#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 -0.17 -0.15 1.61 1.04 -1.26 -5.07 113.70 109.70 2dl6 s SER 2 Ca 0.00 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 2dl6 s SER 2 Cb 0.00 0.30 -0.08 0.00 0.10 0.00 0.00 66.02 66.34 2dl6 s SER 2 CO 0.00 -0.12 0.01 0.28 0.98 0.00 0.00 173.24 174.39 2dl6 h SER 3 N 6.69 0.00 0.00 7.02 0.02 -2.04 -3.51 113.55 121.73 2dl6 h SER 3 Ca -0.35 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2dl6 h SER 3 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dl6 h SER 3 CO 0.40 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.64 2dl6 n GLY 4 N 1.59 4.07 0.18 -3.77 0.00 -1.26 -5.04 105.19 100.96 2dl6 n GLY 4 Ca -0.13 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2dl6 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dl6 h SER 5 N 0.00 -0.31 -2.05 1.61 0.87 -2.00 -3.42 113.55 108.24 2dl6 h SER 5 Ca 0.00 -0.22 -0.55 0.00 -1.23 0.00 0.00 61.79 59.79 2dl6 h SER 5 Cb 0.00 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2dl6 h SER 5 CO 0.00 0.13 1.47 -0.44 -0.53 0.00 0.00 176.83 177.46 2dl6 s SER 6 N -5.19 5.29 0.00 6.23 0.01 -1.26 -4.09 113.70 114.69 2dl6 s SER 6 Ca -0.13 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2dl6 s SER 6 Cb 0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2dl6 s SER 6 CO 0.49 -2.17 0.00 0.61 0.41 0.00 0.00 173.24 172.58 2dl6 n GLY 7 N 5.74 0.61 3.34 3.44 0.00 -1.26 -5.16 105.19 111.90 2dl6 n GLY 7 Ca 0.29 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2dl6 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dl6 s GLU 8 N 0.00 1.92 0.49 1.61 -1.05 -1.26 -5.02 118.70 115.39 2dl6 s GLU 8 Ca 0.00 -1.05 0.27 0.00 -0.15 0.00 0.00 54.97 54.05 2dl6 s GLU 8 Cb 0.00 -2.02 1.15 0.00 -0.44 0.00 0.00 34.13 32.82 2dl6 s GLU 8 CO 0.00 0.53 1.92 -1.00 0.95 0.00 0.00 175.26 177.66 2dl6 h PRO 9 N 4.98 0.00 -6.23 -4.83 0.13 -2.01 -3.47 132.00 120.56 2dl6 h PRO 9 Ca -0.46 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 2dl6 h PRO 9 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2dl6 h PRO 9 CO 0.45 0.15 -0.77 0.09 -0.23 0.00 0.00 178.00 177.68 2dl6 n ASN 10 N -3.36 -3.96 -1.61 1.44 3.02 -1.26 -4.86 115.26 104.68 2dl6 n ASN 10 Ca -0.00 -0.78 0.09 0.00 -0.03 0.00 0.00 54.58 53.86 2dl6 n ASN 10 Cb 0.36 -3.97 0.36 0.00 -0.61 0.00 0.00 39.78 35.92 2dl6 n ASN 10 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dl6 n HIS 11 N -4.60 1.55 0.16 3.10 8.25 -1.26 -4.50 115.22 117.92 2dl6 n HIS 11 Ca -0.05 -0.60 -0.07 0.00 -0.26 0.00 0.00 57.72 56.74 2dl6 n HIS 11 Cb 0.57 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 2dl6 n HIS 11 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dl6 h LEU 12 N 3.99 -0.41 -0.96 2.41 