#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl6 s SER 2 N 0.00 7.05 -0.10 1.61 0.15 -1.26 -5.02 113.70 116.14 2dl6 s SER 2 Ca 0.00 1.75 -0.14 0.00 0.70 0.00 0.00 55.95 58.26 2dl6 s SER 2 Cb 0.00 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2dl6 s SER 2 CO 0.00 -0.60 0.37 -0.44 1.20 0.00 0.00 173.24 173.76 2dl6 s SER 3 N 1.51 -0.34 0.73 5.45 0.01 -1.26 -5.17 113.70 114.63 2dl6 s SER 3 Ca 0.55 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2dl6 s SER 3 Cb -0.23 0.64 0.14 0.00 0.21 0.00 0.00 66.02 66.77 2dl6 s SER 3 CO 0.20 -0.23 1.01 -0.83 0.41 0.00 0.00 173.24 173.80 2dl6 s GLY 4 N -0.26 1.75 -0.03 3.44 0.00 -1.26 -5.11 107.32 105.84 2dl6 s GLY 4 Ca -0.04 -1.87 0.06 0.00 0.00 0.00 0.00 44.72 42.88 2dl6 s GLY 4 CO 0.02 -1.26 -0.22 -0.45 0.00 0.00 0.00 173.10 171.19 2dl6 s SER 5 N -4.79 2.69 -0.29 1.64 0.15 -1.26 -5.10 113.70 106.74 2dl6 s SER 5 Ca 0.67 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.92 2dl6 s SER 5 Cb -0.04 -0.52 0.18 0.00 -1.71 0.00 0.00 66.02 63.93 2dl6 s SER 5 CO 0.45 0.24 0.52 -0.55 1.20 0.00 0.00 173.24 175.10 2dl6 s SER 6 N -0.31 -0.87 0.29 5.45 0.15 -1.26 -5.01 113.70 112.14 2dl6 s SER 6 Ca 0.03 0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.87 2dl6 s SER 6 Cb -0.11 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.89 2dl6 s SER 6 CO 0.01 -0.31 0.14 -0.83 1.20 0.00 0.00 173.24 173.46 2dl6 s GLY 7 N 2.73 1.94 -0.08 9.45 0.00 -1.26 -5.15 107.32 114.96 2dl6 s GLY 7 Ca 0.12 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 42.91 2dl6 s GLY 7 CO -0.25 -1.58 0.41 1.85 0.00 0.00 0.00 173.10 173.53 2dl6 s GLU 8 N -3.89 4.14 0.00 2.90 2.56 -1.26 -4.95 118.70 118.19 2dl6 s GLU 8 Ca 0.36 0.36 0.11 0.00 0.00 0.00 0.00 54.97 55.80 2dl6 s GLU 8 Cb 0.06 -3.34 0.66 0.00 2.00 0.00 0.00 34.13 33.51 2dl6 s GLU 8 CO 0.16 0.40 1.10 -0.35 -0.56 0.00 0.00 175.26 176.01 2dl6 n PRO 9 N 2.86 0.49 -0.67 4.30 -0.04 -1.26 -4.81 135.00 135.87 2dl6 n PRO 9 Ca -0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 2dl6 n PRO 9 Cb 0.52 -1.35 0.21 0.00 -0.04 0.00 0.00 33.50 32.84 2dl6 n PRO 9 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dl6 s ASN 10 N -1.86 1.85 1.30 3.54 0.01 -1.26 -5.00 114.94 113.53 2dl6 s ASN 10 Ca 0.17 1.72 -0.20 0.00 -0.71 0.00 0.00 52.86 53.84 2dl6 s ASN 10 Cb 0.08 -2.37 0.32 0.00 0.41 0.00 0.00 41.25 39.69 2dl6 s ASN 10 CO 0.13 -3.69 1.00 -1.00 -1.51 0.00 0.00 177.10 172.03 2dl6 s HIS 11 N -2.58 0.13 -2.00 2.20 3.76 -1.26 -4.86 115.29 110.68 2dl6 s HIS 11 Ca 0.67 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.24 2dl6 s HIS 11 Cb -0.23 -3.11 0.02 0.00 1.11 0.00 0.00 32.58 30.36 2dl6 s HIS 11 CO 0.62 -4.41 0.94 1.47 -0.85 0.00 0.00 174.74 172.51 2dl6 n LEU 12 N -5.21 0.00 -4.63 0.89 -0.00 -1.26 -4.89 117.00 101.90 2dl6 n LEU 12 