#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl6 n SER 2 N 0.00 1.99 -0.07 1.61 3.41 -1.26 -4.61 113.62 114.68 2dl6 n SER 2 Ca 0.00 0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.67 2dl6 n SER 2 Cb 0.00 -0.82 -0.13 0.00 -0.26 0.00 0.00 64.21 63.00 2dl6 n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dl6 h SER 3 N -0.48 0.07 -4.92 4.04 4.64 -2.07 -3.49 113.55 111.34 2dl6 h SER 3 Ca -0.47 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.10 2dl6 h SER 3 Cb 1.70 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2dl6 h SER 3 CO -0.13 1.34 -0.71 0.61 -0.87 0.00 0.00 176.83 177.07 2dl6 n GLY 4 N 1.55 0.00 3.66 -0.77 0.00 -1.26 -4.94 105.19 103.43 2dl6 n GLY 4 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2dl6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl6 s SER 5 N -0.71 4.97 0.30 1.61 0.15 -1.26 -4.98 113.70 113.78 2dl6 s SER 5 Ca 0.00 -0.09 -0.18 0.00 0.70 0.00 0.00 55.95 56.38 2dl6 s SER 5 Cb 0.00 -1.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.10 2dl6 s SER 5 CO 0.00 0.25 0.68 -0.94 1.20 0.00 0.00 173.24 174.44 2dl6 s SER 6 N -1.73 -0.14 0.00 5.45 1.04 -1.26 -5.13 113.70 111.93 2dl6 s SER 6 Ca 0.21 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2dl6 s SER 6 Cb -0.11 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dl6 s SER 6 CO 0.12 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.57 2dl6 n GLY 7 N -0.46 3.37 2.93 7.32 0.00 -1.26 -5.16 105.19 111.92 2dl6 n GLY 7 Ca -0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 2dl6 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dl6 s GLU 8 N -1.64 0.10 0.00 1.61 8.01 -1.26 -5.01 118.70 120.51 2dl6 s GLU 8 Ca 0.00 0.44 0.07 0.00 0.01 0.00 0.00 54.97 55.48 2dl6 s GLU 8 Cb 0.00 -0.18 0.40 0.00 -4.31 0.00 0.00 34.13 30.04 2dl6 s GLU 8 CO 0.00 -0.19 0.85 -0.35 0.01 0.00 0.00 175.26 175.58 2dl6 n PRO 9 N 4.43 0.49 -1.69 0.39 -0.04 -1.26 -4.84 135.00 132.47 2dl6 n PRO 9 Ca -0.22 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 2dl6 n PRO 9 Cb 0.51 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2dl6 n PRO 9 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dl6 n ASN 10 N -0.71 2.83 -4.03 3.54 2.85 -1.26 -5.00 115.26 113.47 2dl6 n ASN 10 Ca 0.05 1.19 -0.24 0.00 -0.11 0.00 0.00 54.58 55.47 2dl6 n ASN 10 Cb 0.02 -1.48 -0.16 0.00 1.24 0.00 0.00 39.78 39.41 2dl6 n ASN 10 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2dl6 s HIS 11 N -0.74 1.35 0.42 1.20 3.76 -1.26 -5.15 115.29 114.88 2dl6 s HIS 11 Ca 0.59 -0.44 0.08 0.00 -0.15 0.00 0.00 55.06 55.14 2dl6 s HIS 11 Cb -0.59 -0.97 -0.00 0.00 1.11 0.00 0.00 32.58 32.13 2dl6 s HIS 11 CO 0.58 -0.21 0.49 -0.51 -0.85 0.00 0.00 174.74 174.25 