#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 0.19 -0.16 1.61 1.04 -1.26 -5.10 113.70 110.02 2dl6 s SER 2 Ca 0.00 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.21 2dl6 s SER 2 Cb 0.00 0.71 -0.07 0.00 0.10 0.00 0.00 66.02 66.77 2dl6 s SER 2 CO 0.00 -1.39 -0.11 -0.24 0.98 0.00 0.00 173.24 172.48 2dl6 n SER 3 N -0.99 1.83 -3.41 7.02 2.88 -1.26 -5.02 113.62 114.67 2dl6 n SER 3 Ca -0.03 0.58 -0.31 0.00 -1.33 0.00 0.00 58.87 57.77 2dl6 n SER 3 Cb 0.61 -0.89 0.02 0.00 -0.75 0.00 0.00 64.21 63.20 2dl6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl6 n GLY 4 N 1.57 -0.32 3.71 0.46 0.00 -1.26 -4.77 105.19 104.59 2dl6 n GLY 4 Ca -0.13 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.33 2dl6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dl6 s SER 5 N -1.88 6.44 0.14 1.61 1.04 -1.26 -5.00 113.70 114.79 2dl6 s SER 5 Ca 0.22 2.78 0.10 0.00 0.48 0.00 0.00 55.95 59.53 2dl6 s SER 5 Cb -0.02 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2dl6 s SER 5 CO 0.79 -0.94 -0.22 -0.55 0.98 0.00 0.00 173.24 173.30 2dl6 s SER 6 N 1.52 3.59 -0.32 7.02 0.15 -1.26 -4.87 113.70 119.53 2dl6 s SER 6 Ca 0.75 -0.70 -0.29 0.00 0.70 0.00 0.00 55.95 56.42 2dl6 s SER 6 Cb -0.47 -0.37 0.04 0.00 -1.71 0.00 0.00 66.02 63.51 2dl6 s SER 6 CO 0.33 0.16 0.48 0.61 1.20 0.00 0.00 173.24 176.02 2dl6 n GLY 7 N 0.69 0.14 3.88 9.45 0.00 -1.26 -4.91 105.19 113.19 2dl6 n GLY 7 Ca -0.16 0.84 -0.32 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.76 3.74 -0.47 1.61 -1.05 -1.26 -5.02 118.70 114.50 2dl6 s GLU 8 Ca 0.28 0.15 -0.28 0.00 -0.15 0.00 0.00 54.97 54.98 2dl6 s GLU 8 Cb -0.03 -2.73 -0.02 0.00 -0.44 0.00 0.00 34.13 30.92 2dl6 s GLU 8 CO 0.63 0.38 1.78 -1.25 0.95 0.00 0.00 175.26 177.74 2dl6 s PRO 9 N -2.72 3.05 0.16 -4.83 0.04 -1.26 -4.92 135.00 124.51 2dl6 s PRO 9 Ca 0.45 1.00 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 2dl6 s PRO 9 Cb -0.12 -4.26 0.06 0.00 0.04 0.00 0.00 34.50 30.22 2dl6 s PRO 9 CO 0.22 -2.21 0.84 1.21 0.04 0.00 0.00 177.00 177.10 2dl6 s ASN 10 N 6.70 -0.28 -0.26 6.66 2.47 -1.26 -5.13 114.94 123.84 2dl6 s ASN 10 Ca 0.72 -0.33 -0.29 0.00 0.42 0.00 0.00 52.86 53.37 2dl6 s ASN 10 Cb -0.17 0.55 0.01 0.00 -1.45 0.00 0.00 41.25 40.19 2dl6 s ASN 10 CO 0.28 -0.98 1.12 -1.00 -3.72 0.00 0.00 177.10 172.79 2dl6 s HIS 11 N -3.48 3.13 0.15 0.43 3.76 -1.26 -5.01 115.29 113.01 2dl6 s HIS 11 Ca 0.09 1.24 -0.30 0.00 -0.15 0.00 0.00 55.06 55.94 2dl6 s HIS 11 Cb -0.02 -3.52 -0.07 0.00 1.11 0.00 0.00 32.58 30.07 2dl6 s HIS 11 CO -0.01 -0.91 1.11 -0.51 -0.85 0.00 0.00 174.74 173.58 2dl6 s LEU 12 N 3.53 4.46 -0.22 0.89 1.43 -1.26 -4.95 118.68 122.57 2dl6 s LEU 12 Ca 0.47 