#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 3.54 -0.05 3.17 -0.21 -1.26 -2.04 119.66 122.81 1c3t s GLN 2 Ca 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 55.36 55.29 1c3t s GLN 2 Cb 0.00 -2.55 0.02 0.00 1.00 0.00 0.00 33.01 31.48 1c3t s GLN 2 CO 0.00 0.03 0.13 -0.51 -2.12 0.00 0.00 175.29 172.82 1c3t s LEU 3 N -4.30 1.24 -0.19 2.90 1.43 -0.23 0.06 118.68 119.60 1c3t s LEU 3 Ca 0.44 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1c3t s LEU 3 Cb -0.10 0.40 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 1c3t s LEU 3 CO 0.38 -0.08 0.06 -0.36 0.23 0.00 0.00 176.35 176.57 1c3t s PHE 4 N 0.46 3.22 -0.28 0.29 0.08 0.61 -1.82 117.98 120.54 1c3t s PHE 4 Ca -0.03 0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.05 1c3t s PHE 4 Cb -0.05 -2.09 0.07 0.00 -0.57 0.00 0.00 43.02 40.38 1c3t s PHE 4 CO -0.02 0.09 -0.07 0.08 -0.10 0.00 0.00 175.22 175.20 1c3t s VAL 5 N 0.50 2.26 -0.10 -0.44 1.01 -0.02 -1.20 120.40 122.40 1c3t s VAL 5 Ca 0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.19 1c3t s VAL 5 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1c3t s VAL 5 CO 0.01 -0.13 0.18 -1.59 0.00 0.00 0.00 175.10 173.56 1c3t s LYS 6 N 1.08 3.51 0.00 2.72 -2.85 -0.54 -1.26 119.74 122.40 1c3t s LYS 6 Ca -0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1c3t s LYS 6 Cb -0.20 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.38 1c3t s LYS 6 CO -0.05 0.77 0.00 0.25 0.10 0.00 0.00 175.35 176.41 1c3t n THR 7 N 1.96 0.00 1.35 3.79 -2.24 -1.20 -0.82 114.28 117.13 1c3t n THR 7 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1c3t n THR 7 Cb 0.55 -1.18 0.68 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.07 3.22 7.99 -1.26 -3.86 117.00 123.02 1c3t n LEU 8 Ca 0.00 0.17 -0.09 0.00 -0.01 0.00 0.00 56.01 56.09 1c3t n LEU 8 Cb 0.00 -0.17 -0.03 0.00 -0.11 0.00 0.00 43.42 43.11 1c3t n LEU 8 CO 0.00 -0.03 -0.62 0.35 -1.51 0.00 0.00 177.39 175.58 1c3t n THR 9 N -1.17 1.46 0.00 -5.08 -2.24 -1.26 -5.07 114.28 100.92 1c3t n THR 9 Ca 0.15 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1c3t n THR 9 Cb 0.15 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.15 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 1.72 1.79 3.65 3.38 0.00 -1.25 -5.12 105.19 109.35 1c3t n GLY 10 Ca -0.14 -0.14 -0.64 0.00 0.00 0.00 0.00 46.02 45.11 1c3t n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c3t n LYS 11 N 0.00 0.05 -3.77 1.61 5.02 -1.26 -4.55 118.16 115.27 1c3t n LYS 11 Ca 0.00 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 1c3t n LYS 11 Cb 0.00 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.36 1c3t n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1c3t s THR 12 N 1.79 3.96 -0.03 -0.18 2.01 -1.26 -3.23 115.64 118.70 1c3t s THR 12 Ca 0.99 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 