Ca 0.11 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.67 2dl6 n LEU 12 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.99 2dl6 n LEU 12 CO 0.46 0.00 0.77 -0.67 -0.00 0.00 0.00 177.39 177.95 2dl6 n ASP 13 N -0.50 1.95 -4.82 1.45 2.03 -1.26 -5.00 116.55 110.41 2dl6 n ASP 13 Ca 0.00 1.17 -0.30 0.00 0.52 0.00 0.00 54.79 56.18 2dl6 n ASP 13 Cb 0.00 -1.35 -0.05 0.00 -0.72 0.00 0.00 41.12 39.00 2dl6 n ASP 13 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2dl6 s VAL 14 N -0.70 1.40 -0.02 5.18 -7.23 -1.26 -5.11 120.40 112.66 2dl6 s VAL 14 Ca 0.62 -1.79 -0.25 0.00 -1.81 0.00 0.00 61.98 58.76 2dl6 s VAL 14 Cb -0.69 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2dl6 s VAL 14 CO 0.57 0.00 0.75 -1.81 -0.31 0.00 0.00 175.10 174.30 2dl6 s ASP 15 N -4.04 7.10 0.24 4.85 1.01 -1.26 -4.94 116.67 119.63 2dl6 s ASP 15 Ca 0.18 1.33 -0.03 0.00 0.71 0.00 0.00 52.55 54.74 2dl6 s ASP 15 Cb 0.00 -2.45 0.49 0.00 1.01 0.00 0.00 42.92 41.98 2dl6 s ASP 15 CO 0.11 -0.08 1.28 0.18 0.21 0.00 0.00 175.17 176.87 2dl6 n LEU 16 N 3.42 -0.21 -0.30 1.23 4.77 -1.26 0.23 117.00 124.89 2dl6 n LEU 16 Ca -0.01 1.40 -0.05 0.00 -0.03 0.00 0.00 56.01 57.32 2dl6 n LEU 16 Cb 0.51 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 2dl6 n LEU 16 CO 0.47 -1.38 1.08 -0.33 -1.33 0.00 0.00 177.39 175.91 2dl6 h GLU 17 N 0.00 1.20 -6.09 3.23 3.07 -1.98 -3.10 114.58 110.92 2dl6 h GLU 17 Ca 0.44 -0.19 -0.66 0.00 -0.50 0.00 0.00 59.36 58.44 2dl6 h GLU 17 Cb 0.79 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2dl6 h GLU 17 CO -0.81 0.94 1.26 2.41 -1.40 0.00 0.00 179.01 181.41 2dl6 n THR 18 N -4.30 0.32 -1.01 1.13 -1.04 0.64 -4.80 114.28 105.21 2dl6 n THR 18 Ca 0.08 -0.20 -0.29 0.00 -2.04 0.00 0.00 64.05 61.59 2dl6 n THR 18 Cb 0.16 -1.71 0.17 0.00 -1.82 0.00 0.00 70.33 67.13 2dl6 n THR 18 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2dl6 s ARG 19 N 5.26 0.66 -0.13 -2.82 1.81 -1.26 -3.55 118.95 118.92 2dl6 s ARG 19 Ca 1.03 0.86 -0.02 0.00 -1.72 0.00 0.00 55.73 55.88 2dl6 s ARG 19 Cb -0.81 -1.74 0.04 0.00 -0.45 0.00 0.00 34.95 31.99 2dl6 s ARG 19 CO 0.51 -2.66 -0.00 0.42 -0.68 0.00 0.00 175.30 172.89 2dl6 s ILE 20 N -2.81 0.58 0.38 1.52 -1.09 -1.19 -4.86 121.20 113.72 2dl6 s ILE 20 Ca 0.65 -0.23 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 2dl6 s ILE 20 Cb -0.20 -0.84 -0.09 0.00 -1.58 0.00 0.00 42.46 39.75 2dl6 s ILE 20 CO 0.59 0.10 1.20 -2.16 -1.23 0.00 0.00 174.94 173.44 2dl6 s PRO 21 N 1.87 4.15 0.02 2.79 0.04 -1.26 -4.58 135.00 138.03 2dl6 s PRO 21 Ca 0.03 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 2dl6 s PRO 21 Cb -0.14 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.61 2dl6 s PRO 21 CO -0.07 -0.26 0.25 0.14 0.04 0.00 0.00 177.00 177.10 2dl6 s VAL 22 N -1.33 0.08 -0.19 -0.36 -7.23 -1.16 -2.22 120.40 108.00 2dl6 s VAL 22 Ca 0.54 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2dl6 s VAL 22 Cb -0.33 -0.73 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2dl6 s VAL 22 CO 0.42 -0.37 -0.17 -0.51 -0.31 0.00 0.00 175.10 174.16 2dl6 s ILE 23 N -1.93 2.29 0.86 -0.62 2.07 0.56 -0.28 121.20 124.15 2dl6 s ILE 23 Ca -0.10 -0.87 -0.12 0.00 -1.41 0.00 0.00 60.65 58.15 2dl6 s ILE 23 Cb -0.04 -1.98 0.10 0.00 0.13 0.00 0.00 42.46 40.67 2dl6 s ILE 23 CO 0.00 0.51 1.11 -3.20 -1.91 0.00 0.00 174.94 171.45 2dl6 n ASN 24 N 4.65 0.50 -0.08 4.50 4.05 0.61 -2.04 115.26 127.45 2dl6 n ASN 24 Ca -0.20 0.51 -0.09 0.00 0.45 0.00 0.00 54.58 55.24 2dl6 n ASN 24 Cb 0.50 -1.47 -0.10 0.00 1.23 0.00 0.00 39.78 39.94 2dl6 n ASN 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2dl6 n LYS 25 N -3.44 1.19 0.18 1.20 5.02 -0.86 -3.51 118.16 117.94 2dl6 n LYS 25 Ca 0.12 0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.38 2dl6 n LYS 25 Cb 0.51 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 2dl6 n LYS 25 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dl6 h VAL 26 N 0.00 0.00 0.14 -0.18 2.07 -1.94 -3.38 116.25 112.96 2dl6 h VAL 26 Ca -0.41 -0.19 -0.34 0.00 0.82 0.00 0.00 66.70 66.59 2dl6 h VAL 26 Cb 1.81 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2dl6 h VAL 26 CO -0.01 0.00 -1.77 -0.78 0.02 0.00 0.00 177.57 175.03 2dl6 h ASP 27 N -0.66 0.46 -0.06 0.57 3.58 -1.95 -3.49 116.42 114.88 2dl6 h ASP 27 Ca -0.05 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.49 2dl6 h ASP 27 Cb 0.36 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2dl6 h ASP 27 CO 0.08 1.78 0.00 0.61 -2.88 0.00 0.00 179.24 178.83 2dl6 n GLY 28 N 1.88 1.31 3.82 -0.78 0.00 -1.23 -5.06 105.19 105.13 2dl6 n GLY 28 Ca -0.28 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2dl6 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dl6 s THR 29 N -2.06 5.18 -0.27 2.61 2.01 -1.26 -4.74 115.64 117.12 2dl6 s THR 29 Ca 0.00 0.67 -0.11 0.00 0.31 0.00 0.00 61.69 62.56 2dl6 s THR 29 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2dl6 s THR 29 CO 0.00 0.54 0.19 -0.22 -0.69 0.00 0.00 174.62 174.45 2dl6 s LEU 30 N -0.74 4.05 -0.15 4.42 2.96 -1.26 -0.28 118.68 127.68 2dl6 s LEU 30 Ca 0.21 0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.99 2dl6 s LEU 30 Cb -0.15 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2dl6 s LEU 30 CO 0.10 -0.02 0.49 -0.76 -1.32 0.00 0.00 176.35 174.84 2dl6 s LEU 31 N 1.54 4.22 -0.01 -0.68 1.43 0.62 -4.97 118.68 120.83 2dl6 s LEU 31 Ca 0.08 0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 53.86 2dl6 s LEU 31 Cb -0.15 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2dl6 s LEU 31 CO 0.09 -0.08 0.13 0.68 0.23 0.00 0.00 176.35 177.40 2dl6 s VAL 32 N 1.07 0.07 0.00 -1.59 -7.23 -1.26 -2.97 