2dl6 s LEU 12 N 0.44 3.55 -0.12 0.89 1.43 -1.26 -5.03 118.68 118.58 2dl6 s LEU 12 Ca -0.10 -0.55 0.15 0.00 -1.03 0.00 0.00 54.13 52.60 2dl6 s LEU 12 Cb -0.13 -2.42 0.50 0.00 0.03 0.00 0.00 46.19 44.17 2dl6 s LEU 12 CO 0.02 -0.72 1.42 -0.67 0.23 0.00 0.00 176.35 176.63 2dl6 n ASP 13 N -1.73 3.82 -4.09 2.29 2.03 -1.26 -5.02 116.55 112.60 2dl6 n ASP 13 Ca 0.06 -2.65 -0.29 0.00 0.52 0.00 0.00 54.79 52.43 2dl6 n ASP 13 Cb 0.60 -0.47 0.24 0.00 -0.72 0.00 0.00 41.12 40.77 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 -2.18 1.70 0.11 5.18 -7.23 -1.26 -5.05 120.40 111.67 2dl6 s VAL 14 Ca 0.38 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.60 2dl6 s VAL 14 Cb 0.28 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2dl6 s VAL 14 CO 0.13 0.00 0.04 -1.81 -0.31 0.00 0.00 175.10 173.15 2dl6 s ASP 15 N -3.36 5.20 0.36 4.85 1.11 -1.26 -4.99 116.67 118.59 2dl6 s ASP 15 Ca 0.69 -0.15 0.19 0.00 0.18 0.00 0.00 52.55 53.45 2dl6 s ASP 15 Cb -0.16 -1.29 1.23 0.00 1.07 0.00 0.00 42.92 43.77 2dl6 s ASP 15 CO 0.59 0.15 1.63 -0.07 1.18 0.00 0.00 175.17 178.64 2dl6 h LEU 16 N 3.14 0.41 -0.22 1.23 3.38 -1.96 0.56 115.31 121.85 2dl6 h LEU 16 Ca -0.47 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2dl6 h LEU 16 Cb 1.17 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2dl6 h LEU 16 CO 0.62 -0.26 -0.16 -0.33 0.09 0.00 0.00 178.44 178.40 2dl6 h GLU 17 N 0.17 0.49 -6.18 1.13 5.08 -1.97 -3.23 114.58 110.06 2dl6 h GLU 17 Ca 0.79 -0.24 -0.66 0.00 -1.00 0.00 0.00 59.36 58.25 2dl6 h GLU 17 Cb 1.99 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 2dl6 h GLU 17 CO -0.65 0.80 1.11 2.41 -1.00 0.00 0.00 179.01 181.68 2dl6 n THR 18 N -4.48 0.44 -1.52 1.13 -1.04 0.20 -4.80 114.28 104.21 2dl6 n THR 18 Ca -0.05 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.52 2dl6 n THR 18 Cb 0.37 -1.68 0.06 0.00 -1.82 0.00 0.00 70.33 67.26 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 4.37 2.75 -0.23 -2.82 1.81 -1.26 -3.41 118.95 120.16 2dl6 s ARG 19 Ca 0.97 1.06 0.01 0.00 -1.72 0.00 0.00 55.73 56.06 2dl6 s ARG 19 Cb -0.82 -1.96 0.06 0.00 -0.45 0.00 0.00 34.95 31.78 2dl6 s ARG 19 CO 0.55 -1.25 -0.08 0.42 -0.68 0.00 0.00 175.30 174.26 2dl6 s ILE 20 N -2.92 1.67 0.33 1.52 -1.09 -1.19 -4.88 121.20 114.64 2dl6 s ILE 20 Ca 0.60 -1.24 -0.28 0.00 -2.23 0.00 0.00 60.65 57.50 2dl6 s ILE 20 Cb -0.15 -1.86 -0.10 0.00 -1.58 0.00 0.00 42.46 38.77 2dl6 s ILE 20 CO 0.53 -0.02 1.22 -2.16 -1.23 0.00 0.00 174.94 173.29 2dl6 s PRO 21 N 1.34 4.37 -0.03 2.79 0.04 -1.26 -4.50 135.00 137.75 2dl6 s PRO 21 Ca -0.05 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2dl6 s PRO 21 Cb -0.18 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2dl6 