3.38 -1.98 -3.48 115.31 118.27 2dl6 h LEU 12 Ca 0.00 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 2dl6 h LEU 12 Cb 1.50 0.11 0.12 0.00 0.09 0.00 0.00 40.66 42.47 2dl6 h LEU 12 CO 0.27 -0.01 -0.56 0.47 0.09 0.00 0.00 178.44 178.69 2dl6 n ASP 13 N -4.87 -5.27 -4.05 -0.43 9.92 -1.26 -5.00 116.55 105.58 2dl6 n ASP 13 Ca -0.06 -0.45 -0.30 0.00 -0.53 0.00 0.00 54.79 53.45 2dl6 n ASP 13 Cb 0.19 -4.22 0.20 0.00 -0.64 0.00 0.00 41.12 36.65 2dl6 n ASP 13 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2dl6 s VAL 14 N -3.26 1.87 -0.14 2.53 -7.23 -1.26 -5.04 120.40 107.86 2dl6 s VAL 14 Ca 0.44 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 2dl6 s VAL 14 Cb -0.19 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 2dl6 s VAL 14 CO 0.60 0.00 0.25 -1.81 -0.31 0.00 0.00 175.10 173.83 2dl6 s ASP 15 N -4.54 6.43 0.20 4.85 1.01 -1.26 -4.99 116.67 118.37 2dl6 s ASP 15 Ca 0.73 0.51 -0.14 0.00 0.71 0.00 0.00 52.55 54.35 2dl6 s ASP 15 Cb -0.06 -2.15 0.21 0.00 1.01 0.00 0.00 42.92 41.93 2dl6 s ASP 15 CO 0.54 0.20 1.31 0.18 0.21 0.00 0.00 175.17 177.61 2dl6 n LEU 16 N 3.05 -0.53 -0.30 1.23 4.77 -1.26 0.23 117.00 124.18 2dl6 n LEU 16 Ca -0.14 1.47 0.10 0.00 -0.03 0.00 0.00 56.01 57.41 2dl6 n LEU 16 Cb 0.52 -0.34 0.33 0.00 -2.33 0.00 0.00 43.42 41.60 2dl6 n LEU 16 CO 0.37 -1.33 1.22 -0.33 -1.33 0.00 0.00 177.39 176.00 2dl6 h GLU 17 N 0.00 0.77 -6.27 3.23 4.39 -1.98 -3.17 114.58 111.54 2dl6 h GLU 17 Ca 0.30 -0.05 -0.65 0.00 0.34 0.00 0.00 59.36 59.30 2dl6 h GLU 17 Cb 0.51 -0.17 0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2dl6 h GLU 17 CO -0.84 0.51 0.94 2.41 -1.16 0.00 0.00 179.01 180.87 2dl6 n THR 18 N -4.59 0.36 -1.13 1.13 -1.04 0.62 -4.81 114.28 104.82 2dl6 n THR 18 Ca 0.18 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.83 2dl6 n THR 18 Cb 0.44 -1.53 0.22 0.00 -1.82 0.00 0.00 70.33 67.63 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 3.14 -0.62 -0.23 -2.82 1.81 -1.26 -2.92 118.95 116.06 2dl6 s ARG 19 Ca 0.92 0.13 -0.03 0.00 -1.72 0.00 0.00 55.73 55.02 2dl6 s ARG 19 Cb -0.83 -1.65 0.10 0.00 -0.45 0.00 0.00 34.95 32.12 2dl6 s ARG 19 CO 0.54 -3.35 0.22 0.42 -0.68 0.00 0.00 175.30 172.44 2dl6 s ILE 20 N -3.01 -0.29 0.34 1.52 -1.09 -1.05 -4.72 121.20 112.89 2dl6 s ILE 20 Ca 0.69 -0.26 -0.28 0.00 -2.23 0.00 0.00 60.65 58.57 2dl6 s ILE 20 Cb -0.13 -0.76 -0.10 0.00 -1.58 0.00 0.00 42.46 39.90 2dl6 s ILE 20 CO 0.57 -0.32 1.21 -2.16 -1.23 0.00 0.00 174.94 173.01 2dl6 s PRO 21 N 2.29 4.34 -0.02 2.79 0.04 -1.26 -4.19 135.00 138.99 2dl6 s PRO 21 Ca 0.07 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.09 2dl6 s PRO 21 Cb -0.15 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2dl6 s PRO 21 CO -0.18 -0.13 