2.07 0.06 0.00 -1.03 0.00 0.00 54.13 55.70 2dl6 s LEU 12 Cb -0.15 -3.60 -0.20 0.00 0.03 0.00 0.00 46.19 42.27 2dl6 s LEU 12 CO 0.12 -0.26 -0.05 0.47 0.23 0.00 0.00 176.35 176.86 2dl6 n ASP 13 N 2.67 1.41 -4.25 2.29 8.00 -1.26 -4.99 116.55 120.43 2dl6 n ASP 13 Ca 0.04 -0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 2dl6 n ASP 13 Cb 0.46 -0.06 0.20 0.00 -0.02 0.00 0.00 41.12 41.70 2dl6 n ASP 13 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2dl6 n VAL 14 N -3.14 0.00 -4.48 2.53 0.24 -1.26 -5.03 118.33 107.19 2dl6 n VAL 14 Ca -0.40 -0.32 -0.24 0.00 -2.04 0.00 0.00 64.34 61.34 2dl6 n VAL 14 Cb 1.04 -0.69 -0.10 0.00 -1.47 0.00 0.00 33.84 32.62 2dl6 n VAL 14 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2dl6 s ASP 15 N -1.99 3.54 0.38 -1.34 1.01 -1.26 -4.98 116.67 112.02 2dl6 s ASP 15 Ca 0.58 -1.09 0.18 0.00 0.71 0.00 0.00 52.55 52.93 2dl6 s ASP 15 Cb -0.14 -0.30 1.12 0.00 1.01 0.00 0.00 42.92 44.61 2dl6 s ASP 15 CO 0.64 -0.06 1.71 -0.07 0.21 0.00 0.00 175.17 177.60 2dl6 h LEU 16 N 2.21 0.47 -0.21 1.23 3.38 -1.96 0.39 115.31 120.84 2dl6 h LEU 16 Ca -0.40 0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.48 2dl6 h LEU 16 Cb 1.25 0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.08 2dl6 h LEU 16 CO 0.63 -0.01 -0.74 1.05 0.09 0.00 0.00 178.44 179.46 2dl6 h GLU 17 N 0.36 0.77 -6.51 1.13 4.11 -1.98 -3.32 114.58 109.14 2dl6 h GLU 17 Ca 0.68 -0.61 -0.60 0.00 0.07 0.00 0.00 59.36 58.90 2dl6 h GLU 17 Cb 1.68 0.12 0.07 0.00 0.50 0.00 0.00 28.75 31.12 2dl6 h GLU 17 CO -0.43 1.22 0.63 2.41 0.07 0.00 0.00 179.01 182.92 2dl6 n THR 18 N -3.94 0.52 -2.06 -1.06 -1.04 0.14 -4.85 114.28 101.99 2dl6 n THR 18 Ca -0.07 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 2dl6 n THR 18 Cb 0.73 -1.38 0.11 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.14 1.66 -0.07 -2.82 1.81 -1.26 -3.07 118.95 115.34 2dl6 s ARG 19 Ca 0.74 -0.25 -0.03 0.00 -1.72 0.00 0.00 55.73 54.47 2dl6 s ARG 19 Cb -0.71 -2.03 0.04 0.00 -0.45 0.00 0.00 34.95 31.80 2dl6 s ARG 19 CO 0.45 -1.69 0.06 0.42 -0.68 0.00 0.00 175.30 173.87 2dl6 s ILE 20 N -3.52 -0.08 0.30 1.52 -1.09 -1.09 -4.81 121.20 112.44 2dl6 s ILE 20 Ca 0.65 0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 59.07 2dl6 s ILE 20 Cb -0.09 -0.26 -0.10 0.00 -1.58 0.00 0.00 42.46 40.44 2dl6 s ILE 20 CO 0.48 0.09 1.24 -2.16 -1.23 0.00 0.00 174.94 173.36 2dl6 s PRO 21 N 2.15 4.46 -0.05 2.79 0.04 -1.26 -4.33 135.00 138.80 2dl6 s PRO 21 Ca 0.04 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 2dl6 s PRO 21 Cb -0.13 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2dl6 s PRO 21 CO -0.04 -0.06 0.11 0.14 0.04 0.00 0.00 177.00 