#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 3.43 0.01 2.12 0.74 -1.26 -1.77 119.66 122.93 1c3t s GLN 2 Ca 0.00 -0.51 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1c3t s GLN 2 Cb 0.00 -3.00 -0.01 0.00 1.10 0.00 0.00 33.01 31.10 1c3t s GLN 2 CO 0.00 0.57 0.01 -0.51 -0.55 0.00 0.00 175.29 174.81 1c3t s LEU 3 N -2.82 2.04 -0.14 3.68 1.43 -0.46 0.25 118.68 122.66 1c3t s LEU 3 Ca 0.35 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1c3t s LEU 3 Cb -0.12 0.15 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 1c3t s LEU 3 CO 0.28 -0.19 -0.13 -0.36 0.23 0.00 0.00 176.35 176.18 1c3t s PHE 4 N -0.86 2.81 -0.19 0.29 0.40 0.60 -1.64 117.98 119.38 1c3t s PHE 4 Ca -0.09 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 55.50 1c3t s PHE 4 Cb -0.06 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.65 1c3t s PHE 4 CO -0.00 -0.29 -0.12 0.08 0.70 0.00 0.00 175.22 175.59 1c3t s VAL 5 N 0.50 1.71 0.12 -0.44 1.01 -0.78 -0.60 120.40 121.94 1c3t s VAL 5 Ca -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1c3t s VAL 5 Cb -0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1c3t s VAL 5 CO 0.04 0.23 0.27 -1.59 0.00 0.00 0.00 175.10 174.05 1c3t s LYS 6 N 1.38 3.45 0.31 2.72 0.00 -0.33 -0.78 119.74 126.47 1c3t s LYS 6 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 55.97 55.47 1c3t s LYS 6 Cb -0.16 -2.98 0.03 0.00 0.00 0.00 0.00 37.83 34.72 1c3t s LYS 6 CO -0.09 0.54 0.23 0.25 0.00 0.00 0.00 175.35 176.29 1c3t n THR 7 N -0.27 0.00 0.74 3.79 -2.24 0.82 0.07 114.28 117.18 1c3t n THR 7 Ca -0.06 -1.22 0.03 0.00 -2.27 0.00 0.00 64.05 60.53 1c3t n THR 7 Cb 0.53 -0.24 0.12 0.00 -2.10 0.00 0.00 70.33 68.64 1c3t n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1c3t n LEU 8 N 0.00 2.03 -0.06 3.22 0.00 -1.24 -3.36 117.00 117.59 1c3t n LEU 8 Ca -0.01 -1.03 0.02 0.00 0.00 0.00 0.00 56.01 54.99 1c3t n LEU 8 Cb 0.35 -0.39 0.03 0.00 0.00 0.00 0.00 43.42 43.41 1c3t n LEU 8 CO 0.21 0.36 0.44 0.35 0.00 0.00 0.00 177.39 178.74 1c3t n THR 9 N 0.22 0.89 0.00 1.96 -2.24 -1.26 -4.97 114.28 108.87 1c3t n THR 9 Ca 0.09 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1c3t n THR 9 Cb 0.41 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.55 2.56 3.69 3.38 0.00 -1.21 -5.00 105.19 108.06 1c3t n GLY 10 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.17 4.34 -0.08 1.61 2.20 -1.26 -4.80 119.74 121.58 1c3t s LYS 11 Ca 0.00 1.80 0.03 0.00 -0.36 0.00 0.00 55.97 57.44 1c3t s LYS 11 Cb 0.00 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1c3t s LYS 11 CO 0.00 -0.45 -0.17 0.99 -0.36 0.00 0.00 175.35 175.36 1c3t s THR 12 N 1.98 1.51 0.41 3.43 2.01 -1.26 -0.13 115.64 123.59 1c3t s THR 12 Ca 0.59 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1c3t s THR 12 Cb -0.28 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1c3t