0.06 0.14 0.04 0.00 0.00 177.00 176.93 2dl6 s VAL 22 N -1.22 0.02 -0.31 -0.36 -7.23 -1.16 -2.11 120.40 108.02 2dl6 s VAL 22 Ca 0.50 -0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.45 2dl6 s VAL 22 Cb -0.35 -0.15 0.02 0.00 0.56 0.00 0.00 36.38 36.46 2dl6 s VAL 22 CO 0.46 -0.08 0.11 -0.51 -0.31 0.00 0.00 175.10 174.76 2dl6 s ILE 23 N -0.23 4.06 0.90 -0.62 2.07 0.98 -0.45 121.20 127.90 2dl6 s ILE 23 Ca -0.03 -0.77 -0.11 0.00 -1.41 0.00 0.00 60.65 58.33 2dl6 s ILE 23 Cb -0.02 -3.15 0.10 0.00 0.13 0.00 0.00 42.46 39.53 2dl6 s ILE 23 CO 0.00 -0.00 0.97 -3.20 -1.91 0.00 0.00 174.94 170.80 2dl6 n ASN 24 N 4.88 -0.13 -0.08 4.50 4.05 0.19 -2.97 115.26 125.70 2dl6 n ASN 24 Ca -0.14 0.44 -0.10 0.00 0.45 0.00 0.00 54.58 55.23 2dl6 n ASN 24 Cb 0.47 -1.41 -0.09 0.00 1.23 0.00 0.00 39.78 39.98 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 -3.38 0.99 0.43 1.20 5.02 -1.22 -3.39 118.16 117.81 2dl6 n LYS 25 Ca 0.11 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.27 2dl6 n LYS 25 Cb 0.52 -1.34 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.15 0.03 -0.18 2.07 -1.94 -3.37 116.25 113.00 2dl6 h VAL 26 Ca -0.37 -0.10 -0.39 0.00 0.82 0.00 0.00 66.70 66.67 2dl6 h VAL 26 Cb 1.67 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2dl6 h VAL 26 CO -0.03 0.01 -2.28 -0.67 0.02 0.00 0.00 177.57 174.62 2dl6 n ASP 27 N -5.53 2.00 0.00 0.57 2.03 -1.26 -5.04 116.55 109.32 2dl6 n ASP 27 Ca -0.14 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2dl6 n ASP 27 Cb 0.44 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dl6 n GLY 28 N 1.93 1.12 3.79 0.27 0.00 -1.22 -5.05 105.19 106.03 2dl6 n GLY 28 Ca -0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 5.23 -0.26 2.61 2.01 -1.26 -4.74 115.64 117.23 2dl6 s THR 29 Ca 0.00 0.63 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 2dl6 s THR 29 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2dl6 s THR 29 CO 0.00 0.49 0.27 -0.22 -0.69 0.00 0.00 174.62 174.47 2dl6 s LEU 30 N -0.29 4.06 -0.06 4.42 2.96 -1.26 -0.64 118.68 127.87 2dl6 s LEU 30 Ca 0.20 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 54.08 2dl6 s LEU 30 Cb -0.14 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 2dl6 s LEU 30 CO 0.08 -0.08 0.55 -0.76 -1.32 0.00 0.00 176.35 174.82 2dl6 s LEU 31 N 1.71 4.35 0.04 -0.68 1.43 0.41 -4.94 118.68 121.00 2dl6 s LEU 31 Ca 0.11 1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2dl6 s LEU 31 Cb -0.15 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2dl6 s LEU 31 CO 0.09 0.04 0.17 0.68 0.23 0.00 0.00 176.35 177.56 2dl6 s VAL 32 N 0.23 0.11 0.00 -1.59 -7.23 -1.26 -2.99 120.40 107.67 2dl6 s VAL 32 Ca 0.30 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2dl6 