1c3t s THR 12 Cb -1.39 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1c3t s THR 12 CO 0.71 0.11 0.55 -0.76 -0.69 0.00 0.00 174.62 174.54 1c3t s LEU 13 N 1.51 4.40 -0.21 4.42 1.43 -0.39 -4.81 118.68 125.01 1c3t s LEU 13 Ca 0.03 1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 54.14 1c3t s LEU 13 Cb -0.17 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1c3t s LEU 13 CO 0.02 0.11 0.03 -0.89 0.23 0.00 0.00 176.35 175.85 1c3t s THR 14 N -0.14 4.16 0.10 5.49 2.01 -1.26 -0.84 115.64 125.16 1c3t s THR 14 Ca 0.29 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.11 1c3t s THR 14 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1c3t s THR 14 CO 0.15 0.40 -0.15 0.68 -0.69 0.00 0.00 174.62 175.01 1c3t s VAL 15 N 1.13 1.30 -0.22 3.82 -7.23 -0.76 -4.95 120.40 113.49 1c3t s VAL 15 Ca 0.03 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1c3t s VAL 15 Cb -0.14 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 1c3t s VAL 15 CO 0.02 -0.28 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.88 1c3t s GLU 16 N -2.16 3.38 0.32 4.82 8.01 -1.26 -1.07 118.70 130.75 1c3t s GLU 16 Ca 0.04 -0.62 -0.04 0.00 0.01 0.00 0.00 54.97 54.35 1c3t s GLU 16 Cb -0.08 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.74 1c3t s GLU 16 CO 0.03 -0.19 0.46 -0.51 0.01 0.00 0.00 175.26 175.07 1c3t s LEU 17 N 1.45 0.88 0.25 1.80 1.43 -0.87 -4.98 118.68 118.65 1c3t s LEU 17 Ca 0.05 -1.38 0.10 0.00 -1.03 0.00 0.00 54.13 51.87 1c3t s LEU 17 Cb -0.14 1.49 -0.04 0.00 0.03 0.00 0.00 46.19 47.53 1c3t s LEU 17 CO -0.03 -1.26 -0.04 -1.61 0.23 0.00 0.00 176.35 173.64 1c3t s GLU 18 N -3.25 2.19 0.52 1.70 0.41 -1.26 -1.55 118.70 117.46 1c3t s GLU 18 Ca 0.29 -1.41 0.35 0.00 -0.41 0.00 0.00 54.97 53.79 1c3t s GLU 18 Cb -0.00 -2.13 1.77 0.00 -1.78 0.00 0.00 34.13 31.99 1c3t s GLU 18 CO 0.18 0.38 2.06 -1.00 -0.49 0.00 0.00 175.26 176.38 1c3t h PRO 19 N 2.16 0.00 0.00 0.39 0.13 -1.95 -0.89 132.00 131.83 1c3t h PRO 19 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1c3t h PRO 19 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c3t h PRO 19 CO 0.59 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.02 1c3t h SER 20 N 0.00 0.00 -4.16 1.44 4.64 -1.96 -1.15 113.55 112.36 1c3t h SER 20 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1c3t h SER 20 Cb 0.15 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.39 1c3t h SER 20 CO 0.00 0.00 0.26 -1.81 -0.87 0.00 0.00 176.83 174.41 1c3t s ASP 21 N -4.85 3.67 0.29 4.97 1.01 -0.34 -4.84 116.67 116.57 1c3t s ASP 21 Ca 0.10 1.72 0.11 0.00 0.71 0.00 0.00 52.55 55.19 1c3t s ASP 21 Cb 0.11 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 1c3t s ASP 21 CO 0.60 -2.55 -0.10 0.42 0.21 0.00 0.00 175.17 173.75 1c3t s THR 22 N -2.86 2.80 0.37 -1.27 -4.23 -1.26 -1.94 115.64 107.25 