s THR 12 CO 0.25 0.44 0.29 -1.48 -0.69 0.00 0.00 174.62 173.43 1c3t s LEU 13 N 0.52 3.30 -0.06 4.42 0.05 0.04 -4.95 118.68 122.00 1c3t s LEU 13 Ca -0.16 -0.85 -0.01 0.00 0.05 0.00 0.00 54.13 53.16 1c3t s LEU 13 Cb -0.17 -1.83 0.03 0.00 -2.05 0.00 0.00 46.19 42.17 1c3t s LEU 13 CO 0.06 -0.57 -0.01 -0.89 -0.55 0.00 0.00 176.35 174.38 1c3t s THR 14 N -2.50 0.45 0.17 5.48 2.01 -1.26 -1.86 115.64 118.12 1c3t s THR 14 Ca 0.45 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.57 1c3t s THR 14 Cb -0.01 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1c3t s THR 14 CO 0.26 0.25 -0.11 0.68 -0.69 0.00 0.00 174.62 175.00 1c3t s VAL 15 N 1.64 3.11 -0.25 3.82 -7.23 -0.65 -4.98 120.40 115.86 1c3t s VAL 15 Ca 0.00 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1c3t s VAL 15 Cb -0.13 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.36 1c3t s VAL 15 CO -0.04 -0.08 0.01 -1.61 -0.31 0.00 0.00 175.10 173.07 1c3t s GLU 16 N -2.73 1.18 0.22 4.82 2.02 -1.26 -1.36 118.70 121.58 1c3t s GLU 16 Ca 0.24 -0.93 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1c3t s GLU 16 Cb -0.09 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 1c3t s GLU 16 CO 0.14 -0.71 0.37 -0.51 0.02 0.00 0.00 175.26 174.57 1c3t s LEU 17 N 1.52 0.61 0.22 1.80 1.02 -0.73 -4.99 118.68 118.14 1c3t s LEU 17 Ca -0.00 -0.98 -0.09 0.00 0.02 0.00 0.00 54.13 53.07 1c3t s LEU 17 Cb -0.18 1.39 -0.07 0.00 0.02 0.00 0.00 46.19 47.35 1c3t s LEU 17 CO -0.11 -1.02 0.53 -1.61 0.02 0.00 0.00 176.35 174.16 1c3t s GLU 18 N -4.03 3.78 0.64 1.70 0.41 -1.26 -3.68 118.70 116.26 1c3t s GLU 18 Ca 0.24 0.24 0.21 0.00 -0.41 0.00 0.00 54.97 55.25 1c3t s GLU 18 Cb 0.02 -2.67 1.01 0.00 -1.78 0.00 0.00 34.13 30.71 1c3t s GLU 18 CO 0.07 0.34 1.54 -1.35 -0.49 0.00 0.00 175.26 175.37 1c3t h PRO 19 N 2.60 0.00 -0.51 0.39 0.11 -1.96 0.40 132.00 133.02 1c3t h PRO 19 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1c3t h PRO 19 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1c3t h PRO 19 CO 0.69 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.99 1c3t h SER 20 N 0.00 1.02 -2.19 -2.05 4.64 -1.97 -1.12 113.55 111.87 1c3t h SER 20 Ca 0.15 -0.36 -0.56 0.00 -0.47 0.00 0.00 61.79 60.56 1c3t h SER 20 Cb 1.61 -0.28 0.22 0.00 -0.31 0.00 0.00 62.40 63.65 1c3t h SER 20 CO -0.00 1.15 -1.53 0.47 -0.87 0.00 0.00 176.83 176.05 1c3t n ASP 21 N -4.13 -4.97 -4.70 4.97 9.92 0.14 -4.55 116.55 113.23 1c3t n ASP 21 Ca 0.01 0.31 -0.25 0.00 -0.53 0.00 0.00 54.79 54.33 1c3t n ASP 21 Cb 0.43 -0.84 -0.08 0.00 -0.64 0.00 0.00 41.12 39.98 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 -2.03 2.32 0.55 -3.53 -4.23 -1.26 -1.64 115.64 105.81 1c3t s THR 22 Ca 0.46 -1.79 0.34 0.00 -1.18 0.00 0.00 61.69 59.52 1c3t s THR 22 Cb -0.25 -2.97 0.51 0.00 1.34 0.00 0.00 72.50 71.13 1c3t s THR 22 CO 0.77 -0.04 1.84 0.58 -0.54 0.00 0.00 174.62 177.23 1c3t h VAL 23 N 1.55 0.46 -0.37 2.29 2.07 -1.26 0.25 116.25 121.25 1c3t h VAL 23 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1c3t h VAL 23 Cb 1.25 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1c3t h VAL 23 CO 0.71 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 178.13 1c3t h GLU 24 N 0.00 0.55 0.26 1.57 5.08 -1.93 0.02 114.58 120.12 1c3t h GLU 24 Ca 0.48 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1c3t h GLU 24 Cb 1.97 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1c3t h GLU 24 CO -0.01 0.51 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.48 1c3t h ASN 25 N 0.46 -0.29 -0.49 1.42 4.21 -0.89 0.44 115.58 120.44 1c3t h ASN 25 Ca 0.12 -0.07 0.08 0.00 1.21 0.00 0.00 56.30 57.64 1c3t h ASN 25 Cb 0.16 0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 37.37 1c3t h ASN 25 CO -0.01 -0.11 0.11 0.25 -1.29 0.00 0.00 177.43 176.38 1c3t h LEU 26 N -0.46 0.04 0.17 1.61 5.85 -1.39 -2.27 115.31 118.87 1c3t h LEU 26 Ca -0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1c3t h LEU 26 Cb 0.34 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1c3t h LEU 26 CO 0.06 0.05 -0.08 0.11 -0.34 0.00 0.00 178.44 178.24 1c3t h LYS 27 N 0.26 -0.22 -0.99 1.25 1.57 -0.83 -2.47 116.57 115.14 1c3t h LYS 27 Ca 0.24 0.02 0.31 0.00 -1.87 0.00 0.00 60.65 59.34 1c3t h LYS 27 Cb 0.31 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 32.49 1c3t h LYS 27 CO -0.30 0.00 0.17 0.00 -0.57 0.00 0.00 179.45 178.75 1c3t h ALA 28 N 0.37 1.43 -0.09 3.86 0.00 0.35 0.68 119.26 125.87 1c3t h ALA 28 Ca -0.02 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1c3t h ALA 28 Cb 0.33 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1c3t h ALA 28 CO 0.04 -0.66 -0.01 0.87 0.00 0.00 0.00 179.25 179.49 1c3t h LYS 29 N 0.02 0.16 0.00 0.00 6.56 -1.23 -0.66 116.57 121.43 1c3t h LYS 29 Ca 0.66 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.20 1c3t h LYS 29 Cb 1.48 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 1c3t h LYS 29 CO -0.87 0.44 0.01 0.82 -2.06 0.00 0.00 179.45 177.79 1c3t h ILE 30 N -0.13 0.00 0.05 1.86 2.04 0.66 0.95 117.51 122.94 1c3t h ILE 30 Ca 0.03 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.57 1c3t h ILE 30 Cb 0.37 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1c3t h ILE 30 CO 0.01 0.00 -1.78 -0.61 0.00 0.00 0.00 178.15 175.77 1c3t h GLN 31 N 0.00 0.11 0.00 2.37 4.15 -0.11 -1.99 115.11 119.64 1c3t h GLN 31 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1c3t h GLN 31 Cb 0.02 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1c3t h GLN 31 CO 0.00 0.79 -0.60 -0.25 -1.93 0.00 0.00 178.83 176.84 1c3t n ASP 32 N -3.23 0.57 -0.07 -0.69 8.00 -0.29 -2.17 116.55 118.67 1c3t n ASP 32 Ca -0.22 -0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.02 1c3t n ASP 32 