0.00 55.36 53.83 1c3t s GLN 49 Cb -0.13 -3.82 -0.12 0.00 1.00 0.00 0.00 33.01 29.94 1c3t s GLN 49 CO 0.16 -0.98 1.87 1.28 -2.12 0.00 0.00 175.29 175.51 1c3t n LEU 50 N 4.94 3.39 -4.69 2.90 4.77 -0.78 -4.94 117.00 122.59 1c3t n LEU 50 Ca -0.10 0.98 -0.38 0.00 -0.03 0.00 0.00 56.01 56.48 1c3t n LEU 50 Cb 0.43 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.09 1c3t n LEU 50 CO 0.40 -0.07 0.12 -1.61 -1.33 0.00 0.00 177.39 174.90 1c3t s GLU 51 N 4.02 4.23 -0.67 3.23 0.41 -1.26 -4.70 118.70 123.95 1c3t s GLU 51 Ca 0.93 0.28 -0.25 0.00 -0.41 0.00 0.00 54.97 55.52 1c3t s GLU 51 Cb -0.71 -3.50 -0.13 0.00 -1.78 0.00 0.00 34.13 28.01 1c3t s GLU 51 CO 0.52 0.03 2.44 -3.47 -0.49 0.00 0.00 175.26 174.29 1c3t n ASP 52 N 4.19 1.68 0.00 -0.19 2.03 -1.26 -2.08 116.55 120.92 1c3t n ASP 52 Ca -0.08 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1c3t n ASP 52 Cb 0.51 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 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 6.27 0.32 3.93 0.27 0.00 -1.26 -4.98 105.19 109.73 1c3t n GLY 53 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 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 3.50 0.05 1.61 3.00 -0.88 -4.90 118.95 121.33 1c3t s ARG 54 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 55.73 55.54 1c3t s ARG 54 Cb 0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 34.95 32.37 1c3t s ARG 54 CO 0.00 -0.03 0.37 0.95 0.00 0.00 0.00 175.30 176.59 1c3t s THR 55 N -2.53 5.13 0.34 0.02 -4.23 -1.26 -2.00 115.64 111.11 1c3t s THR 55 Ca 0.44 0.45 0.11 0.00 -1.18 0.00 0.00 61.69 61.51 1c3t s THR 55 Cb -0.10 -3.64 0.38 0.00 1.34 0.00 0.00 72.50 70.48 1c3t s THR 55 CO 0.40 0.35 1.58 -0.07 -0.54 0.00 0.00 174.62 176.34 1c3t h LEU 56 N 3.92 -0.07 -0.64 4.79 3.38 -1.45 1.07 115.31 126.32 1c3t h LEU 56 Ca -0.50 0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1c3t h LEU 56 Cb 1.20 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 1c3t h LEU 56 CO 0.65 -0.38 0.27 -1.28 0.09 0.00 0.00 178.44 177.80 1c3t h SER 57 N 0.03 0.86 -0.97 -0.43 0.87 -1.71 -2.45 113.55 109.75 1c3t h SER 57 Ca 0.72 -0.16 0.24 0.00 -1.23 0.00 0.00 61.79 61.36 1c3t h SER 57 Cb 1.70 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 63.36 1c3t h SER 57 CO -0.83 0.78 0.65 0.44 -0.53 0.00 0.00 176.83 177.33 1c3t h ASP 58 N 0.88 0.35 -0.67 6.23 3.32 0.91 0.66 116.42 128.10 1c3t h ASP 58 Ca 0.21 0.05 -0.25 0.00 0.02 0.00 0.00 57.03 57.06 1c3t h ASP 58 Cb 0.17 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 39.56 1c3t h ASP 58 CO -0.02 0.11 0.32 -1.22 -1.72 0.00 0.00 179.24 176.71 1c3t n TYR 59 N -4.50 2.18 -3.53 4.55 4.01 -0.93 -4.96 117.16 113.98 1c3t n TYR 59 Ca 0.22 -1.19 -0.35 0.00 -0.16 0.00 0.00 57.90 56.41 1c3t n TYR 59 Cb 0.83 -0.67 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.30 -5.49 -4.35 7.72 0.23 0.23 -4.92 115.26 108.39 1c3t n ASN 60 Ca 0.38 -0.28 -0.40 0.00 -0.53 0.00 0.00 54.58 53.76 1c3t n ASN 60 Cb 1.28 -1.82 -0.11 0.00 -2.08 0.00 0.00 39.78 37.05 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 -2.92 4.63 0.78 -4.53 1.43 -1.15 -5.02 118.68 111.90 1c3t s LEU 61 Ca 0.31 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1c3t s LEU 61 Cb -0.03 -1.99 0.15 0.00 0.03 0.00 0.00 46.19 44.35 1c3t s LEU 61 CO 0.88 -0.37 1.07 -1.10 0.23 0.00 0.00 176.35 177.05 1c3t s GLN 62 N 1.52 1.40 0.32 1.70 -0.21 -1.26 -4.87 119.66 118.26 1c3t s GLN 62 Ca 0.01 -1.06 -0.27 0.00 0.02 0.00 0.00 55.36 54.06 1c3t s GLN 62 Cb -0.19 -2.24 -0.09 0.00 1.00 0.00 0.00 33.01 31.48 1c3t s GLN 62 CO 0.06 -1.69 0.99 0.21 -2.12 0.00 0.00 175.29 172.74 1c3t s LYS 