s PRO 21 CO -0.06 -0.10 0.09 0.14 0.04 0.00 0.00 177.00 177.10 2dl6 s VAL 22 N -1.20 0.00 -0.36 -0.36 -7.23 -1.18 -2.78 120.40 107.29 2dl6 s VAL 22 Ca 0.49 -0.03 -0.09 0.00 -1.81 0.00 0.00 61.98 60.55 2dl6 s VAL 22 Cb -0.36 -0.14 0.04 0.00 0.56 0.00 0.00 36.38 36.48 2dl6 s VAL 22 CO 0.47 -0.02 0.17 -0.51 -0.31 0.00 0.00 175.10 174.90 2dl6 s ILE 23 N -0.01 4.20 0.81 -0.62 2.07 0.11 -0.84 121.20 126.92 2dl6 s ILE 23 Ca -0.01 -1.03 -0.15 0.00 -1.41 0.00 0.00 60.65 58.05 2dl6 s ILE 23 Cb -0.01 -3.39 -0.01 0.00 0.13 0.00 0.00 42.46 39.19 2dl6 s ILE 23 CO 0.00 -0.24 0.52 -3.20 -1.91 0.00 0.00 174.94 170.11 2dl6 n ASN 24 N 4.91 -1.38 -0.08 4.50 4.05 0.08 -3.35 115.26 123.99 2dl6 n ASN 24 Ca -0.12 0.50 -0.10 0.00 0.45 0.00 0.00 54.58 55.32 2dl6 n ASN 24 Cb 0.45 -1.23 -0.10 0.00 1.23 0.00 0.00 39.78 40.13 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 -1.18 1.11 0.48 1.20 5.02 -1.20 -3.35 118.16 120.24 2dl6 n LYS 25 Ca 0.09 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.24 2dl6 n LYS 25 Cb 0.51 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.02 -0.18 2.07 -1.93 -3.38 116.25 112.85 2dl6 h VAL 26 Ca -0.40 -0.08 -0.39 0.00 0.82 0.00 0.00 66.70 66.65 2dl6 h VAL 26 Cb 1.78 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 2dl6 h VAL 26 CO -0.02 0.00 -2.34 0.47 0.02 0.00 0.00 177.57 175.70 2dl6 n ASP 27 N -5.52 2.00 0.00 0.57 8.00 -1.26 -4.73 116.55 115.60 2dl6 n ASP 27 Ca -0.15 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2dl6 n ASP 27 Cb 0.49 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dl6 n GLY 28 N 1.98 1.50 3.75 0.44 0.00 -1.21 -5.06 105.19 106.59 2dl6 n GLY 28 Ca -0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 5.25 -0.20 2.61 2.01 -1.26 -4.72 115.64 117.33 2dl6 s THR 29 Ca 0.00 0.65 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 2dl6 s THR 29 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2dl6 s THR 29 CO 0.00 0.42 0.34 -0.22 -0.69 0.00 0.00 174.62 174.47 2dl6 s LEU 30 N 0.18 4.16 -0.17 4.42 2.96 -1.26 -0.74 118.68 128.22 2dl6 s LEU 30 Ca 0.19 0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 54.38 2dl6 s LEU 30 Cb -0.14 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2dl6 s LEU 30 CO 0.06 -0.03 0.38 -0.76 -1.32 0.00 0.00 176.35 174.68 2dl6 s LEU 31 N 1.17 4.21 0.19 -0.68 1.43 -0.02 -4.96 118.68 120.01 2dl6 s LEU 31 Ca 0.16 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2dl6 s LEU 31 Cb -0.14 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 2dl6 s LEU 31 CO 0.07 -0.00 0.03 0.68 0.23 0.00 0.00 176.35 177.35 2dl6 s VAL 32 N 0.90 0.61 0.00 -1.59 -7.23 -1.26 -3.09 120.40 108.74 2dl6 s VAL 32 Ca 0.19 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2dl6 