177.18 2dl6 s VAL 22 N -0.98 -0.04 -0.34 -0.36 -7.23 -1.16 -1.74 120.40 108.55 2dl6 s VAL 22 Ca 0.48 0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 60.67 2dl6 s VAL 22 Cb -0.37 -0.18 -0.00 0.00 0.56 0.00 0.00 36.38 36.39 2dl6 s VAL 22 CO 0.47 0.05 0.22 -0.51 -0.31 0.00 0.00 175.10 175.02 2dl6 s ILE 23 N 0.82 4.98 0.80 -0.62 2.07 0.13 -1.28 121.20 128.09 2dl6 s ILE 23 Ca -0.06 -0.42 -0.14 0.00 -1.41 0.00 0.00 60.65 58.62 2dl6 s ILE 23 Cb -0.09 -3.60 0.04 0.00 0.13 0.00 0.00 42.46 38.94 2dl6 s ILE 23 CO -0.04 -0.05 0.94 -3.20 -1.91 0.00 0.00 174.94 170.68 2dl6 n ASN 24 N 5.06 0.14 -0.08 4.50 4.05 0.23 -2.70 115.26 126.47 2dl6 n ASN 24 Ca -0.13 0.57 -0.09 0.00 0.45 0.00 0.00 54.58 55.38 2dl6 n ASN 24 Cb 0.49 -1.40 -0.11 0.00 1.23 0.00 0.00 39.78 39.99 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 -2.37 1.27 0.39 1.20 5.02 -1.20 -3.33 118.16 119.14 2dl6 n LYS 25 Ca 0.12 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 2dl6 n LYS 25 Cb 0.50 -1.38 -0.07 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 0.03 -0.18 2.07 -1.93 -3.38 116.25 112.85 2dl6 h VAL 26 Ca -0.41 -0.17 -0.39 0.00 0.82 0.00 0.00 66.70 66.56 2dl6 h VAL 26 Cb 1.85 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2dl6 h VAL 26 CO -0.00 0.00 -2.33 -0.67 0.02 0.00 0.00 177.57 174.59 2dl6 n ASP 27 N -5.21 2.01 0.00 0.57 -0.08 -1.26 -5.03 116.55 107.55 2dl6 n ASP 27 Ca -0.13 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2dl6 n ASP 27 Cb 0.40 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.28 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dl6 n GLY 28 N 2.06 1.66 3.75 0.27 0.00 -1.21 -5.05 105.19 106.67 2dl6 n GLY 28 Ca -0.43 0.00 -0.38 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 5.02 -0.24 2.61 2.01 -1.26 -4.70 115.64 117.08 2dl6 s THR 29 Ca 0.00 1.13 -0.13 0.00 0.31 0.00 0.00 61.69 63.00 2dl6 s THR 29 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2dl6 s THR 29 CO 0.00 0.39 0.28 -0.22 -0.69 0.00 0.00 174.62 174.38 2dl6 s LEU 30 N 0.07 4.10 -0.19 4.42 2.96 -1.26 -0.60 118.68 128.19 2dl6 s LEU 30 Ca 0.29 0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 54.31 2dl6 s LEU 30 Cb -0.17 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2dl6 s LEU 30 CO 0.15 -0.04 0.35 -0.76 -1.32 0.00 0.00 176.35 174.72 2dl6 s LEU 31 N 1.41 4.19 0.01 -0.68 1.43 -0.41 -4.97 118.68 119.66 2dl6 s LEU 31 Ca 0.12 0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2dl6 s LEU 31 Cb -0.15 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2dl6 s LEU 31 CO 0.07 -0.00 0.01 0.68 0.23 0.00 0.00 176.35 177.34 2dl6 s VAL 32 N 0.97 0.09 0.00 -1.59 -7.23 -1.26 -2.97 120.40 