120.40 108.49 2dl6 s VAL 32 Ca 0.25 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2dl6 s VAL 32 Cb -0.15 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.40 2dl6 s VAL 32 CO 0.10 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2dl6 n GLY 33 N 1.73 1.64 0.12 2.32 0.00 -1.26 -3.90 105.19 105.84 2dl6 n GLY 33 Ca -0.21 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 2dl6 n GLY 33 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dl6 h GLU 34 N 0.00 0.21 -0.88 1.61 4.11 -1.97 -3.35 114.58 114.30 2dl6 h GLU 34 Ca 0.00 -0.35 0.36 0.00 0.07 0.00 0.00 59.36 59.44 2dl6 h GLU 34 Cb 0.00 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.22 2dl6 h GLU 34 CO 0.00 1.17 0.46 -0.25 0.07 0.00 0.00 179.01 180.45 2dl6 n ASP 35 N -4.04 0.29 -4.77 3.06 8.00 -1.25 -4.27 116.55 113.56 2dl6 n ASP 35 Ca -0.24 1.46 -0.38 0.00 0.71 0.00 0.00 54.79 56.35 2dl6 n ASP 35 Cb 0.84 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 2dl6 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dl6 s ALA 36 N -5.36 3.25 1.07 2.24 0.00 -1.26 -4.94 121.76 116.76 2dl6 s ALA 36 Ca -0.08 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 2dl6 s ALA 36 Cb 0.30 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 20.28 2dl6 s ALA 36 CO 0.69 0.07 0.30 -0.35 0.00 0.00 0.00 175.76 176.46 2dl6 n PRO 37 N 0.75 -1.61 -3.90 0.00 -0.04 -1.26 -4.78 135.00 124.16 2dl6 n PRO 37 Ca 0.01 -0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 62.78 2dl6 n PRO 37 Cb 0.49 -0.45 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 2dl6 n PRO 37 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dl6 s ARG 38 N -3.68 2.96 0.07 0.54 0.52 -1.26 -3.18 118.95 114.91 2dl6 s ARG 38 Ca 0.20 -1.08 -0.26 0.00 -0.52 0.00 0.00 55.73 54.06 2dl6 s ARG 38 Cb -0.02 -2.62 -0.17 0.00 0.52 0.00 0.00 34.95 32.66 2dl6 s ARG 38 CO 0.15 0.25 1.62 -0.09 0.02 0.00 0.00 175.30 177.25 2dl6 h ARG 39 N 1.27 -0.22 -0.56 3.54 9.65 -1.59 0.89 114.38 127.37 2dl6 h ARG 39 Ca -0.47 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.52 2dl6 h ARG 39 Cb 1.25 0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 29.77 2dl6 h ARG 39 CO 0.59 -0.08 -0.33 0.00 2.80 0.00 0.00 179.97 182.95 2dl6 h ALA 40 N 0.51 -0.07 0.00 2.80 0.00 -1.88 -0.00 119.26 120.61 2dl6 h ALA 40 Ca -0.02 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2dl6 h ALA 40 Cb 0.24 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2dl6 h ALA 40 CO 0.04 -0.68 -0.77 1.05 0.00 0.00 0.00 179.25 178.89 2dl6 h GLU 41 N -0.18 0.00 -1.03 0.00 4.11 -1.88 -3.29 114.58 112.32 2dl6 h GLU 41 Ca 0.22 0.00 0.34 0.00 0.07 0.00 0.00 59.36 59.99 2dl6 h GLU 41 Cb 0.55 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 2dl6 h GLU 41 CO -0.66 0.77 0.69 -0.11 0.07 0.00 0.00 179.01 179.77 2dl6 n LEU 42 N -3.55 0.11 0.28 3.06 7.94 0.31 0.42 117.00 125.57 2dl6 n LEU 42 Ca -0.00 0.87 -0.11 0.00 -1.11 0.00 0.00 56.01 55.66 2dl6 n LEU 42 Cb 0.76 -0.43 -0.05 0.00 0.53 0.00 0.00 43.42 44.23 2dl6 n LEU 42 CO 0.44 -0.93 0.46 -0.08 -1.11 0.00 0.00 177.39 176.17 2dl6 h GLU 43 N 0.00 -0.69 0.00 1.96 4.57 -1.63 0.34 114.58 119.13 2dl6 h GLU 43 Ca 0.60 0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.78 2dl6 h GLU 43 Cb 2.07 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.81 2dl6 h GLU 43 CO -0.24 -0.46 -0.23 0.52 -1.18 0.00 0.00 179.01 177.42 2dl6 h MET 44 N -0.79 0.00 -0.30 1.92 2.86 -0.29 -2.65 114.93 115.69 2dl6 h MET 44 Ca -0.07 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 2dl6 h MET 44 Cb 0.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 2dl6 h MET 44 CO 0.12 0.23 -0.44 2.35 1.06 0.00 0.00 176.91 180.23 2dl6 h TRP 45 N 0.00 1.01 0.00 -0.22 7.01 -0.51 -2.88 115.95 120.37 2dl6 h TRP 45 Ca -0.00 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 60.66 2dl6 h TRP 45 Cb 0.42 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2dl6 h TRP 45 CO 0.00 1.15 0.00 -0.07 -2.79 0.00 0.00 178.44 176.73 2dl6 h LEU 46 N 0.59 0.00 -0.26 0.65 3.38 0.02 0.52 115.31 120.22 2dl6 h LEU 46 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2dl6 h LEU 46 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2dl6 h LEU 46 CO 0.10 0.00 0.03 1.56 0.09 0.00 0.00 178.44 180.22 2dl6 h GLN 47 N 0.00 0.43 -0.00 1.13 1.08 -1.26 -2.38 115.11 114.11 2dl6 h GLN 47 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2dl6 h GLN 47 Cb 0.38 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2dl6 h GLN 47 CO 0.00 0.57 -0.50 0.41 -0.95 0.00 0.00 178.83 178.36 2dl6 n GLY 48 N -0.42 -0.10 1.22 3.46 0.00 -1.13 -4.50 105.19 103.72 2dl6 n GLY 48 Ca -0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 2dl6 n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dl6 n HIS 49 N -1.09 1.19 0.98 1.61 8.25 0.18 -4.74 115.22 121.59 2dl6 n HIS 49 Ca 0.03 -1.81 0.06 0.00 -0.26 0.00 0.00 57.72 55.74 2dl6 n HIS 49 Cb 0.19 -0.37 0.36 0.00 1.12 0.00 0.00 29.99 31.30 2dl6 n HIS 49 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2dl6 n PRO 50 N -0.98 0.49 0.00 -0.41 -0.04 -0.90 -3.01 135.00 130.15 2dl6 n PRO 50 Ca 0.31 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 2dl6 n PRO 50 Cb 0.84 -1.39 0.45 0.00 -0.04 0.00 0.00 33.50 33.36 2dl6 n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dl6 n GLU 51 N -0.89 0.33 -3.61 0.54 0.00 -1.26 -4.74 120.64 111.00 2dl6 n GLU 51 Ca 0.09 0.09 -0.22 0.00 0.00 0.00 0.00 57.16 57.13 2dl6 n GLU 51 Cb 0.04 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.96 2dl6 n GLU 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2dl6 s PHE 52 N -2.41 2.43 -0.09 -1.84 0.40 -1.16 -2.03 117.98 