1c3t s THR 22 Ca 0.63 -2.17 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 1c3t s THR 22 Cb -0.19 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.44 1c3t s THR 22 CO 0.57 -0.35 1.74 0.58 -0.54 0.00 0.00 174.62 176.62 1c3t h VAL 23 N 2.06 0.48 -0.60 2.29 2.07 -1.77 0.22 116.25 121.00 1c3t h VAL 23 Ca -0.42 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.06 1c3t h VAL 23 Cb 1.25 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1c3t h VAL 23 CO 0.62 0.08 0.16 -0.33 0.02 0.00 0.00 177.57 178.12 1c3t h GLU 24 N 0.43 0.30 0.21 1.57 5.08 -1.95 0.15 114.58 120.37 1c3t h GLU 24 Ca 0.64 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.97 1c3t h GLU 24 Cb 1.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1c3t h GLU 24 CO -0.40 0.20 -0.10 -0.91 -1.00 0.00 0.00 179.01 176.80 1c3t h ASN 25 N 0.31 -0.24 -0.56 1.42 -0.26 -0.97 -1.23 115.58 114.06 1c3t h ASN 25 Ca 0.31 -0.11 0.11 0.00 -0.56 0.00 0.00 56.30 56.05 1c3t h ASN 25 Cb 0.44 0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 37.67 1c3t h ASN 25 CO -0.37 -0.03 -0.00 0.25 -1.06 0.00 0.00 177.43 176.22 1c3t h LEU 26 N -0.44 -0.25 -0.34 1.61 5.85 -0.98 -0.42 115.31 120.34 1c3t h LEU 26 Ca -0.03 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1c3t h LEU 26 Cb 0.34 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1c3t h LEU 26 CO 0.05 -0.09 0.14 0.11 -0.34 0.00 0.00 178.44 178.31 1c3t h LYS 27 N 0.12 0.29 -0.91 1.25 1.79 -0.59 -1.75 116.57 116.77 1c3t h LYS 27 Ca 0.29 -0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.97 1c3t h LYS 27 Cb 0.45 -0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 30.90 1c3t h LYS 27 CO -0.47 0.19 0.40 0.00 -1.08 0.00 0.00 179.45 178.49 1c3t h ALA 28 N 1.20 1.48 -0.15 3.86 0.00 0.16 0.17 119.26 125.98 1c3t h ALA 28 Ca 0.15 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1c3t h ALA 28 Cb 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1c3t h ALA 28 CO -0.13 -0.36 0.07 0.87 0.00 0.00 0.00 179.25 179.70 1c3t h LYS 29 N 0.39 0.21 -0.06 0.00 1.79 -0.72 0.35 116.57 118.53 1c3t h LYS 29 Ca 0.58 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 59.03 1c3t h LYS 29 Cb 1.12 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1c3t h LYS 29 CO -0.54 0.25 0.10 0.82 -1.08 0.00 0.00 179.45 179.00 1c3t h ILE 30 N 0.12 0.32 0.00 1.86 2.04 -0.32 0.13 117.51 121.66 1c3t h ILE 30 Ca 0.05 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1c3t h ILE 30 Cb 0.11 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1c3t h ILE 30 CO -0.01 0.00 -1.24 1.67 0.00 0.00 0.00 178.15 178.57 1c3t n GLN 31 N -3.53 0.61 0.00 2.37 7.27 -0.44 -1.32 117.38 122.34 1c3t n GLN 31 Ca -0.01 0.16 0.13 0.00 0.07 0.00 0.00 57.00 57.35 1c3t n GLN 31 Cb 0.19 -1.81 0.42 0.00 2.41 0.00 0.00 30.24 31.45 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 -2.76 0.91 0.04 1.69 2.03 0.34 -2.69 116.55 116.10 1c3t n ASP 32 Ca -0.05 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.44 1c3t n ASP 32 Cb 0.69 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1c3t n LYS 33 N -0.71 0.00 0.05 -0.67 4.76 -0.44 -4.82 118.16 116.34 1c3t n LYS 33 Ca 0.13 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.68 1c3t n LYS 33 Cb 0.33 -0.38 0.11 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 0.32 -2.94 1.97 1.02 -0.79 -4.97 120.64 111.95 1c3t n GLU 34 Ca 0.00 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1c3t n GLU 34 Cb 0.00 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 29.78 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c3t n GLY 35 N 1.33 0.09 3.69 0.62 0.00 -0.44 -4.95 105.19 105.53 1c3t n GLY 35 Ca 0.03 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.07 5.05 0.62 -0.61 1.01 -0.99 -4.90 121.20 118.32 1c3t s ILE 36 Ca 0.26 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 1c3t s ILE 36 Cb -0.12 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 1c3t s ILE 36 CO 0.33 0.47 1.30 -2.84 0.00 0.00 0.00 174.94 174.19 1c3t s PRO 37 N 0.24 2.73 0.34 2.79 0.02 -1.26 -3.75 135.00 136.11 1c3t s PRO 37 Ca 0.06 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.17 1c3t s PRO 37 Cb -0.12 -1.94 0.61 0.00 0.02 0.00 0.00 34.50 33.07 1c3t s PRO 37 CO -0.00 -1.47 2.01 -1.35 -0.33 0.00 0.00 177.00 175.85 1c3t h PRO 38 N 0.78 0.87 0.00 5.54 0.11 -1.96 -0.97 132.00 136.38 1c3t h PRO 38 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1c3t h PRO 38 Cb 1.33 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1c3t h PRO 38 CO 0.54 0.58 0.00 -3.47 -0.21 0.00 0.00 178.00 175.44 1c3t n ASP 39 N -4.44 0.00 -0.22 -2.05 -0.08 -1.26 -2.33 116.55 106.17 1c3t n ASP 39 Ca 0.07 -0.76 0.02 0.00 -1.51 0.00 0.00 54.79 52.61 1c3t n ASP 39 Cb 0.04 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.54 1c3t n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c3t n GLN 40 N -0.97 1.74 -3.55 -0.67 1.13 -0.37 -4.83 117.38 109.85 1c3t n GLN 40 Ca 0.16 -1.37 -0.41 0.00 -1.94 0.00 0.00 57.00 53.44 1c3t n GLN 40 Cb 0.07 -1.10 -0.07 0.00 0.11 0.00 0.00 30.24 29.26 1c3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1c3t s GLN 41 N -0.77 2.91 -0.81 -1.09 -0.21 -0.99 -4.18 119.66 114.52 1c3t s GLN 41 Ca 0.08 -2.36 -0.16 0.00 0.02 0.00 0.00 55.36 52.93 1c3t s GLN 41 Cb 0.04 -4.01 0.17 0.00 1.00 0.00 0.00 33.01 30.21 1c3t s GLN 41 CO 0.06 -1.22 0.85 0.50 -2.12 0.00 0.00 175.29 173.36 1c3t s ARG 42 N 0.29 3.49 -0.24 2.91 3.52 0.14 -4.90 118.95 124.16 1c3t s ARG 42 Ca 0.15 -2.05 -0.20 0.00 -0.13 0.00 0.00 55.73 53.50 1c3t s ARG 42 Cb -0.18 -4.54 -0.02 0.00 -1.56 0.00 0.00 34.95 28.65 1c3t s ARG 42 CO -0.05 -1.47 0.63 -0.51 -0.81 0.00 0.00 175.30 173.09 