s VAL 32 Cb -0.14 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2dl6 s VAL 32 CO 0.07 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2dl6 n GLY 33 N -0.28 2.16 0.34 2.32 0.00 -1.26 -2.38 105.19 106.09 2dl6 n GLY 33 Ca -0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.49 -0.73 1.61 3.07 -1.98 -1.84 114.58 114.22 2dl6 h GLU 34 Ca 0.00 0.03 0.27 0.00 -0.50 0.00 0.00 59.36 59.17 2dl6 h GLU 34 Cb 0.00 0.11 -0.13 0.00 -0.84 0.00 0.00 28.75 27.89 2dl6 h GLU 34 CO 0.00 -0.33 0.27 -0.25 -1.40 0.00 0.00 179.01 177.30 2dl6 n ASP 35 N -5.42 0.15 -4.80 1.42 9.92 -1.00 -4.23 116.55 112.59 2dl6 n ASP 35 Ca -0.06 1.22 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 2dl6 n ASP 35 Cb 0.33 -0.54 -0.07 0.00 -0.64 0.00 0.00 41.12 40.20 2dl6 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dl6 s ALA 36 N -5.28 3.16 1.15 2.24 0.00 -0.69 -4.83 121.76 117.51 2dl6 s ALA 36 Ca -0.07 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2dl6 s ALA 36 Cb 0.24 -3.15 0.18 0.00 0.00 0.00 0.00 23.12 20.38 2dl6 s ALA 36 CO 0.57 0.17 0.64 -0.35 0.00 0.00 0.00 175.76 176.78 2dl6 n PRO 37 N 0.16 -2.26 -4.33 0.00 -0.04 -1.26 -4.82 135.00 122.45 2dl6 n PRO 37 Ca 0.03 -1.02 -0.31 0.00 -0.04 0.00 0.00 63.50 62.16 2dl6 n PRO 37 Cb 0.51 -0.96 -0.10 0.00 -0.04 0.00 0.00 33.50 32.92 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 -4.45 2.53 0.45 0.54 0.52 -1.26 -3.18 118.95 114.11 2dl6 s ARG 38 Ca 0.41 -0.77 0.23 0.00 -0.52 0.00 0.00 55.73 55.09 2dl6 s ARG 38 Cb -0.04 -2.51 1.24 0.00 0.52 0.00 0.00 34.95 34.16 2dl6 s ARG 38 CO 0.32 0.58 1.83 -0.09 0.02 0.00 0.00 175.30 177.96 2dl6 h ARG 39 N 4.13 0.25 0.63 3.54 9.65 -1.57 0.59 114.38 131.60 2dl6 h ARG 39 Ca -0.48 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.35 2dl6 h ARG 39 Cb 1.17 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2dl6 h ARG 39 CO 0.55 0.17 -0.30 0.00 2.80 0.00 0.00 179.97 183.19 2dl6 h ALA 40 N 1.58 -0.92 -0.10 2.80 0.00 -1.86 -3.08 119.26 117.68 2dl6 h ALA 40 Ca 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2dl6 h ALA 40 Cb 1.53 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2dl6 h ALA 40 CO -0.16 -0.85 0.00 -0.85 0.00 0.00 0.00 179.25 177.39 2dl6 n GLU 41 N -5.05 1.46 -0.05 0.00 0.28 -0.79 -3.85 120.64 112.64 2dl6 n GLU 41 Ca -0.10 -0.45 -0.16 0.00 -0.16 0.00 0.00 57.16 56.28 2dl6 n GLU 41 Cb 0.33 -1.39 -0.06 0.00 1.43 0.00 0.00 31.44 31.76 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 0.64 0.96 -0.96 -1.84 5.85 0.25 0.25 115.31 120.46 2dl6 h LEU 42 Ca 0.00 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.17 2dl6 h LEU 42 Cb 0.48 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2dl6 