113.28 2dl6 s PHE 52 Ca 0.19 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 2dl6 s PHE 52 Cb 0.12 -2.12 0.04 0.00 0.51 0.00 0.00 43.02 41.57 2dl6 s PHE 52 CO 0.24 -0.24 0.20 0.00 0.70 0.00 0.00 175.22 176.13 2dl6 s ALA 53 N -2.54 -0.43 0.01 5.36 0.00 -0.86 -4.92 121.76 118.37 2dl6 s ALA 53 Ca 0.46 0.86 -0.36 0.00 0.00 0.00 0.00 51.96 52.92 2dl6 s ALA 53 Cb -0.03 -0.59 -0.14 0.00 0.00 0.00 0.00 23.12 22.36 2dl6 s ALA 53 CO 0.27 -0.21 1.62 0.28 0.00 0.00 0.00 175.76 177.72 2dl6 n VAL 54 N 4.30 0.19 -1.63 0.00 0.31 -1.26 -0.32 118.33 119.92 2dl6 n VAL 54 Ca -0.24 -0.03 -0.48 0.00 -0.01 0.00 0.00 64.34 63.57 2dl6 n VAL 54 Cb 0.52 -1.38 -0.04 0.00 -0.91 0.00 0.00 33.84 32.03 2dl6 n VAL 54 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dl6 n ASP 55 N 4.27 2.32 0.25 4.52 5.75 -0.94 -4.83 116.55 127.88 2dl6 n ASP 55 Ca 0.20 1.11 0.13 0.00 -0.01 0.00 0.00 54.79 56.23 2dl6 n ASP 55 Cb 0.24 -1.32 0.60 0.00 -1.03 0.00 0.00 41.12 39.60 2dl6 n ASP 55 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2dl6 h PRO 56 N 4.79 0.00 -0.70 0.11 0.13 -1.93 -3.03 132.00 131.37 2dl6 h PRO 56 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2dl6 h PRO 56 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2dl6 h PRO 56 CO 0.80 0.13 0.17 0.00 -0.23 0.00 0.00 178.00 178.87 2dl6 h ARG 57 N 0.00 1.12 0.30 0.86 -0.00 -2.00 -2.89 114.38 111.77 2dl6 h ARG 57 Ca -0.00 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.98 59.20 2dl6 h ARG 57 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.41 2dl6 h ARG 57 CO 0.02 0.98 -0.14 0.35 0.00 0.00 0.00 179.97 181.17 2dl6 h PHE 58 N 1.06 -0.37 -0.69 3.04 3.57 -1.91 -3.20 116.94 118.42 2dl6 h PHE 58 Ca 0.22 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.83 2dl6 h PHE 58 Cb 0.37 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 39.10 2dl6 h PHE 58 CO 0.03 -0.06 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.62 2dl6 h LEU 59 N -0.70 -1.27 -0.66 0.59 3.38 -1.59 -1.41 115.31 113.65 2dl6 h LEU 59 Ca -0.04 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.25 2dl6 h LEU 59 Cb 0.48 0.63 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 2dl6 h LEU 59 CO 0.07 -0.30 -0.55 0.00 0.09 0.00 0.00 178.44 177.74 2dl6 h ALA 60 N 1.05 -0.66 -0.74 1.53 0.00 -1.53 0.70 119.26 119.62 2dl6 h ALA 60 Ca 0.26 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.40 2dl6 h ALA 60 Cb 0.56 1.23 -0.14 0.00 0.00 0.00 0.00 17.79 19.45 2dl6 h ALA 60 CO -0.76 -0.98 -0.06 0.98 0.00 0.00 0.00 179.25 178.43 2dl6 n TYR 61 N -5.23 0.40 0.02 0.00 9.36 -0.53 0.15 117.16 121.32 2dl6 n TYR 61 Ca -0.01 0.89 -0.12 0.00 3.32 0.00 0.00 57.90 61.98 2dl6 n TYR 61 Cb 0.29 -1.01 -0.07 0.00 -0.63 0.00 0.00 39.34 37.92 2dl6 n TYR 61 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2dl6 h MET 