1c3t s LEU 43 N 1.36 4.09 -0.84 -0.88 1.43 -1.25 -0.11 118.68 122.48 1c3t s LEU 43 Ca 0.21 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1c3t s LEU 43 Cb -0.12 -2.86 0.27 0.00 0.03 0.00 0.00 46.19 43.51 1c3t s LEU 43 CO -0.06 -0.34 1.03 -0.38 0.23 0.00 0.00 176.35 176.83 1c3t n ILE 44 N 5.04 3.58 -1.53 -0.59 2.08 -0.87 -2.15 119.36 124.91 1c3t n ILE 44 Ca -0.01 -5.49 -0.26 0.00 0.56 0.00 0.00 62.75 57.55 1c3t n ILE 44 Cb 0.49 -2.12 -0.11 0.00 -0.75 0.00 0.00 39.64 37.15 1c3t n ILE 44 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 1c3t n PHE 45 N 1.17 0.87 -1.98 1.39 7.35 0.32 -1.76 117.46 124.83 1c3t n PHE 45 Ca 0.28 0.09 -0.11 0.00 -0.76 0.00 0.00 57.45 56.95 1c3t n PHE 45 Cb 0.37 -2.11 -0.02 0.00 0.35 0.00 0.00 39.48 38.07 1c3t n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1c3t n ALA 46 N 13.68 -0.54 0.00 3.13 0.00 -1.26 0.29 120.51 135.81 1c3t n ALA 46 Ca 0.52 0.12 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1c3t n ALA 46 Cb 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.53 0.86 3.62 0.00 0.00 -0.72 -5.09 105.19 103.33 1c3t n GLY 47 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.33 4.06 -0.75 1.61 1.02 0.14 -5.01 119.74 120.49 1c3t s LYS 48 Ca 0.00 0.36 -0.22 0.00 0.02 0.00 0.00 55.97 56.13 1c3t s LYS 48 Cb 0.00 -3.66 0.08 0.00 -0.52 0.00 0.00 37.83 33.73 1c3t s LYS 48 CO 0.00 -0.38 1.05 -1.14 -0.92 0.00 0.00 175.35 173.97 1c3t s GLN 49 N 2.36 3.27 -0.12 1.68 0.74 -1.26 -0.52 119.66 125.81 1c3t s GLN 49 Ca 0.22 -1.05 -0.33 0.00 0.05 0.00 0.00 55.36 54.25 1c3t s GLN 49 Cb -0.16 -4.47 -0.11 0.00 1.10 0.00 0.00 33.01 29.38 1c3t s GLN 49 CO 0.09 -1.85 1.95 1.28 -0.55 0.00 0.00 175.29 176.21 1c3t n LEU 50 N 7.60 3.37 -4.27 3.68 4.77 -0.91 -4.94 117.00 126.29 1c3t n LEU 50 Ca 0.06 0.84 -0.38 0.00 -0.03 0.00 0.00 56.01 56.50 1c3t n LEU 50 Cb 0.47 -1.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.04 1c3t n LEU 50 CO 0.61 -0.15 -0.26 -1.61 -1.33 0.00 0.00 177.39 174.65 1c3t s GLU 51 N 4.55 2.63 0.03 3.23 2.02 -1.26 -4.80 118.70 125.11 1c3t s GLU 51 Ca 0.95 -1.17 -0.28 0.00 0.02 0.00 0.00 54.97 54.49 1c3t s GLU 51 Cb -0.65 -3.46 -0.14 0.00 0.10 0.00 0.00 34.13 29.98 1c3t s GLU 51 CO 0.49 -0.66 0.70 -0.25 0.02 0.00 0.00 175.26 175.57 1c3t n ASP 52 N 4.81 -0.22 0.00 -0.19 8.00 -1.26 -2.30 116.55 125.39 1c3t n ASP 52 Ca -0.12 0.86 0.00 0.00 0.71 0.00 0.00 54.79 56.23 1c3t n ASP 52 Cb 0.45 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c3t n GLY 53 N 1.20 1.34 3.86 0.44 0.00 -1.26 -5.02 105.19 105.76 1c3t n GLY 53 Ca 0.15 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 3.89 0.28 1.61 1.81 -0.97 -4.88 118.95 120.68 1c3t s ARG 54 Ca 0.00 0.40 -0.05 0.00 -1.72 0.00 0.00 55.73 54.36 1c3t s ARG 54 Cb 0.00 -2.71 -0.05 0.00 -0.45 0.00 0.00 34.95 31.74 1c3t s ARG 54 CO 