108.41 2dl6 s VAL 32 Ca 0.18 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2dl6 s VAL 32 Cb -0.14 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.54 2dl6 s VAL 32 CO 0.06 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 2dl6 n GLY 33 N 1.84 1.58 0.10 2.32 0.00 -1.26 -3.20 105.19 106.57 2dl6 n GLY 33 Ca -0.22 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -1.00 1.61 4.11 -1.97 -3.25 114.58 114.08 2dl6 h GLU 34 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.55 2dl6 h GLU 34 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2dl6 h GLU 34 CO 0.00 0.78 0.63 -0.44 0.07 0.00 0.00 179.01 180.05 2dl6 h ASP 35 N 0.00 0.92 -3.93 3.06 3.32 -1.93 -3.41 116.42 114.45 2dl6 h ASP 35 Ca -0.01 0.05 -0.46 0.00 0.02 0.00 0.00 57.03 56.63 2dl6 h ASP 35 Cb 1.49 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 2dl6 h ASP 35 CO 0.10 0.49 0.29 0.00 -1.72 0.00 0.00 179.24 178.40 2dl6 s ALA 36 N -5.96 3.15 1.14 3.45 0.00 -1.23 -4.85 121.76 117.47 2dl6 s ALA 36 Ca -0.12 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2dl6 s ALA 36 Cb 0.22 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 20.43 2dl6 s ALA 36 CO 0.81 0.18 0.63 -0.35 0.00 0.00 0.00 175.76 177.03 2dl6 n PRO 37 N -0.14 -2.24 -4.23 0.00 -0.04 -1.26 -4.69 135.00 122.40 2dl6 n PRO 37 Ca 0.04 -1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 62.17 2dl6 n PRO 37 Cb 0.52 -0.94 -0.08 0.00 -0.04 0.00 0.00 33.50 32.96 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 -4.43 2.88 0.35 0.54 0.52 -1.26 -2.66 118.95 114.89 2dl6 s ARG 38 Ca 0.41 -0.56 0.13 0.00 -0.52 0.00 0.00 55.73 55.19 2dl6 s ARG 38 Cb -0.04 -2.73 0.96 0.00 0.52 0.00 0.00 34.95 33.66 2dl6 s ARG 38 CO 0.31 0.64 1.76 -0.09 0.02 0.00 0.00 175.30 177.94 2dl6 h ARG 39 N 4.31 0.52 0.96 3.54 9.65 -1.65 0.24 114.38 131.94 2dl6 h ARG 39 Ca -0.49 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.31 2dl6 h ARG 39 Cb 1.18 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2dl6 h ARG 39 CO 0.59 0.34 -0.49 0.00 2.80 0.00 0.00 179.97 183.21 2dl6 h ALA 40 N 1.66 -1.34 -0.07 2.80 0.00 -1.85 -2.40 119.26 118.07 2dl6 h ALA 40 Ca 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dl6 h ALA 40 Cb 1.27 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2dl6 h ALA 40 CO -0.36 -1.26 0.00 -0.85 0.00 0.00 0.00 179.25 176.78 2dl6 n GLU 41 N -5.67 1.29 -0.25 0.00 0.28 -0.72 -4.03 120.64 111.54 2dl6 n GLU 41 Ca -0.16 -0.30 0.03 0.00 -0.16 0.00 0.00 57.16 56.57 2dl6 n GLU 41 Cb 0.53 -1.32 0.26 0.00 1.43 0.00 0.00 31.44 32.34 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 0.42 0.85 0.26 -1.84 5.85 -0.01 0.41 115.31 121.25 2dl6 h LEU 42 