62 N 0.00 0.02 -0.92 2.98 2.86 -0.85 -3.08 114.93 115.94 2dl6 h MET 62 Ca 0.41 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.20 2dl6 h MET 62 Cb 0.78 -0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.29 2dl6 h MET 62 CO -0.72 0.12 -0.37 0.93 1.06 0.00 0.00 176.91 177.93 2dl6 h GLU 63 N -0.10 -0.03 -0.91 1.72 4.39 0.17 1.27 114.58 121.09 2dl6 h GLU 63 Ca 0.00 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.93 2dl6 h GLU 63 Cb 0.11 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 2dl6 h GLU 63 CO -0.00 -0.02 0.61 0.22 -1.16 0.00 0.00 179.01 178.66 2dl6 h ASP 64 N -0.03 0.29 0.22 1.42 3.58 -1.38 0.21 116.42 120.72 2dl6 h ASP 64 Ca 0.33 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 2dl6 h ASP 64 Cb 0.59 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2dl6 h ASP 64 CO -0.93 0.11 -0.10 0.03 -2.88 0.00 0.00 179.24 175.46 2dl6 h ARG 65 N 0.28 -0.28 -0.81 0.28 2.47 0.16 -3.25 114.38 113.22 2dl6 h ARG 65 Ca 0.46 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 59.37 2dl6 h ARG 65 Cb 1.35 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.68 2dl6 h ARG 65 CO -0.14 -0.19 0.54 0.07 0.56 0.00 0.00 179.97 180.81 2dl6 h ARG 66 N -0.43 0.44 -1.44 0.04 0.11 -1.06 -1.42 114.38 110.63 2dl6 h ARG 66 Ca -0.03 -0.03 0.49 0.00 0.10 0.00 0.00 59.98 60.51 2dl6 h ARG 66 Cb 0.22 -0.10 -0.13 0.00 1.11 0.00 0.00 29.97 31.07 2dl6 h ARG 66 CO 0.05 0.29 0.94 0.87 0.10 0.00 0.00 179.97 182.22 2dl6 h LYS 67 N 0.46 0.01 -6.68 0.08 1.57 -0.62 -3.40 116.57 107.99 2dl6 h LYS 67 Ca 0.41 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.84 2dl6 h LYS 67 Cb 0.91 -0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.41 2dl6 h LYS 67 CO -0.15 0.01 -0.31 0.00 -0.57 0.00 0.00 179.45 178.43 2dl6 n GLN 68 N -4.66 -3.30 -3.95 3.15 10.64 -0.54 -5.06 117.38 113.67 2dl6 n GLN 68 Ca 0.41 -0.97 -0.10 0.00 -1.83 0.00 0.00 57.00 54.51 2dl6 n GLN 68 Cb 1.61 -1.81 -0.06 0.00 -0.86 0.00 0.00 30.24 29.12 2dl6 n GLN 68 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2dl6 s LYS 69 N -4.26 1.25 -0.15 2.61 2.20 -1.26 -5.05 119.74 115.08 2dl6 s LYS 69 Ca 0.57 -1.17 0.16 0.00 -0.36 0.00 0.00 55.97 55.17 2dl6 s LYS 69 Cb -0.13 0.41 0.54 0.00 -1.51 0.00 0.00 37.83 37.14 2dl6 s LYS 69 CO 0.53 -0.48 1.45 0.91 -0.36 0.00 0.00 175.35 177.40 2dl6 n TRP 70 N -0.26 1.03 -1.78 4.03 7.02 -1.26 -5.02 117.44 121.19 2dl6 n TRP 70 Ca -0.06 -0.78 -0.33 0.00 -1.02 0.00 0.00 57.50 55.30 2dl6 n TRP 70 Cb 0.63 -0.29 0.05 0.00 -2.42 0.00 0.00 31.31 29.28 2dl6 n TRP 70 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2dl6 s GLN 71 N -2.46 2.79 0.16 -0.99 0.74 -1.26 -4.92 119.66 113.72 2dl6 s GLN 71 Ca 0.41 1.46 -0.26 0.00 0.05 0.00 0.00 55.36 57.02 2dl6 s GLN 71 Cb 0.31 -1.94 -0.02 0.00 1.10 0.00 0.00 33.01 32.46 2dl6 s GLN 