h LEU 42 CO 0.04 1.38 0.63 1.05 -0.34 0.00 0.00 178.44 181.20 2dl6 h GLU 43 N 0.60 1.22 0.00 1.25 4.11 -1.74 0.15 114.58 120.16 2dl6 h GLU 43 Ca -0.02 -0.07 -0.20 0.00 0.07 0.00 0.00 59.36 59.13 2dl6 h GLU 43 Cb 1.30 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2dl6 h GLU 43 CO 0.14 0.80 -1.07 0.52 0.07 0.00 0.00 179.01 179.48 2dl6 h MET 44 N 1.25 0.00 -0.20 1.06 2.86 -1.82 -3.28 114.93 114.81 2dl6 h MET 44 Ca 0.37 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.85 2dl6 h MET 44 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2dl6 h MET 44 CO -0.10 0.75 -0.53 2.35 1.06 0.00 0.00 176.91 180.43 2dl6 h TRP 45 N 0.00 0.73 0.00 -0.22 7.01 -0.37 -2.80 115.95 120.30 2dl6 h TRP 45 Ca -0.07 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.68 2dl6 h TRP 45 Cb 1.72 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.64 2dl6 h TRP 45 CO 0.00 0.99 0.00 -0.07 -2.79 0.00 0.00 178.44 176.57 2dl6 h LEU 46 N 0.45 0.00 -0.38 0.65 3.38 -0.82 0.26 115.31 118.85 2dl6 h LEU 46 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2dl6 h LEU 46 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2dl6 h LEU 46 CO 0.10 0.00 0.06 1.56 0.09 0.00 0.00 178.44 180.25 2dl6 h GLN 47 N 0.00 0.64 -0.00 1.13 4.20 -1.55 -2.36 115.11 117.17 2dl6 h GLN 47 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2dl6 h GLN 47 Cb 0.45 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2dl6 h GLN 47 CO 0.00 0.69 -0.42 0.41 -0.67 0.00 0.00 178.83 178.84 2dl6 n GLY 48 N -0.49 0.14 1.18 3.46 0.00 -1.17 -4.55 105.19 103.76 2dl6 n GLY 48 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.19 1.11 0.96 1.61 8.25 0.91 -4.74 115.22 122.14 2dl6 n HIS 49 Ca 0.02 -1.78 0.08 0.00 -0.26 0.00 0.00 57.72 55.77 2dl6 n HIS 49 Cb 0.14 -0.36 0.46 0.00 1.12 0.00 0.00 29.99 31.35 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 0.48 0.00 -0.41 -0.04 -0.89 -2.90 135.00 130.24 2dl6 n PRO 50 Ca 0.30 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 2dl6 n PRO 50 Cb 0.84 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.01 0.23 -3.33 0.54 4.71 -1.26 -4.75 120.64 115.77 2dl6 n GLU 51 Ca 0.12 0.13 -0.22 0.00 -0.01 0.00 0.00 57.16 57.18 2dl6 n GLU 51 Cb 0.06 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.02 2dl6 n GLU 51 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2dl6 s PHE 52 N -2.58 1.61 -0.21 -0.32 0.40 -1.14 -3.26 117.98 112.48 2dl6 s PHE 52 Ca 0.16 -0.73 -0.10 0.00 -0.60 0.00 0.00 56.93 55.65 2dl6 s PHE 52 Cb 0.11 -2.12 0.07 0.00 0.51 0.00 0.00 43.02 41.59 2dl6 s PHE 52 CO 0.25 -0.85 0.50 0.00 0.70 0.00 0.00 175.22 175.82 2dl6 s ALA 53 N -2.67 -1.34 0.12 5.36 0.00 -1.21 -4.91 121.76 117.10 2dl6 s ALA 53 Ca 