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2dl6 h LEU 42 Cb 0.38 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2dl6 h LEU 42 CO 0.03 0.58 -0.12 1.05 -0.34 0.00 0.00 178.44 179.63 2dl6 h GLU 43 N 0.98 -0.33 0.00 1.25 4.11 -1.77 0.23 114.58 119.04 2dl6 h GLU 43 Ca 0.33 0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.76 2dl6 h GLU 43 Cb 0.07 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dl6 h GLU 43 CO -0.10 0.02 -0.12 0.00 0.07 0.00 0.00 179.01 178.89 2dl6 h MET 44 N -0.81 0.00 0.01 1.06 -0.00 -1.80 -2.34 114.93 111.06 2dl6 h MET 44 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 2dl6 h MET 44 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2dl6 h MET 44 CO 0.06 0.12 -0.08 2.35 -0.00 0.00 0.00 176.91 179.36 2dl6 h TRP 45 N 0.00 0.05 0.00 -0.10 7.01 -0.13 -3.27 115.95 119.51 2dl6 h TRP 45 Ca -0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2dl6 h TRP 45 Cb 0.26 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2dl6 h TRP 45 CO 0.00 1.03 0.01 -0.07 -2.79 0.00 0.00 178.44 176.62 2dl6 h LEU 46 N -0.94 0.00 0.87 0.65 3.38 -0.37 0.40 115.31 119.31 2dl6 h LEU 46 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2dl6 h LEU 46 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 2dl6 h LEU 46 CO 0.01 0.00 -0.42 1.56 0.09 0.00 0.00 178.44 179.68 2dl6 h GLN 47 N 0.00 -1.13 -0.02 1.13 4.20 -1.47 -2.10 115.11 115.73 2dl6 h GLN 47 Ca 0.00 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2dl6 h GLN 47 Cb 0.02 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2dl6 h GLN 47 CO 0.00 -0.75 -0.48 0.41 -0.67 0.00 0.00 178.83 177.34 2dl6 n GLY 48 N -1.28 0.02 0.80 3.46 0.00 -1.06 -4.26 105.19 102.87 2dl6 n GLY 48 Ca -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.05 0.38 0.98 1.61 8.25 0.14 -4.72 115.22 121.81 2dl6 n HIS 49 Ca 0.09 -1.56 0.08 0.00 -0.26 0.00 0.00 57.72 56.07 2dl6 n HIS 49 Cb 0.46 -0.32 0.46 0.00 1.12 0.00 0.00 29.99 31.71 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 -1.11 0.49 0.00 -0.41 -0.04 -0.79 -2.90 135.00 130.24 2dl6 n PRO 50 Ca 0.24 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2dl6 n PRO 50 Cb 0.79 -1.49 0.42 0.00 -0.04 0.00 0.00 33.50 33.18 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 -0.99 0.23 -3.46 0.54 4.71 -1.26 -4.75 120.64 115.65 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 0.05 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 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 -2.59 2.13 -0.08 -0.32 0.08 -1.14 -3.27 117.98 112.79 2dl6 s PHE 52 Ca 0.16 -0.63 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 2dl6 s PHE 52 Cb 0.11 -2.14 