s VAL 32 Cb -0.17 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2dl6 s VAL 32 CO 0.14 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 2dl6 n GLY 33 N 0.72 3.52 0.10 2.32 0.00 -1.26 -2.97 105.19 107.62 2dl6 n GLY 33 Ca -0.19 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2dl6 n GLY 33 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dl6 h GLU 34 N 0.00 -0.12 -0.78 1.61 5.08 -1.98 -3.29 114.58 115.11 2dl6 h GLU 34 Ca 0.00 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.68 2dl6 h GLU 34 Cb 0.00 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.14 2dl6 h GLU 34 CO 0.00 0.37 0.35 -0.25 -1.00 0.00 0.00 179.01 178.48 2dl6 n ASP 35 N -4.83 0.21 -4.78 1.42 8.00 -1.16 -4.24 116.55 111.18 2dl6 n ASP 35 Ca -0.07 1.30 -0.37 0.00 0.71 0.00 0.00 54.79 56.35 2dl6 n ASP 35 Cb 0.27 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 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 -5.27 3.20 1.00 2.24 0.00 -1.24 -4.84 121.76 116.85 2dl6 s ALA 36 Ca -0.08 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2dl6 s ALA 36 Cb 0.26 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2dl6 s ALA 36 CO 0.61 0.06 0.00 -0.35 0.00 0.00 0.00 175.76 176.08 2dl6 n PRO 37 N 0.48 -0.70 -4.29 0.00 -0.04 -1.26 -4.72 135.00 124.48 2dl6 n PRO 37 Ca 0.02 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.20 2dl6 n PRO 37 Cb 0.49 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 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 -2.51 1.97 0.40 0.54 0.52 -1.26 -2.52 118.95 116.08 2dl6 s ARG 38 Ca 0.00 -1.22 0.10 0.00 -0.52 0.00 0.00 55.73 54.08 2dl6 s ARG 38 Cb 0.00 -2.15 0.88 0.00 0.52 0.00 0.00 34.95 34.20 2dl6 s ARG 38 CO 0.00 0.46 1.97 -0.09 0.02 0.00 0.00 175.30 177.66 2dl6 h ARG 39 N 3.25 0.57 0.31 3.54 9.65 -1.50 0.14 114.38 130.33 2dl6 h ARG 39 Ca -0.48 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.35 2dl6 h ARG 39 Cb 1.19 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2dl6 h ARG 39 CO 0.51 0.37 -0.15 0.00 2.80 0.00 0.00 179.97 183.51 2dl6 h ALA 40 N 1.66 -0.41 -0.16 2.80 0.00 -1.87 -2.91 119.26 118.37 2dl6 h ALA 40 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dl6 h ALA 40 Cb 0.37 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dl6 h ALA 40 CO -0.09 -0.58 0.00 -0.85 0.00 0.00 0.00 179.25 177.73 2dl6 n GLU 41 N -5.14 1.82 -0.18 0.00 0.28 -0.99 -4.03 120.64 112.39 2dl6 n GLU 41 Ca -0.10 -0.76 -0.10 0.00 -0.16 0.00 0.00 57.16 56.04 2dl6 n GLU 41 Cb 0.26 -1.54 0.01 0.00 1.43 0.00 0.00 31.44 31.60 2dl6 n GLU 41 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2dl6 h LEU 42 N 1.03 1.03 -0.53 -1.84 5.85 -0.52 0.14 115.31 120.46 2dl6 h LEU 42 Ca 0.00 