0.52 1.80 -0.34 0.00 0.00 0.00 0.00 51.96 53.94 2dl6 s ALA 53 Cb -0.05 -1.18 -0.13 0.00 0.00 0.00 0.00 23.12 21.76 2dl6 s ALA 53 CO 0.32 -0.43 1.66 0.28 0.00 0.00 0.00 175.76 177.60 2dl6 n VAL 54 N 4.57 0.14 -1.64 0.00 0.31 -1.26 0.06 118.33 120.50 2dl6 n VAL 54 Ca -0.19 -0.02 -0.48 0.00 -0.01 0.00 0.00 64.34 63.63 2dl6 n VAL 54 Cb 0.55 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.75 2dl6 n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2dl6 n ASP 55 N 4.22 2.53 -0.07 4.52 -0.08 -1.12 -4.81 116.55 121.74 2dl6 n ASP 55 Ca 0.18 1.10 -0.11 0.00 -1.51 0.00 0.00 54.79 54.45 2dl6 n ASP 55 Cb 0.30 -1.33 0.03 0.00 2.34 0.00 0.00 41.12 42.45 2dl6 n ASP 55 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2dl6 h PRO 56 N 5.41 0.79 -0.84 -0.67 0.13 -1.95 -3.09 132.00 131.77 2dl6 h PRO 56 Ca -0.46 -0.41 -0.01 0.00 -0.87 0.00 0.00 66.00 64.25 2dl6 h PRO 56 Cb 1.29 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2dl6 h PRO 56 CO 0.85 1.04 0.48 0.07 -0.23 0.00 0.00 178.00 180.21 2dl6 h ARG 57 N 0.64 1.15 -0.64 0.86 0.11 -2.01 -2.47 114.38 112.02 2dl6 h ARG 57 Ca 0.05 -0.12 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 2dl6 h ARG 57 Cb 0.96 -0.24 -0.03 0.00 1.11 0.00 0.00 29.97 31.77 2dl6 h ARG 57 CO 0.09 0.82 0.25 0.35 0.10 0.00 0.00 179.97 181.59 2dl6 h PHE 58 N 1.16 0.98 0.61 4.08 3.57 -1.93 -3.17 116.94 122.23 2dl6 h PHE 58 Ca 0.30 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2dl6 h PHE 58 Cb -0.01 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 2dl6 h PHE 58 CO 0.01 0.77 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.39 2dl6 h LEU 59 N 0.90 -1.01 -0.76 0.59 3.38 -1.38 -3.12 115.31 113.92 2dl6 h LEU 59 Ca 0.21 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.31 2dl6 h LEU 59 Cb 0.21 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 2dl6 h LEU 59 CO -0.02 -0.59 -0.44 0.00 0.09 0.00 0.00 178.44 177.47 2dl6 n ALA 60 N -2.62 -0.48 -0.17 1.53 0.00 -1.04 -0.78 120.51 116.95 2dl6 n ALA 60 Ca -0.12 0.64 -0.04 0.00 0.00 0.00 0.00 53.44 53.92 2dl6 n ALA 60 Cb 0.40 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 2dl6 n ALA 60 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2dl6 n TYR 61 N -4.95 -0.18 -0.35 0.00 9.36 -1.18 0.07 117.16 119.93 2dl6 n TYR 61 Ca 0.02 0.51 -0.06 0.00 3.32 0.00 0.00 57.90 61.68 2dl6 n TYR 61 Cb 0.20 -0.47 -0.04 0.00 -0.63 0.00 0.00 39.34 38.40 2dl6 n TYR 61 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2dl6 n MET 62 N -3.97 -0.31 -0.07 2.98 2.81 0.04 -0.47 117.12 118.12 2dl6 n MET 62 Ca 0.01 1.31 -0.14 0.00 -1.81 0.00 0.00 57.70 57.07 2dl6 n MET 62 Cb 0.11 -1.93 -0.09 0.00 -0.71 0.00 0.00 33.22 30.60 2dl6 n MET 62 