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 2dl6 s PHE 52 CO 0.26 -0.49 0.18 0.00 -0.10 0.00 0.00 175.22 175.06 2dl6 s ALA 53 N -2.58 -0.29 0.08 5.36 0.00 -1.10 -4.90 121.76 118.33 2dl6 s ALA 53 Ca 0.48 0.70 -0.35 0.00 0.00 0.00 0.00 51.96 52.80 2dl6 s ALA 53 Cb -0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 23.12 22.27 2dl6 s ALA 53 CO 0.29 -0.36 1.61 0.28 0.00 0.00 0.00 175.76 177.59 2dl6 n VAL 54 N 4.72 0.13 -1.64 0.00 0.31 -1.26 0.21 118.33 120.81 2dl6 n VAL 54 Ca -0.17 -0.02 -0.48 0.00 -0.01 0.00 0.00 64.34 63.66 2dl6 n VAL 54 Cb 0.51 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.89 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 4.04 2.57 0.21 4.52 5.75 -0.71 -4.79 116.55 128.13 2dl6 n ASP 55 Ca 0.19 1.09 0.15 0.00 -0.01 0.00 0.00 54.79 56.21 2dl6 n ASP 55 Cb 0.27 -1.33 0.61 0.00 -1.03 0.00 0.00 41.12 39.64 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 5.60 0.00 -0.34 0.11 0.13 -1.92 -3.00 132.00 132.58 2dl6 h PRO 56 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2dl6 h PRO 56 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2dl6 h PRO 56 CO 0.85 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 178.19 2dl6 h ARG 57 N 0.00 0.90 -0.02 0.86 2.47 -1.99 -3.02 114.38 113.58 2dl6 h ARG 57 Ca 0.00 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2dl6 h ARG 57 Cb 0.43 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2dl6 h ARG 57 CO 0.00 1.16 0.00 0.35 0.56 0.00 0.00 179.97 182.04 2dl6 h PHE 58 N 0.70 0.03 -0.10 3.04 3.57 -1.91 -3.16 116.94 119.11 2dl6 h PHE 58 Ca 0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2dl6 h PHE 58 Cb 1.03 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2dl6 h PHE 58 CO 0.07 0.31 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.04 2dl6 h LEU 59 N -0.26 -1.12 -0.76 0.59 3.38 -1.60 -2.62 115.31 112.92 2dl6 h LEU 59 Ca 0.00 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2dl6 h LEU 59 Cb 0.30 0.44 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 2dl6 h LEU 59 CO 0.00 -0.31 -0.45 0.00 0.09 0.00 0.00 178.44 177.77 2dl6 n ALA 60 N -2.86 -0.49 -0.23 1.53 0.00 -1.14 0.72 120.51 118.04 2dl6 n ALA 60 Ca -0.04 0.65 0.20 0.00 0.00 0.00 0.00 53.44 54.25 2dl6 n ALA 60 Cb 0.24 -0.04 0.38 0.00 0.00 0.00 0.00 19.45 20.03 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 -4.78 0.75 0.13 0.00 9.36 -0.99 -0.17 117.16 121.46 2dl6 n TYR 61 Ca 0.02 0.85 -0.06 0.00 3.32 0.00 0.00 57.90 62.02 2dl6 n TYR 61 Cb 0.20 -1.22 -0.03 0.00 -0.63 0.00 0.00 39.34 37.65 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 -0.37 -0.91 2.98 2.86 0.33 -3.07 114.93 116.75 2dl6 h MET 62 Ca 0.57 