Cb 1.05 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 42.42 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 -1.70 0.41 0.02 -1.24 5.02 0.31 -4.67 118.16 116.32 1c3t n LYS 33 Ca 0.05 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 1c3t n LYS 33 Cb 0.37 -1.21 0.19 0.00 -0.02 0.00 0.00 35.03 34.36 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 -4.18 0.14 -1.88 1.97 -0.58 -0.79 -4.95 120.64 110.37 1c3t n GLU 34 Ca -0.16 0.03 -0.05 0.00 -0.42 0.00 0.00 57.16 56.55 1c3t n GLU 34 Cb 0.47 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.43 0.30 3.66 0.62 0.00 -0.92 -4.97 105.19 105.30 1c3t n GLY 35 Ca 0.04 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.25 4.66 0.37 -0.61 1.01 -0.96 -4.94 121.20 118.48 1c3t s ILE 36 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 1c3t s ILE 36 Cb 0.00 -3.06 -0.10 0.00 0.01 0.00 0.00 42.46 39.31 1c3t s ILE 36 CO 0.00 0.51 0.90 -2.16 0.00 0.00 0.00 174.94 174.20 1c3t s PRO 37 N -0.05 4.31 0.65 2.79 0.04 -1.26 -3.12 135.00 138.36 1c3t s PRO 37 Ca 0.06 1.11 0.35 0.00 0.04 0.00 0.00 61.00 62.55 1c3t s PRO 37 Cb -0.12 -2.45 1.90 0.00 0.04 0.00 0.00 34.50 33.86 1c3t s PRO 37 CO 0.01 0.12 2.10 -1.35 0.04 0.00 0.00 177.00 177.92 1c3t h PRO 38 N 2.45 0.00 0.00 0.56 0.11 -1.91 0.20 132.00 133.41 1c3t h PRO 38 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1c3t h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1c3t h PRO 38 CO 0.63 0.00 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.62 1c3t h ASP 39 N 0.00 0.00 -0.10 -2.05 3.32 -2.03 -3.19 116.42 112.37 1c3t h ASP 39 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1c3t h ASP 39 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1c3t h ASP 39 CO -0.00 0.37 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1c3t n GLN 40 N -3.32 1.16 -3.01 3.56 6.02 0.48 -4.83 117.38 117.44 1c3t n GLN 40 Ca 0.01 -1.30 -0.43 0.00 -0.01 0.00 0.00 57.00 55.27 1c3t n GLN 40 Cb 0.59 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.64 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 -0.76 3.31 -0.51 -1.09 -0.21 0.06 -2.63 119.66 117.82 1c3t s GLN 41 Ca 0.11 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 55.04 1c3t s GLN 41 Cb 0.07 -3.99 0.13 0.00 1.00 0.00 0.00 33.01 30.21 1c3t s GLN 41 CO 0.10 -1.19 0.40 0.50 -2.12 0.00 0.00 175.29 172.98 1c3t s ARG 42 N 3.20 2.63 -0.28 2.91 3.52 -0.25 -4.93 118.95 125.75 1c3t s ARG 42 Ca 0.25 -1.84 -0.20 0.00 -0.13 0.00 0.00 55.73 53.81 1c3t s ARG 42 Cb -0.14 -4.01 -0.01 0.00 -1.56 0.00 0.00 34.95 29.23 1c3t s ARG 42 CO 0.19 -1.22 0.63 -0.51 -0.81 0.00 0.00 175.30 173.58 1c3t s LEU 43 N 1.26 4.11 -0.31 -0.88 1.43 -1.26 0.03 118.68 123.05 1c3t s LEU 43 Ca 0.07 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1c3t s LEU 43 Cb -0.26 -2.84 0.09 0.00 0.03 0.00 0.00 46.19 