63 N -5.30 4.55 -1.21 2.91 2.20 -1.26 -3.86 119.74 117.78 1c3t s LYS 63 Ca 0.69 1.46 -0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1c3t s LYS 63 Cb -0.04 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1c3t s LYS 63 CO 0.46 0.22 1.01 0.39 -0.36 0.00 0.00 175.35 177.07 1c3t n GLU 64 N 0.68 -6.68 -3.89 4.03 4.71 -0.27 -5.00 120.64 114.22 1c3t n GLU 64 Ca 0.01 0.85 -0.32 0.00 -0.01 0.00 0.00 57.16 57.69 1c3t n GLU 64 Cb 0.49 -5.87 -0.04 0.00 -1.01 0.00 0.00 31.44 25.00 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1c3t s SER 65 N -4.32 6.38 -0.29 1.62 0.01 -1.25 -4.89 113.70 110.95 1c3t s SER 65 Ca 0.02 0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.56 1c3t s SER 65 Cb -0.01 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.25 1c3t s SER 65 CO 0.73 0.21 0.04 -0.89 0.41 0.00 0.00 173.24 173.74 1c3t s THR 66 N -1.43 3.58 -0.07 1.44 2.01 -1.26 0.12 115.64 120.03 1c3t s THR 66 Ca 0.32 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1c3t s THR 66 Cb -0.13 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1c3t s THR 66 CO 0.23 0.03 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.56 1c3t s ILE 67 N 1.41 4.19 -0.24 1.82 1.01 -0.33 -4.89 121.20 124.17 1c3t s ILE 67 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 1c3t s ILE 67 Cb -0.18 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1c3t s ILE 67 CO 0.01 0.57 0.52 -1.00 0.00 0.00 0.00 174.94 175.04 1c3t s HIS 68 N -0.91 3.30 -0.25 3.97 3.76 -1.17 -1.46 115.29 122.53 1c3t s HIS 68 Ca 0.14 0.69 -0.02 0.00 -0.15 0.00 0.00 55.06 55.72 1c3t s HIS 68 Cb -0.11 -2.71 0.02 0.00 1.11 0.00 0.00 32.58 30.88 1c3t s HIS 68 CO 0.03 -0.23 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.48 1c3t s LEU 69 N 2.12 3.21 -0.01 0.89 2.96 0.50 0.06 118.68 128.42 1c3t s LEU 69 Ca 0.22 -0.81 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1c3t s LEU 69 Cb -0.16 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1c3t s LEU 69 CO 0.09 -0.12 -0.16 0.68 -1.32 0.00 0.00 176.35 175.52 1c3t s VAL 70 N 1.36 2.94 -0.13 1.68 -7.23 -0.43 -3.70 120.40 114.88 1c3t s VAL 70 Ca 0.01 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 58.99 1c3t s VAL 70 Cb -0.16 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1c3t s VAL 70 CO -0.04 0.47 0.80 -0.22 -0.31 0.00 0.00 175.10 175.80 1c3t s LEU 71 N -1.07 4.23 -0.03 1.32 2.96 -1.26 -1.54 118.68 123.28 1c3t s LEU 71 Ca 0.13 1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 54.94 1c3t s LEU 71 Cb -0.11 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 1c3t s LEU 71 CO 0.03 -0.30 1.28 -0.60 -1.32 0.00 0.00 176.35 175.44 1c3t s ARG 72 N 1.68 4.32 0.99 1.98 3.00 -0.27 -5.00 118.95 125.65 1c3t s ARG 72 Ca 0.39 1.79 -0.15 0.00 -1.00 0.00 0.00 55.73 56.76 1c3t s ARG 72 Cb -0.17 -3.56 0.11 0.00 0.00 0.00 0.00 34.95 31.33 1c3t s ARG 72 CO 0.15 -0.50 0.06 1.47 0.00 0.00 0.00 175.30 176.48 1c3t n LEU 73 N 5.27 -1.74 0.00 -0.88 -0.00 -1.26 -4.89 117.00 113.50 1c3t n LEU 73 Ca 0.12 -0.28 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1c3t n LEU 73 Cb 0.45 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 1c3t n LEU 73 CO 0.57 -3.06 0.13 0.54 -0.00 0.00 0.00 177.39 175.57 1c3t n ARG 74 N -1.16 0.00 -3.45 1.47 1.74 -1.26 -4.92 116.66 109.08 1c3t n ARG 74 Ca 0.04 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 1c3t n ARG 74 Cb 0.41 -0.76 0.03 0.00 -1.02 0.00 0.00 32.46 31.13 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c3t n GLY 75 N -0.31 -0.04 3.77 -0.13 0.00 -1.26 -5.16 105.19 102.05 1c3t n GLY 75 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93