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 58.36 2dl6 h MET 62 Cb 1.45 0.08 -0.14 0.00 0.06 0.00 0.00 31.60 33.06 2dl6 h MET 62 CO -0.58 -0.25 -0.41 0.39 1.06 0.00 0.00 176.91 177.13 2dl6 n GLU 63 N -3.32 -0.27 -0.25 1.72 1.02 0.76 0.21 120.64 120.51 2dl6 n GLU 63 Ca -0.05 1.39 0.06 0.00 -0.02 0.00 0.00 57.16 58.54 2dl6 n GLU 63 Cb 0.17 -2.06 0.13 0.00 -0.02 0.00 0.00 31.44 29.65 2dl6 n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dl6 n ASP 64 N -5.28 -0.22 0.19 1.62 -0.08 -1.08 0.73 116.55 112.44 2dl6 n ASP 64 Ca 0.07 1.23 -0.15 0.00 -1.51 0.00 0.00 54.79 54.43 2dl6 n ASP 64 Cb 0.33 -0.39 -0.07 0.00 2.34 0.00 0.00 41.12 43.33 2dl6 n ASP 64 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2dl6 h ARG 65 N 0.00 -0.65 0.13 -0.67 3.08 -0.26 0.22 114.38 116.24 2dl6 h ARG 65 Ca 0.36 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2dl6 h ARG 65 Cb 0.61 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2dl6 h ARG 65 CO -0.72 -0.43 -0.31 0.00 -1.07 0.00 0.00 179.97 177.44 2dl6 h ARG 66 N -0.67 -0.47 -0.79 0.04 2.47 0.33 -2.36 114.38 112.93 2dl6 h ARG 66 Ca -0.01 0.03 0.17 0.00 -1.26 0.00 0.00 59.98 58.91 2dl6 h ARG 66 Cb 0.63 0.11 -0.11 0.00 -1.65 0.00 0.00 29.97 28.94 2dl6 h ARG 66 CO -0.09 -0.31 0.28 1.57 0.56 0.00 0.00 179.97 181.97 2dl6 h LYS 67 N -0.49 0.36 -0.73 0.04 2.10 -1.22 -1.39 116.57 115.23 2dl6 h LYS 67 Ca -0.01 -0.02 0.20 0.00 -2.00 0.00 0.00 60.65 58.81 2dl6 h LYS 67 Cb 0.47 -0.08 -0.14 0.00 -0.90 0.00 0.00 32.23 31.58 2dl6 h LYS 67 CO -0.13 0.24 -0.00 0.94 -2.00 0.00 0.00 179.45 178.49 2dl6 n GLN 68 N -5.07 -0.06 -3.96 0.07 -0.06 0.78 -3.97 117.38 105.10 2dl6 n GLN 68 Ca 0.16 1.10 -0.22 0.00 -2.00 0.00 0.00 57.00 56.04 2dl6 n GLN 68 Cb 0.50 -1.74 -0.17 0.00 -4.06 0.00 0.00 30.24 24.77 2dl6 n GLN 68 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2dl6 s LYS 69 N -5.67 0.84 0.27 3.69 -0.14 -0.52 -5.11 119.74 113.10 2dl6 s LYS 69 Ca -0.10 -0.04 0.07 0.00 -1.36 0.00 0.00 55.97 54.55 2dl6 s LYS 69 Cb 0.21 -1.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.32 2dl6 s LYS 69 CO 0.57 -0.20 0.19 -1.58 -0.76 0.00 0.00 175.35 173.57 2dl6 s TRP 70 N 1.48 3.02 0.14 3.18 0.52 -1.25 -4.83 118.94 121.20 2dl6 s TRP 70 Ca -0.02 -0.16 -0.20 0.00 0.02 0.00 0.00 56.10 55.74 2dl6 s TRP 70 Cb -0.13 -1.45 -0.00 0.00 -1.15 0.00 0.00 33.47 30.73 2dl6 s TRP 70 CO -0.03 0.47 1.68 1.96 0.02 0.00 0.00 176.95 181.05 2dl6 h GLN 71 N 1.49 -0.06 -5.13 4.98 7.50 -1.97 -3.46 115.11 118.46 2dl6 h GLN 71 Ca -0.47 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.35 2dl6 h GLN 71 Cb 1.24 0.01 0.12 0.00 0.05 0.00 0.00 27.48 28.91 2dl6 h GLN 71 CO 0.60 -0.04 -0.59 0.54 -1.50 