43.22 1c3t s LEU 43 CO -0.01 -0.44 0.03 -0.63 0.23 0.00 0.00 176.35 175.54 1c3t s ILE 44 N 2.57 1.86 -0.38 -0.59 -1.09 0.24 -1.70 121.20 122.12 1c3t s ILE 44 Ca 0.26 -1.93 -0.12 0.00 -2.23 0.00 0.00 60.65 56.63 1c3t s ILE 44 Cb -0.15 -2.31 0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1c3t s ILE 44 CO 0.10 -0.50 0.23 0.12 -1.23 0.00 0.00 174.94 173.66 1c3t s PHE 45 N 1.14 3.24 -1.42 3.97 5.36 0.12 -2.09 117.98 128.30 1c3t s PHE 45 Ca 0.07 -0.85 -0.10 0.00 -0.96 0.00 0.00 56.93 55.09 1c3t s PHE 45 Cb -0.19 -2.47 0.04 0.00 -0.34 0.00 0.00 43.02 40.06 1c3t s PHE 45 CO -0.11 -0.62 1.09 0.00 -1.46 0.00 0.00 175.22 174.12 1c3t n ALA 46 N 5.04 -1.34 -0.05 11.12 0.00 -1.26 -0.69 120.51 133.33 1c3t n ALA 46 Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1c3t n ALA 46 Cb 0.46 -4.96 0.00 0.00 0.00 0.00 0.00 19.45 14.95 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 -1.86 2.59 3.61 0.00 0.00 -1.26 -4.99 105.19 103.28 1c3t n GLY 47 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 4.04 -0.41 1.61 2.20 0.13 -5.04 119.74 122.17 1c3t s LYS 48 Ca 0.00 0.15 -0.24 0.00 -0.36 0.00 0.00 55.97 55.51 1c3t s LYS 48 Cb 0.00 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1c3t s LYS 48 CO 0.00 -0.29 0.85 -1.14 -0.36 0.00 0.00 175.35 174.40 1c3t s GLN 49 N 2.12 3.65 0.55 4.03 0.74 -1.26 0.16 119.66 129.64 1c3t s GLN 49 Ca 0.17 0.25 -0.21 0.00 0.05 0.00 0.00 55.36 55.62 1c3t s GLN 49 Cb -0.16 -3.86 -0.05 0.00 1.10 0.00 0.00 33.01 30.04 1c3t s GLN 49 CO 0.10 -1.01 1.23 1.28 -0.55 0.00 0.00 175.29 176.34 1c3t n LEU 50 N 6.73 4.81 -4.34 3.68 4.77 -0.69 -5.00 117.00 126.96 1c3t n LEU 50 Ca 0.04 0.95 -0.33 0.00 -0.03 0.00 0.00 56.01 56.64 1c3t n LEU 50 Cb 0.48 -1.51 -0.15 0.00 -2.33 0.00 0.00 43.42 39.92 1c3t n LEU 50 CO 0.58 -0.97 -0.45 -1.61 -1.33 0.00 0.00 177.39 173.61 1c3t s GLU 51 N -2.77 3.35 -0.52 3.23 2.02 -1.26 -4.81 118.70 117.94 1c3t s GLU 51 Ca 0.72 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 54.72 1c3t s GLU 51 Cb -0.43 -2.64 -0.11 0.00 0.10 0.00 0.00 34.13 31.05 1c3t s GLU 51 CO 0.49 0.16 2.40 -0.40 0.02 0.00 0.00 175.26 177.93 1c3t n ASP 52 N 3.69 1.98 0.00 -0.19 5.75 -1.26 -1.61 116.55 124.91 1c3t n ASP 52 Ca -0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1c3t n ASP 52 Cb 0.52 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c3t n GLY 53 N 6.21 0.74 3.95 6.12 0.00 -1.26 -5.03 105.19 115.92 1c3t n GLY 53 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 3.44 0.40 1.61 3.52 -0.63 -4.88 118.95 122.42 1c3t s ARG 54 Ca 0.00 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1c3t s ARG 54 Cb 0.00 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.71 1c3t s ARG 54 CO 0.00 0.13 0.60 0.95 -0.81 0.00 0.00 175.30 176.17 1c3t s THR 55 N -2.31 4.21 0.02 4.11 -4.23 -1.26 -0.78 115.64 115.39 1c3t s THR 