0.00 0.35 0.54 0.95 -0.68 0.00 0.00 175.30 176.46 1c3t s THR 55 N -1.73 5.03 0.31 0.02 -4.23 -1.26 -2.14 115.64 111.64 1c3t s THR 55 Ca 0.45 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1c3t s THR 55 Cb -0.12 -3.72 0.30 0.00 1.34 0.00 0.00 72.50 70.30 1c3t s THR 55 CO 0.20 -0.30 1.80 -0.07 -0.54 0.00 0.00 174.62 175.71 1c3t h LEU 56 N 1.76 0.78 -1.07 4.79 3.38 -1.42 0.61 115.31 124.14 1c3t h LEU 56 Ca -0.48 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1c3t h LEU 56 Cb 1.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1c3t h LEU 56 CO 0.66 0.31 0.00 -1.28 0.09 0.00 0.00 178.44 178.23 1c3t h SER 57 N 0.78 0.00 0.94 -0.43 0.87 -1.47 -2.18 113.55 112.07 1c3t h SER 57 Ca 0.55 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1c3t h SER 57 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1c3t h SER 57 CO -0.34 0.00 -0.09 0.47 -0.53 0.00 0.00 176.83 176.34 1c3t n ASP 58 N -2.68 0.13 0.00 6.23 8.00 0.21 -4.56 116.55 123.88 1c3t n ASP 58 Ca 0.01 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1c3t n ASP 58 Cb 0.27 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1c3t n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1c3t n TYR 59 N -1.55 0.00 0.00 1.24 4.01 -0.84 -4.94 117.16 115.09 1c3t n TYR 59 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1c3t n TYR 59 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.52 0.00 -4.63 7.72 6.94 -1.11 -5.13 115.26 118.54 1c3t n ASN 60 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 1c3t n ASN 60 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.00 3.84 0.60 -4.53 2.01 -1.17 -5.02 118.68 114.40 1c3t s LEU 61 Ca 0.00 0.91 0.05 0.00 0.01 0.00 0.00 54.13 55.10 1c3t s LEU 61 Cb 0.00 -3.54 0.08 0.00 0.01 0.00 0.00 46.19 42.74 1c3t s LEU 61 CO 0.00 -1.02 0.83 -1.10 1.01 0.00 0.00 176.35 176.06 1c3t s GLN 62 N 3.98 2.19 -0.11 1.70 -0.21 -1.26 -4.83 119.66 121.11 1c3t s GLN 62 Ca 0.48 -1.30 -0.29 0.00 0.02 0.00 0.00 55.36 54.27 1c3t s GLN 62 Cb -0.12 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.31 1c3t s GLN 62 CO 0.21 -0.96 1.84 0.21 -2.12 0.00 0.00 175.29 174.47 1c3t s LYS 63 N -4.80 3.84 -0.32 2.91 2.20 -1.26 -3.74 119.74 118.57 1c3t s LYS 63 Ca 0.62 2.11 -0.11 0.00 -0.36 0.00 0.00 55.97 58.23 1c3t s LYS 63 Cb -0.07 -4.13 0.01 0.00 -1.51 0.00 0.00 37.83 32.14 1c3t s LYS 63 CO 0.40 -1.27 0.41 0.39 -0.36 0.00 0.00 175.35 174.92 1c3t n GLU 64 N 7.73 -1.91 -4.51 4.03 1.02 0.11 -4.92 120.64 122.20 1c3t n GLU 64 Ca 0.21 1.79 -0.25 0.00 -0.02 0.00 0.00 57.16 58.89 1c3t n GLU 64 Cb 0.43 -4.65 -0.10 0.00 -0.02 0.00 0.00 31.44 27.10 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 -2.13 3.53 -0.13 1.62 0.01 -1.25 -4.92 113.70 110.44 1c3t s SER 65 Ca 0.17 -1.17 -0.06 0.00 1.31 0.00 0.00 55.95 56.21 1c3t s SER 65 Cb -0.05 