0.00 0.00 178.83 177.84 2dl6 n ARG 72 N -5.25 -6.62 -3.89 1.46 5.12 -1.26 -5.01 116.66 101.22 2dl6 n ARG 72 Ca -0.02 0.71 -0.29 0.00 -1.93 0.00 0.00 57.85 56.32 2dl6 n ARG 72 Cb 0.17 -5.39 -0.04 0.00 -1.16 0.00 0.00 32.46 26.05 2dl6 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dl6 s LYS 74 N -2.84 2.74 0.17 0.00 2.47 -1.26 -5.13 119.74 115.89 2dl6 s LYS 74 Ca 0.36 -0.84 0.03 0.00 -1.56 0.00 0.00 55.97 53.95 2dl6 s LYS 74 Cb -0.12 -2.60 -0.03 0.00 -1.46 0.00 0.00 37.83 33.61 2dl6 s LYS 74 CO 0.28 0.52 0.29 0.15 0.16 0.00 0.00 175.35 176.74 2dl6 s LYS 75 N -2.69 3.40 -0.46 4.03 -0.14 -1.26 -5.08 119.74 117.53 2dl6 s LYS 75 Ca 0.29 -0.65 -0.16 0.00 -1.36 0.00 0.00 55.97 54.09 2dl6 s LYS 75 Cb -0.11 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 33.18 2dl6 s LYS 75 CO 0.21 0.50 0.40 1.21 -0.76 0.00 0.00 175.35 176.91 2dl6 s ASN 76 N -3.38 6.15 0.11 2.83 3.84 -1.26 -5.05 114.94 118.17 2dl6 s ASN 76 Ca 0.34 -1.20 -0.30 0.00 0.21 0.00 0.00 52.86 51.91 2dl6 s ASN 76 Cb -0.11 -2.19 -0.06 0.00 -0.55 0.00 0.00 41.25 38.34 2dl6 s ASN 76 CO 0.28 -0.63 1.16 0.21 -2.79 0.00 0.00 177.10 175.33 2dl6 s ASN 77 N 2.43 7.15 0.51 -4.21 2.47 -1.26 -5.04 114.94 116.99 2dl6 s ASN 77 Ca 0.05 2.04 0.02 0.00 0.42 0.00 0.00 52.86 55.40 2dl6 s ASN 77 Cb -0.23 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 36.98 2dl6 s ASN 77 CO 0.08 -0.37 0.07 -0.44 -3.72 0.00 0.00 177.10 172.72 2dl6 s SER 78 N 0.60 4.21 0.00 -4.21 0.01 -1.26 -5.11 113.70 107.94 2dl6 s SER 78 Ca 0.55 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2dl6 s SER 78 Cb -0.29 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2dl6 s SER 78 CO 0.32 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2dl6 n GLY 79 N -1.33 0.55 3.56 3.44 0.00 -1.26 -5.02 105.19 105.12 2dl6 n GLY 79 Ca -0.15 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.00 2.55 -0.42 1.61 0.04 -1.26 -4.93 135.00 130.59 2dl6 s PRO 80 Ca 0.00 -0.38 -0.16 0.00 0.04 0.00 0.00 61.00 60.50 2dl6 s PRO 80 Cb 0.00 -5.08 0.03 0.00 0.04 0.00 0.00 34.50 29.48 2dl6 s PRO 80 CO 0.00 -3.44 0.35 0.45 0.04 0.00 0.00 177.00 174.40 2dl6 s SER 81 N 7.87 6.14 0.39 6.66 0.15 -1.26 -5.07 113.70 128.58 2dl6 s SER 81 Ca 0.70 -0.88 -0.17 0.00 0.70 0.00 0.00 55.95 56.30 2dl6 s SER 81 Cb -0.06 -2.18 -0.09 0.00 -1.71 0.00 0.00 66.02 61.97 2dl6 s SER 81 CO 0.01 -0.51 0.85 -0.44 1.20 0.00 0.00 173.24 174.34 2dl6 s SER 82 N 1.81 6.79 0.00 5.45 0.01 -1.26 -5.30 113.70 121.21 2dl6 s SER 82 Ca 0.07 1.45 0.01 0.00 1.31 0.00 0.00 55.95 58.80 2dl6 s SER 82 Cb -0.19 -2.45 0.08 0.00 0.21 0.00 0.00 66.02 63.68 2dl6 s SER 82 CO 0.11 -0.33 0.58 0.61 0.41 0.00 0.00 173.24 174.62