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2dl6 h GLU 63 N 0.00 -0.46 -0.72 0.03 4.57 -0.35 -1.27 114.58 116.38 2dl6 h GLU 63 Ca 0.20 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.55 2dl6 h GLU 63 Cb 0.41 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 28.97 2dl6 h GLU 63 CO -0.83 -0.30 -0.19 -0.25 -1.18 0.00 0.00 179.01 176.26 2dl6 n ASP 64 N -5.41 -0.28 -0.33 1.04 9.92 0.38 -0.02 116.55 121.85 2dl6 n ASP 64 Ca -0.04 1.23 -0.07 0.00 -0.53 0.00 0.00 54.79 55.38 2dl6 n ASP 64 Cb 0.36 -0.36 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 2dl6 n ASP 64 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dl6 n ARG 65 N -5.15 -0.32 0.01 -1.24 1.74 -0.48 -0.12 116.66 111.10 2dl6 n ARG 65 Ca 0.11 1.22 -0.12 0.00 -0.77 0.00 0.00 57.85 58.29 2dl6 n ARG 65 Cb 0.35 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 2dl6 n ARG 65 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dl6 h ARG 66 N 0.00 -0.46 -0.90 5.56 2.47 -0.56 -2.24 114.38 118.25 2dl6 h ARG 66 Ca 0.16 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.04 2dl6 h ARG 66 Cb 0.36 0.10 -0.14 0.00 -1.65 0.00 0.00 29.97 28.65 2dl6 h ARG 66 CO -0.77 -0.31 -0.38 1.63 0.56 0.00 0.00 179.97 180.71 2dl6 n LYS 67 N -5.43 -0.24 -0.20 0.04 4.76 0.83 -0.96 118.16 116.95 2dl6 n LYS 67 Ca -0.04 1.39 -0.05 0.00 -2.87 0.00 0.00 58.31 56.73 2dl6 n LYS 67 Cb 0.35 -2.06 -0.05 0.00 -1.84 0.00 0.00 35.03 31.44 2dl6 n LYS 67 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2dl6 n GLN 68 N -5.30 -0.21 -3.82 1.97 -0.06 -0.84 -4.59 117.38 104.52 2dl6 n GLN 68 Ca 0.08 0.95 -0.12 0.00 -2.00 0.00 0.00 57.00 55.91 2dl6 n GLN 68 Cb 0.34 -1.40 -0.10 0.00 -4.06 0.00 0.00 30.24 25.02 2dl6 n GLN 68 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2dl6 s LYS 69 N -4.62 0.48 0.48 3.69 2.20 -0.14 -5.16 119.74 116.67 2dl6 s LYS 69 Ca -0.06 -0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2dl6 s LYS 69 Cb 0.05 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 2dl6 s LYS 69 CO 0.30 -0.11 0.14 1.67 -0.36 0.00 0.00 175.35 176.99 2dl6 s TRP 70 N -1.02 2.12 0.78 4.03 1.48 -1.26 -4.65 118.94 120.42 2dl6 s TRP 70 Ca -0.11 -0.78 -0.04 0.00 -1.06 0.00 0.00 56.10 54.10 2dl6 s TRP 70 Cb -0.06 -1.80 0.14 0.00 -1.16 0.00 0.00 33.47 30.60 2dl6 s TRP 70 CO 0.02 0.10 1.07 -0.65 -4.06 0.00 0.00 176.95 173.43 2dl6 s GLN 71 N -3.95 1.44 0.09 3.25 -0.21 -1.26 -5.13 119.66 113.89 2dl6 s GLN 71 Ca 0.26 -0.95 -0.21 0.00 0.02 0.00 0.00 55.36 54.48 2dl6 s GLN 71 Cb 0.03 -2.22 0.05 0.00 1.00 0.00 0.00 33.01 31.87 2dl6 s GLN 71 CO 0.15 -1.67 0.52 1.03 -2.12 0.00 0.00 175.29 173.19 2dl6 s ARG 72 N -5.32 1.10 0.59 2.91 0.52 -1.26 -5.18 118.95 112.32 2dl6 s ARG 72 Ca 0.68 