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2dl6 h LEU 42 Cb 0.69 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2dl6 h LEU 42 CO 0.09 1.14 0.13 1.05 -0.34 0.00 0.00 178.44 180.51 2dl6 h GLU 43 N 0.90 0.85 0.00 1.25 4.11 -1.77 0.36 114.58 120.27 2dl6 h GLU 43 Ca 0.14 -0.20 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 2dl6 h GLU 43 Cb 0.68 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2dl6 h GLU 43 CO 0.05 0.80 -0.49 0.00 0.07 0.00 0.00 179.01 179.44 2dl6 h MET 44 N 0.75 0.00 0.21 1.06 -0.00 -1.81 -3.15 114.93 111.98 2dl6 h MET 44 Ca 0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.55 2dl6 h MET 44 Cb 0.33 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.95 2dl6 h MET 44 CO 0.00 0.49 -1.44 2.35 -0.00 0.00 0.00 176.91 178.32 2dl6 h TRP 45 N 0.00 0.79 0.00 -0.10 7.01 -0.41 -3.21 115.95 120.04 2dl6 h TRP 45 Ca -0.00 -0.58 0.00 0.00 2.11 0.00 0.00 58.89 60.41 2dl6 h TRP 45 Cb 1.18 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 2dl6 h TRP 45 CO 0.00 1.48 0.00 1.28 -2.79 0.00 0.00 178.44 178.41 2dl6 n LEU 46 N -3.64 0.00 -0.05 0.65 4.77 0.12 -0.48 117.00 118.38 2dl6 n LEU 46 Ca -0.15 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 2dl6 n LEU 46 Cb 1.08 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.04 2dl6 n LEU 46 CO 0.58 0.00 -0.08 1.56 -1.33 0.00 0.00 177.39 178.11 2dl6 h GLN 47 N 0.00 0.09 0.00 3.23 4.20 -1.54 -3.30 115.11 117.78 2dl6 h GLN 47 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2dl6 h GLN 47 Cb 0.00 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2dl6 h GLN 47 CO 0.00 1.07 -0.64 0.41 -0.67 0.00 0.00 178.83 179.00 2dl6 n GLY 48 N 1.59 -0.03 1.15 3.46 0.00 -1.20 -4.54 105.19 105.63 2dl6 n GLY 48 Ca -0.20 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.34 1.06 0.98 1.61 8.25 0.37 -4.74 115.22 121.41 2dl6 n HIS 49 Ca 0.01 -1.77 0.07 0.00 -0.26 0.00 0.00 57.72 55.77 2dl6 n HIS 49 Cb 0.17 -0.36 0.41 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.00 0.49 0.00 -0.41 -0.04 -1.24 -3.03 135.00 129.76 2dl6 n PRO 50 Ca 0.30 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.82 2dl6 n PRO 50 Cb 0.83 -1.44 0.25 0.00 -0.04 0.00 0.00 33.50 33.10 2dl6 n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dl6 n GLU 51 N -0.94 0.03 -3.15 0.54 -0.58 -1.26 -4.72 120.64 110.55 2dl6 n GLU 51 Ca 0.10 0.28 -0.20 0.00 -0.42 0.00 0.00 57.16 56.92 2dl6 n GLU 51 Cb 0.05 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.46 2dl6 n GLU 51 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2dl6 s PHE 52 N -2.91 1.56 -0.16 -0.32 0.40 -1.17 -3.42 117.98 111.95 2dl6 s PHE 52 Ca 0.07 -0.71 -0.08 0.00 -0.60 0.00 0.00 56.93 55.61 2dl6 s PHE 52 Cb 0.08 -2.18 0.06 0.00 0.51 0.00 