71 CO 0.12 -1.27 1.39 -2.13 -0.55 0.00 0.00 175.29 172.85 2dl6 n ARG 72 N -2.31 -0.37 -1.59 1.67 0.63 -1.26 -4.15 116.66 109.28 2dl6 n ARG 72 Ca 0.11 1.37 -0.45 0.00 -0.92 0.00 0.00 57.85 57.95 2dl6 n ARG 72 Cb 0.52 -2.01 -0.04 0.00 0.45 0.00 0.00 32.46 31.37 2dl6 n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dl6 s LYS 74 N 5.63 1.50 -0.37 0.00 1.02 -1.26 -4.96 119.74 121.31 2dl6 s LYS 74 Ca 0.99 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 56.01 2dl6 s LYS 74 Cb -0.51 0.54 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2dl6 s LYS 74 CO 0.42 -0.68 0.55 0.21 -0.92 0.00 0.00 175.35 174.93 2dl6 s LYS 75 N -3.69 3.52 0.26 1.68 2.47 -1.26 -5.03 119.74 117.69 2dl6 s LYS 75 Ca 0.09 -0.21 -0.08 0.00 -1.56 0.00 0.00 55.97 54.21 2dl6 s LYS 75 Cb -0.04 -3.85 -0.01 0.00 -1.46 0.00 0.00 37.83 32.47 2dl6 s LYS 75 CO 0.02 -0.75 0.41 1.21 0.16 0.00 0.00 175.35 176.40 2dl6 s ASN 76 N 1.82 0.16 0.35 1.43 2.47 -1.26 -5.04 114.94 114.87 2dl6 s ASN 76 Ca 0.20 -1.13 -0.06 0.00 0.42 0.00 0.00 52.86 52.28 2dl6 s ASN 76 Cb -0.15 0.56 -0.05 0.00 -1.45 0.00 0.00 41.25 40.16 2dl6 s ASN 76 CO 0.15 -1.12 0.64 0.21 -3.72 0.00 0.00 177.10 173.26 2dl6 s ASN 77 N -3.09 6.43 0.55 -4.21 2.47 -1.26 -5.07 114.94 110.77 2dl6 s ASN 77 Ca 0.27 0.84 -0.18 0.00 0.42 0.00 0.00 52.86 54.21 2dl6 s ASN 77 Cb 0.01 -2.20 -0.05 0.00 -1.45 0.00 0.00 41.25 37.55 2dl6 s ASN 77 CO 0.12 -0.31 1.07 -0.55 -3.72 0.00 0.00 177.10 173.71 2dl6 s SER 78 N -3.34 5.93 0.00 -4.21 0.15 -1.26 -5.01 113.70 105.96 2dl6 s SER 78 Ca 0.46 1.93 0.00 0.00 0.70 0.00 0.00 55.95 59.04 2dl6 s SER 78 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2dl6 s SER 78 CO 0.32 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.31 2dl6 n GLY 79 N -0.49 -0.97 3.77 9.45 0.00 -1.26 -5.16 105.19 110.53 2dl6 n GLY 79 Ca 0.10 0.78 -0.34 0.00 0.00 0.00 0.00 46.02 46.55 2dl6 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl6 s PRO 80 N 0.00 3.09 0.21 1.61 0.04 -1.26 -5.05 135.00 133.64 2dl6 s PRO 80 Ca 0.00 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 2dl6 s PRO 80 Cb 0.00 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2dl6 s PRO 80 CO 0.00 -1.04 0.96 -1.12 0.04 0.00 0.00 177.00 175.84 2dl6 s SER 81 N -2.16 -0.07 -0.07 6.66 0.01 -1.26 -5.09 113.70 111.72 2dl6 s SER 81 Ca 0.70 -0.64 -0.04 0.00 1.31 0.00 0.00 55.95 57.28 2dl6 s SER 81 Cb -0.22 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 2dl6 s SER 81 CO 0.34 -1.08 0.17 0.28 0.41 0.00 0.00 173.24 173.36 2dl6 h SER 82 N 2.00 -0.12 0.00 2.44 0.02 -2.11 -3.58 113.55 112.21 2dl6 h SER 82 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2dl6 h SER 82 Cb 1.23 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dl6 h SER 82 CO 0.32 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.94