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 2dl6 s ARG 72 Cb -0.05 0.50 0.07 0.00 0.52 0.00 0.00 34.95 36.00 2dl6 s ARG 72 CO 0.46 -0.43 0.82 0.00 0.02 0.00 0.00 175.30 176.18 2dl6 s LYS 74 N -4.81 0.82 0.14 0.00 -0.14 -1.26 -5.17 119.74 109.32 2dl6 s LYS 74 Ca 0.61 -1.04 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 2dl6 s LYS 74 Cb -0.08 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.35 2dl6 s LYS 74 CO 0.40 -0.25 0.30 0.21 -0.76 0.00 0.00 175.35 175.25 2dl6 s LYS 75 N -3.89 3.47 0.34 1.68 2.20 -1.26 -5.11 119.74 117.18 2dl6 s LYS 75 Ca 0.07 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.18 2dl6 s LYS 75 Cb 0.05 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 2dl6 s LYS 75 CO -0.10 0.51 0.61 0.54 -0.36 0.00 0.00 175.35 176.55 2dl6 s ASN 76 N -2.98 6.38 -0.06 1.43 4.22 -1.26 -5.04 114.94 117.63 2dl6 s ASN 76 Ca 0.36 0.71 -0.13 0.00 -2.14 0.00 0.00 52.86 51.67 2dl6 s ASN 76 Cb -0.12 -2.15 -0.08 0.00 1.28 0.00 0.00 41.25 40.19 2dl6 s ASN 76 CO 0.28 -0.30 0.51 -0.55 -2.04 0.00 0.00 177.10 175.01 2dl6 h ASN 77 N 1.17 -0.26 -5.56 3.54 -1.07 -2.08 -3.48 115.58 107.83 2dl6 h ASN 77 Ca -0.48 -0.10 -0.33 0.00 0.07 0.00 0.00 56.30 55.45 2dl6 h ASN 77 Cb 1.20 0.07 0.16 0.00 -2.07 0.00 0.00 38.32 37.67 2dl6 h ASN 77 CO 0.64 0.24 -0.72 -1.20 0.07 0.00 0.00 177.43 176.45 2dl6 n SER 78 N -4.98 -3.00 -4.81 6.14 7.64 -1.26 -4.98 113.62 108.38 2dl6 n SER 78 Ca -0.05 -0.58 -0.34 0.00 1.01 0.00 0.00 58.87 58.90 2dl6 n SER 78 Cb 0.18 -4.96 -0.07 0.00 -1.01 0.00 0.00 64.21 58.35 2dl6 n SER 78 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dl6 s GLY 79 N -4.08 2.52 0.80 0.23 0.00 -1.26 -5.05 107.32 100.47 2dl6 s GLY 79 Ca 0.13 0.41 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 2dl6 s GLY 79 CO 0.71 0.74 1.09 2.56 0.00 0.00 0.00 173.10 178.20 2dl6 s PRO 80 N -2.78 2.07 0.44 2.90 0.04 -1.26 -5.08 135.00 131.33 2dl6 s PRO 80 Ca 0.57 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2dl6 s PRO 80 Cb -0.12 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2dl6 s PRO 80 CO 0.17 -1.76 0.02 -1.12 0.04 0.00 0.00 177.00 174.35 2dl6 s SER 81 N -3.40 3.77 0.03 6.66 0.01 -1.26 -5.15 113.70 114.35 2dl6 s SER 81 Ca 0.62 -1.49 0.06 0.00 1.31 0.00 0.00 55.95 56.45 2dl6 s SER 81 Cb -0.17 -0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 2dl6 s SER 81 CO 0.56 -0.63 -0.15 -0.55 0.41 0.00 0.00 173.24 172.88 2dl6 s SER 82 N -3.74 4.00 0.00 2.44 0.15 -1.26 -5.35 113.70 109.94 2dl6 s SER 82 Ca 0.24 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.79 2dl6 s SER 82 Cb 0.07 -0.73 0.23 0.00 -1.71 0.00 0.00 66.02 63.88 2dl6 s SER 82 CO 0.12 0.27 1.28 0.61 1.20 0.00 0.00 173.24 176.72