0.00 43.02 41.49 2dl6 s PHE 52 CO 0.20 -1.00 0.37 0.00 0.70 0.00 0.00 175.22 175.50 2dl6 s ALA 53 N -2.65 -0.95 0.16 5.36 0.00 -1.16 -4.93 121.76 117.58 2dl6 s ALA 53 Ca 0.57 1.39 -0.34 0.00 0.00 0.00 0.00 51.96 53.59 2dl6 s ALA 53 Cb -0.06 -0.99 -0.15 0.00 0.00 0.00 0.00 23.12 21.93 2dl6 s ALA 53 CO 0.36 -0.41 1.41 0.28 0.00 0.00 0.00 175.76 177.41 2dl6 n VAL 54 N 4.63 0.35 -1.86 0.00 0.31 -1.26 -0.02 118.33 120.49 2dl6 n VAL 54 Ca -0.19 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 2dl6 n VAL 54 Cb 0.53 -1.23 -0.02 0.00 -0.91 0.00 0.00 33.84 32.21 2dl6 n VAL 54 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dl6 s ASP 55 N 0.51 6.49 0.01 4.52 2.15 -0.90 -4.78 116.67 124.68 2dl6 s ASP 55 Ca 0.77 2.78 -0.23 0.00 0.43 0.00 0.00 52.55 56.30 2dl6 s ASP 55 Cb -0.77 -2.61 -0.17 0.00 -0.30 0.00 0.00 42.92 39.07 2dl6 s ASP 55 CO 0.45 -0.86 1.31 1.55 -0.17 0.00 0.00 175.17 177.45 2dl6 h PRO 56 N 5.95 0.19 -1.00 4.34 0.13 -1.93 -3.18 132.00 136.49 2dl6 h PRO 56 Ca -0.44 -0.10 0.26 0.00 -0.87 0.00 0.00 66.00 64.85 2dl6 h PRO 56 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2dl6 h PRO 56 CO 0.87 0.62 0.59 0.00 -0.23 0.00 0.00 178.00 179.84 2dl6 h ARG 57 N -0.24 0.50 0.58 0.86 2.47 -2.01 -1.02 114.38 115.53 2dl6 h ARG 57 Ca 0.01 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 2dl6 h ARG 57 Cb 0.58 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2dl6 h ARG 57 CO 0.02 0.33 -0.28 0.35 0.56 0.00 0.00 179.97 180.95 2dl6 h PHE 58 N 0.52 -0.72 -1.00 3.04 3.04 -1.95 -2.83 116.94 117.03 2dl6 h PHE 58 Ca 0.67 -0.02 0.38 0.00 3.98 0.00 0.00 57.97 62.98 2dl6 h PHE 58 Cb 1.33 0.24 -0.18 0.00 2.56 0.00 0.00 35.95 39.90 2dl6 h PHE 58 CO -0.01 -0.42 0.41 1.28 -2.02 0.00 0.00 178.31 177.55 2dl6 n LEU 59 N -5.40 0.24 -0.17 0.59 4.77 -0.40 0.13 117.00 116.76 2dl6 n LEU 59 Ca -0.12 1.66 -0.06 0.00 -0.03 0.00 0.00 56.01 57.46 2dl6 n LEU 59 Cb 0.33 -0.76 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2dl6 n LEU 59 CO 0.36 -1.82 1.07 0.00 -1.33 0.00 0.00 177.39 175.67 2dl6 h ALA 60 N 1.99 0.65 -0.59 -1.18 0.00 -1.33 -3.11 119.26 115.69 2dl6 h ALA 60 Ca 0.79 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.73 2dl6 h ALA 60 Cb 2.00 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2dl6 h ALA 60 CO -0.81 0.03 -0.35 0.98 0.00 0.00 0.00 179.25 179.10 2dl6 n TYR 61 N -4.78 -0.26 -0.14 0.00 9.36 0.35 0.42 117.16 122.10 2dl6 n TYR 61 Ca 0.03 0.74 -0.07 0.00 3.32 0.00 0.00 57.90 61.92 2dl6 n TYR 61 Cb 0.06 -0.52 -0.01 0.00 -0.63 0.00 0.00 39.34 38.23 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 -0.23 -0.90 2.98 2.86 -1.62 -1.29 114.93 116.73 2dl6 h MET 62 Ca 0.10 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.89 