55 Ca 0.40 -0.63 -0.26 0.00 -1.18 0.00 0.00 61.69 60.03 1c3t s THR 55 Cb -0.10 -3.53 -0.17 0.00 1.34 0.00 0.00 72.50 70.05 1c3t s THR 55 CO 0.36 -0.32 1.29 -0.07 -0.54 0.00 0.00 174.62 175.33 1c3t h LEU 56 N 0.59 -0.35 -1.25 4.79 3.38 -1.12 -3.05 115.31 118.29 1c3t h LEU 56 Ca -0.47 -0.16 0.22 0.00 0.09 0.00 0.00 57.88 57.56 1c3t h LEU 56 Cb 1.25 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 42.00 1c3t h LEU 56 CO 0.57 -0.01 0.63 -1.28 0.09 0.00 0.00 178.44 178.43 1c3t h SER 57 N -0.72 0.58 -1.15 -0.43 0.87 -1.48 0.18 113.55 111.40 1c3t h SER 57 Ca -0.04 0.08 0.33 0.00 -1.23 0.00 0.00 61.79 60.93 1c3t h SER 57 Cb 0.49 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 1c3t h SER 57 CO 0.07 0.18 0.84 0.44 -0.53 0.00 0.00 176.83 177.83 1c3t h ASP 58 N 0.55 0.00 -0.55 6.23 3.32 -1.79 1.15 116.42 125.32 1c3t h ASP 58 Ca 0.56 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.39 1c3t h ASP 58 Cb 1.17 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 1c3t h ASP 58 CO -0.31 0.00 0.27 -1.22 -1.72 0.00 0.00 179.24 176.27 1c3t n TYR 59 N -4.14 1.78 -3.16 4.55 4.01 0.65 -4.87 117.16 115.98 1c3t n TYR 59 Ca 0.25 -1.05 -0.16 0.00 -0.16 0.00 0.00 57.90 56.78 1c3t n TYR 59 Cb 1.22 -0.58 -0.03 0.00 -0.31 0.00 0.00 39.34 39.64 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 -0.22 -1.25 -4.66 7.72 6.94 0.39 -4.83 115.26 119.35 1c3t n ASN 60 Ca 0.32 -0.18 -0.31 0.00 -0.02 0.00 0.00 54.58 54.39 1c3t n ASN 60 Cb 1.13 -1.16 0.17 0.00 -2.36 0.00 0.00 39.78 37.55 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 -5.56 2.67 0.44 -4.53 1.43 -1.25 -5.05 118.68 106.82 1c3t s LEU 61 Ca 0.31 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.54 1c3t s LEU 61 Cb -0.18 -4.45 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 1c3t s LEU 61 CO 0.38 -3.14 0.09 -1.10 0.23 0.00 0.00 176.35 172.81 1c3t s GLN 62 N -4.65 2.01 0.25 1.70 -0.21 -1.26 -4.94 119.66 112.56 1c3t s GLN 62 Ca 0.67 -2.24 -0.31 0.00 0.02 0.00 0.00 55.36 53.50 1c3t s GLN 62 Cb -0.23 -0.88 -0.11 0.00 1.00 0.00 0.00 33.01 32.79 1c3t s GLN 62 CO 0.58 -0.44 1.63 0.21 -2.12 0.00 0.00 175.29 175.15 1c3t s LYS 63 N -3.75 4.13 -0.29 2.91 2.47 -1.26 -3.83 119.74 120.12 1c3t s LYS 63 Ca 0.19 2.56 -0.17 0.00 -1.56 0.00 0.00 55.97 56.99 1c3t s LYS 63 Cb 0.02 -3.05 0.02 0.00 -1.46 0.00 0.00 37.83 33.37 1c3t s LYS 63 CO 0.11 -0.66 0.35 0.39 0.16 0.00 0.00 175.35 175.70 1c3t n GLU 64 N 2.91 -1.77 -3.42 4.03 1.02 0.14 -4.96 120.64 118.59 1c3t n GLU 64 Ca 0.11 1.58 -0.21 0.00 -0.02 0.00 0.00 57.16 58.62 1c3t n GLU 64 Cb 0.37 -2.93 -0.01 0.00 -0.02 0.00 0.00 31.44 28.85 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 -1.56 5.13 -0.27 1.62 0.01 -1.23 -4.86 113.70 112.53 1c3t s SER 65 Ca 0.18 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1c3t s SER 65 Cb -0.03 -0.33 0.07 