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1c3t s SER 65 CO 0.59 -0.18 0.06 -0.89 0.41 0.00 0.00 173.24 173.23 1c3t s THR 66 N -2.66 4.84 0.01 1.44 2.01 -1.26 -0.29 115.64 119.73 1c3t s THR 66 Ca 0.31 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1c3t s THR 66 Cb 0.01 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1c3t s THR 66 CO 0.15 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.86 1c3t s ILE 67 N -0.41 1.12 -0.59 1.82 1.01 -0.34 -4.67 121.20 119.14 1c3t s ILE 67 Ca 0.09 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 1c3t s ILE 67 Cb -0.12 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.49 1c3t s ILE 67 CO 0.02 0.19 0.69 -1.00 0.00 0.00 0.00 174.94 174.85 1c3t s HIS 68 N -0.53 3.01 -0.77 3.97 3.76 -1.26 -1.47 115.29 121.99 1c3t s HIS 68 Ca 0.04 -0.95 -0.25 0.00 -0.15 0.00 0.00 55.06 53.75 1c3t s HIS 68 Cb -0.06 -3.98 0.05 0.00 1.11 0.00 0.00 32.58 29.69 1c3t s HIS 68 CO 0.00 -1.27 1.21 -1.17 -0.85 0.00 0.00 174.74 172.66 1c3t s LEU 69 N 2.65 3.67 0.25 0.89 0.20 0.00 -2.06 118.68 124.29 1c3t s LEU 69 Ca 0.11 -0.86 0.02 0.00 0.69 0.00 0.00 54.13 54.10 1c3t s LEU 69 Cb -0.24 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 42.97 1c3t s LEU 69 CO 0.06 -1.63 0.41 -0.69 -0.29 0.00 0.00 176.35 174.21 1c3t s VAL 70 N 4.96 5.21 -0.94 1.68 1.01 0.84 -4.18 120.40 128.98 1c3t s VAL 70 Ca 0.33 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1c3t s VAL 70 Cb -0.09 -3.82 0.26 0.00 0.00 0.00 0.00 36.38 32.73 1c3t s VAL 70 CO 0.08 -0.32 1.04 0.18 0.00 0.00 0.00 175.10 176.08 1c3t n LEU 71 N -1.23 4.99 -2.67 3.92 7.99 -1.26 0.25 117.00 128.99 1c3t n LEU 71 Ca -0.07 -5.20 -0.10 0.00 -0.01 0.00 0.00 56.01 50.64 1c3t n LEU 71 Cb 0.56 -1.13 0.01 0.00 -0.11 0.00 0.00 43.42 42.74 1c3t n LEU 71 CO 0.47 1.66 -0.33 -1.14 -1.51 0.00 0.00 177.39 176.54 1c3t n ARG 72 N 1.81 -0.60 -0.49 3.23 0.63 -1.26 -4.89 116.66 115.09 1c3t n ARG 72 Ca 0.25 0.74 -0.30 0.00 -0.92 0.00 0.00 57.85 57.62 1c3t n ARG 72 Cb 0.37 -0.99 0.28 0.00 0.45 0.00 0.00 32.46 32.57 1c3t n ARG 72 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c3t s LEU 73 N -1.12 -0.64 -0.00 6.15 1.43 -1.26 -4.97 118.68 118.28 1c3t s LEU 73 Ca 0.09 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1c3t s LEU 73 Cb -0.01 -2.42 -0.28 0.00 0.03 0.00 0.00 46.19 43.51 1c3t s LEU 73 CO 0.21 -5.07 0.84 0.08 0.23 0.00 0.00 176.35 172.65 1c3t h ARG 74 N -3.22 0.25 0.00 1.70 0.11 -2.06 -3.49 114.38 107.67 1c3t h ARG 74 Ca -0.46 -0.43 0.00 0.00 0.10 0.00 0.00 59.98 59.19 1c3t h ARG 74 Cb 1.33 0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.57 1c3t h ARG 74 CO 0.32 1.12 0.00 0.41 0.10 0.00 0.00 179.97 181.91 1c3t n GLY 75 N 1.68 3.77 0.59 0.08 0.00 -1.26 -5.32 105.19 104.73 1c3t n GLY 75 Ca -0.17 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93