2dl6 h MET 62 Cb 0.24 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 31.81 2dl6 h MET 62 CO -0.56 -0.15 -0.35 -1.91 1.06 0.00 0.00 176.91 175.00 2dl6 n GLU 63 N -5.42 -0.21 -0.11 1.72 2.13 0.17 0.65 120.64 119.57 2dl6 n GLU 63 Ca 0.02 1.39 -0.08 0.00 0.66 0.00 0.00 57.16 59.15 2dl6 n GLU 63 Cb 0.34 -2.06 -0.00 0.00 0.27 0.00 0.00 31.44 29.99 2dl6 n GLU 63 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2dl6 h ASP 64 N 0.00 0.37 -0.55 4.31 3.58 -0.94 -3.12 116.42 120.07 2dl6 h ASP 64 Ca 0.32 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.81 2dl6 h ASP 64 Cb 0.54 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 2dl6 h ASP 64 CO -0.90 0.27 -0.32 -1.14 -2.88 0.00 0.00 179.24 174.27 2dl6 n ARG 65 N -4.87 -0.24 -0.38 0.28 3.00 0.21 -0.27 116.66 114.38 2dl6 n ARG 65 Ca 0.00 1.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.75 2dl6 n ARG 65 Cb 0.04 -1.48 -0.09 0.00 0.00 0.00 0.00 32.46 30.94 2dl6 n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dl6 h ARG 66 N 0.00 -0.01 -0.85 -0.14 3.08 -1.46 0.79 114.38 115.79 2dl6 h ARG 66 Ca 0.09 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.26 2dl6 h ARG 66 Cb 0.23 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.14 2dl6 h ARG 66 CO -0.52 -0.00 -0.35 1.63 -1.07 0.00 0.00 179.97 179.66 2dl6 n LYS 67 N -5.08 -0.22 -0.78 0.04 4.76 0.63 -4.47 118.16 113.03 2dl6 n LYS 67 Ca 0.02 1.31 -0.33 0.00 -2.87 0.00 0.00 58.31 56.44 2dl6 n LYS 67 Cb 0.24 -1.94 0.13 0.00 -1.84 0.00 0.00 35.03 31.62 2dl6 n LYS 67 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dl6 n GLN 68 N -5.23 -0.46 -3.86 1.97 3.00 0.27 -5.03 117.38 108.04 2dl6 n GLN 68 Ca 0.08 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 2dl6 n GLN 68 Cb 0.33 -1.83 -0.05 0.00 0.00 0.00 0.00 30.24 28.69 2dl6 n GLN 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2dl6 s LYS 69 N -3.60 1.30 0.30 -1.09 -0.14 -1.26 -5.02 119.74 110.23 2dl6 s LYS 69 Ca 0.57 -1.03 0.06 0.00 -1.36 0.00 0.00 55.97 54.21 2dl6 s LYS 69 Cb -0.20 0.45 -0.02 0.00 -1.68 0.00 0.00 37.83 36.39 2dl6 s LYS 69 CO 0.67 -0.52 0.39 1.67 -0.76 0.00 0.00 175.35 176.81 2dl6 s TRP 70 N -3.93 3.20 0.22 3.18 1.48 -1.26 -5.13 118.94 116.71 2dl6 s TRP 70 Ca 0.14 -0.16 -0.21 0.00 -1.06 0.00 0.00 56.10 54.81 2dl6 s TRP 70 Cb 0.01 -1.79 0.04 0.00 -1.16 0.00 0.00 33.47 30.56 2dl6 s TRP 70 CO -0.01 0.19 0.65 1.14 -4.06 0.00 0.00 176.95 174.87 2dl6 s GLN 71 N -4.07 1.54 -1.35 3.25 -2.07 -1.26 -4.97 119.66 110.74 2dl6 s GLN 71 Ca 0.40 -0.78 -0.03 0.00 -1.82 0.00 0.00 55.36 53.13 2dl6 s GLN 71 Cb -0.09 0.59 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 2dl6 s GLN 71 CO 0.29 -0.69 0.79 -2.13 -1.32 0.00 0.00 175.29 172.23 2dl6 n