0.00 0.21 0.00 0.00 66.02 65.94 1c3t s SER 65 CO 0.58 -0.83 -0.05 -0.89 0.41 0.00 0.00 173.24 172.45 1c3t s THR 66 N -2.52 1.93 -0.05 1.44 2.01 -1.26 -0.29 115.64 116.91 1c3t s THR 66 Ca 0.50 -1.63 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1c3t s THR 66 Cb -0.05 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1c3t s THR 66 CO 0.30 -0.19 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.29 1c3t s ILE 67 N 1.18 3.30 -0.15 1.82 1.09 0.23 -4.74 121.20 123.93 1c3t s ILE 67 Ca -0.03 -0.67 -0.16 0.00 -1.10 0.00 0.00 60.65 58.68 1c3t s ILE 67 Cb -0.19 -2.33 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 1c3t s ILE 67 CO -0.07 0.57 0.40 -1.00 -0.10 0.00 0.00 174.94 174.74 1c3t s HIS 68 N -0.79 3.47 -0.28 3.97 3.76 -0.89 -1.19 115.29 123.34 1c3t s HIS 68 Ca 0.12 0.73 -0.07 0.00 -0.15 0.00 0.00 55.06 55.70 1c3t s HIS 68 Cb -0.11 -2.47 -0.00 0.00 1.11 0.00 0.00 32.58 31.11 1c3t s HIS 68 CO 0.02 0.16 0.07 -1.17 -0.85 0.00 0.00 174.74 172.96 1c3t s LEU 69 N 0.70 3.67 0.01 0.89 0.20 0.11 -0.59 118.68 123.67 1c3t s LEU 69 Ca 0.21 -0.54 0.04 0.00 0.69 0.00 0.00 54.13 54.53 1c3t s LEU 69 Cb -0.14 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 1c3t s LEU 69 CO 0.07 -0.14 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.23 1c3t s VAL 70 N 1.53 3.60 -0.15 1.68 1.01 0.10 -3.66 120.40 124.51 1c3t s VAL 70 Ca 0.04 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 1c3t s VAL 70 Cb -0.16 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1c3t s VAL 70 CO 0.02 0.36 0.90 -0.22 0.00 0.00 0.00 175.10 176.16 1c3t s LEU 71 N -1.50 4.19 -0.49 3.92 1.98 -1.26 -1.09 118.68 124.43 1c3t s LEU 71 Ca 0.18 1.29 -0.45 0.00 -2.89 0.00 0.00 54.13 52.26 1c3t s LEU 71 Cb -0.11 -3.35 -0.19 0.00 0.66 0.00 0.00 46.19 43.20 1c3t s LEU 71 CO 0.08 -0.43 1.98 -1.14 -1.89 0.00 0.00 176.35 174.95 1c3t n ARG 72 N 5.23 0.04 -1.40 1.98 0.63 -1.08 -4.53 116.66 117.54 1c3t n ARG 72 Ca 0.06 0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.71 1c3t n ARG 72 Cb 0.49 -1.53 -0.18 0.00 0.45 0.00 0.00 32.46 31.69 1c3t n ARG 72 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1c3t n LEU 73 N 6.53 -0.56 -0.29 6.15 7.94 -1.26 -4.72 117.00 130.78 1c3t n LEU 73 Ca 0.47 -0.18 -0.03 0.00 -1.11 0.00 0.00 56.01 55.17 1c3t n LEU 73 Cb -0.04 -0.67 0.13 0.00 0.53 0.00 0.00 43.42 43.37 1c3t n LEU 73 CO 0.88 -1.01 1.16 -0.09 -1.11 0.00 0.00 177.39 177.22 1c3t h ARG 74 N 10.71 1.17 0.00 1.96 2.43 -2.02 -3.45 114.38 125.17 1c3t h ARG 74 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1c3t h ARG 74 Cb 1.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1c3t h ARG 74 CO 1.41 0.86 0.00 0.41 -1.51 0.00 0.00 179.97 181.14 1c3t n GLY 75 N -1.13 -0.99 0.00 2.80 0.00 -1.26 -5.31 105.19 99.29 1c3t n GLY 75 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93