ARG 72 N -0.41 -5.23 -4.37 9.60 0.00 -1.26 -4.99 116.66 110.00 2dl6 n ARG 72 Ca -0.10 0.63 -0.27 0.00 -0.00 0.00 0.00 57.85 58.11 2dl6 n ARG 72 Cb 0.62 -5.30 -0.11 0.00 0.00 0.00 0.00 32.46 27.67 2dl6 n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dl6 s LYS 74 N -2.63 2.26 0.19 0.00 0.00 -1.26 -5.13 119.74 113.17 2dl6 s LYS 74 Ca 0.21 -0.96 -0.04 0.00 0.00 0.00 0.00 55.97 55.18 2dl6 s LYS 74 Cb -0.09 -2.38 -0.05 0.00 0.00 0.00 0.00 37.83 35.31 2dl6 s LYS 74 CO 0.11 0.52 0.42 0.15 0.00 0.00 0.00 175.35 176.55 2dl6 s LYS 75 N -2.25 3.61 -0.11 1.78 1.02 -1.26 -5.03 119.74 117.50 2dl6 s LYS 75 Ca 0.23 -0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.87 2dl6 s LYS 75 Cb -0.11 -2.80 -0.20 0.00 -0.52 0.00 0.00 37.83 34.20 2dl6 s LYS 75 CO 0.15 0.40 0.75 -2.95 -0.92 0.00 0.00 175.35 172.78 2dl6 h ASN 76 N 2.41 -0.03 -2.08 2.83 7.08 -2.07 -3.43 115.58 120.30 2dl6 h ASN 76 Ca -0.47 -0.71 -0.54 0.00 -3.08 0.00 0.00 56.30 51.50 2dl6 h ASN 76 Cb 1.18 0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 37.41 2dl6 h ASN 76 CO 0.70 0.78 1.45 0.54 -2.08 0.00 0.00 177.43 178.82 2dl6 s ASN 77 N -5.96 5.29 0.23 6.14 4.22 -1.26 -4.94 114.94 118.66 2dl6 s ASN 77 Ca -0.15 1.31 0.03 0.00 -2.14 0.00 0.00 52.86 51.91 2dl6 s ASN 77 Cb -0.02 -2.51 -0.05 0.00 1.28 0.00 0.00 41.25 39.95 2dl6 s ASN 77 CO 0.57 -2.19 0.01 -0.94 -2.04 0.00 0.00 177.10 172.51 2dl6 s SER 78 N 8.67 1.74 0.39 3.54 1.04 -1.26 -5.12 113.70 122.69 2dl6 s SER 78 Ca 0.90 -1.24 -0.24 0.00 0.48 0.00 0.00 55.95 55.85 2dl6 s SER 78 Cb -0.23 0.03 -0.13 0.00 0.10 0.00 0.00 66.02 65.79 2dl6 s SER 78 CO 0.30 -0.54 0.70 0.61 0.98 0.00 0.00 173.24 175.29 2dl6 n GLY 79 N -0.42 -1.10 0.24 7.32 0.00 -1.26 -4.89 105.19 105.08 2dl6 n GLY 79 Ca -0.05 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2dl6 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl6 h PRO 80 N 1.11 0.69 -4.63 1.61 0.13 -2.02 -3.47 132.00 125.43 2dl6 h PRO 80 Ca -0.40 -0.37 -0.28 0.00 -0.87 0.00 0.00 66.00 64.08 2dl6 h PRO 80 Cb 1.38 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.63 2dl6 h PRO 80 CO 0.54 0.98 -0.52 0.43 -0.23 0.00 0.00 178.00 179.20 2dl6 n SER 81 N -4.03 -4.47 -4.86 1.44 7.64 -1.26 -5.00 113.62 103.08 2dl6 n SER 81 Ca -0.02 -0.42 -0.31 0.00 1.01 0.00 0.00 58.87 59.13 2dl6 n SER 81 Cb 0.54 -3.89 -0.04 0.00 -1.01 0.00 0.00 64.21 59.81 2dl6 n SER 81 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dl6 s SER 82 N -3.43 6.63 0.00 6.43 0.15 -1.26 -5.34 113.70 116.88 2dl6 s SER 82 Ca 0.33 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2dl6 s SER 82 Cb -0.15 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dl6 s SER 82 CO 0.54 -0.41 0.13 0.61 1.20 0.00 0.00 173.24 175.32