#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 6.39 0.01 1.61 0.15 -1.26 -5.11 113.70 115.49 2dl6 s SER 2 Ca 0.00 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2dl6 s SER 2 Cb 0.00 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 2dl6 s SER 2 CO 0.00 0.23 -0.06 -0.44 1.20 0.00 0.00 173.24 174.17 2dl6 s SER 3 N -2.06 0.71 0.00 5.45 0.01 -1.26 -5.15 113.70 111.40 2dl6 s SER 3 Ca 0.30 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2dl6 s SER 3 Cb -0.13 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2dl6 s SER 3 CO 0.21 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dl6 n GLY 4 N 2.39 5.47 3.37 3.44 0.00 -1.26 -5.12 105.19 113.48 2dl6 n GLY 4 Ca -0.17 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 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 1.00 5.23 0.40 1.61 0.15 -1.26 -5.08 113.70 115.75 2dl6 s SER 5 Ca 0.00 -0.64 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 2dl6 s SER 5 Cb 0.00 -1.91 -0.09 0.00 -1.71 0.00 0.00 66.02 62.31 2dl6 s SER 5 CO 0.00 -0.19 1.29 -0.44 1.20 0.00 0.00 173.24 175.10 2dl6 s SER 6 N 1.53 6.35 0.00 5.45 0.01 -1.26 -4.35 113.70 121.44 2dl6 s SER 6 Ca 0.03 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.91 2dl6 s SER 6 Cb -0.17 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2dl6 s SER 6 CO 0.03 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2dl6 n GLY 7 N 0.67 2.47 3.63 3.44 0.00 -1.26 -5.10 105.19 109.04 2dl6 n GLY 7 Ca 0.04 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 3.90 -0.07 1.61 8.01 -1.26 -4.98 118.70 125.91 2dl6 s GLU 8 Ca 0.00 1.15 -0.30 0.00 0.01 0.00 0.00 54.97 55.83 2dl6 s GLU 8 Cb 0.00 -3.87 -0.05 0.00 -4.31 0.00 0.00 34.13 25.90 2dl6 s GLU 8 CO 0.00 -1.14 1.50 -1.25 0.01 0.00 0.00 175.26 174.37 2dl6 s PRO 9 N 4.18 4.22 0.16 0.39 0.04 -1.26 -5.02 135.00 137.70 2dl6 s PRO 9 Ca 0.55 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.64 2dl6 s PRO 9 Cb -0.15 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2dl6 s PRO 9 CO 0.23 -0.74 0.15 -0.80 0.04 0.00 0.00 177.00 175.88 2dl6 s ASN 10 N 2.62 5.60 -0.02 6.66 -0.87 -1.26 -5.04 114.94 122.63 2dl6 s ASN 10 Ca 0.66 -0.09 -0.21 0.00 -1.57 0.00 0.00 52.86 51.65 2dl6 s ASN 10 Cb -0.30 -1.49 -0.28 0.00 -0.02 0.00 0.00 41.25 39.15 2dl6 s ASN 10 CO 0.25 0.07 0.98 0.45 -2.57 0.00 0.00 177.10 176.28 2dl6 h HIS 11 N 2.45 0.58 -3.24 2.20 3.86 -2.07 -3.47 115.15 115.45 2dl6 h HIS 11 Ca -0.48 -0.38 -0.09 0.00 -1.16 0.00 0.00 60.37 58.26 2dl6 h HIS 11 Cb 1.20 -0.04 -0.17 0.00 1.06 0.00 0.00 27.41 29.46 2dl6 h HIS 11 CO 0.58 1.25 -0.21 -0.51 0.86 0.00 0.00 177.93 179.90 2dl6 s LEU 12 N -8.05 0.76 -0.16 2.43 1.43 -1.26 -5.09 118.68 108.74 2dl6 s LEU 12 Ca -0.13 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2dl6 s LEU 12 Cb 0.02 1.45 0.07 0.00 0.03 0.00 0.00 46.19 47.76 2dl6 s LEU 12 CO 0.83 -0.63 0.16 1.51 0.23 0.00 0.00 176.35 178.45 2dl6 s ASP 13 N -2.06 1.53 0.32 2.29 1.47 -1.26 -5.15 116.67 113.81 2dl6 s ASP 13 Ca -0.05 -0.20 0.04 0.00 1.18 0.00 0.00 52.55 53.52 2dl6 s ASP 13 Cb -0.01 0.14 -0.02 0.00 -0.34 0.00 0.00 42.92 42.69 2dl6 s ASP 13 CO -0.03 -0.31 0.31 0.68 0.68 0.00 0.00 175.17 176.50 2dl6 s VAL 14 N 2.25 0.00 -0.09 2.11 -7.23 -1.26 -5.16 120.40 111.02 2dl6 s VAL 14 Ca 0.04 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2dl6 s VAL 14 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2dl6 s VAL 14 CO -0.09 0.00 0.12 -1.81 -0.31 0.00 0.00 175.10 173.01 2dl6 s ASP 15 N -3.31 6.17 0.30 4.85 1.11 -1.26 -4.99 116.67 119.53 2dl6 s ASP 15 Ca 0.38 0.38 0.02 0.00 0.18 0.00 0.00 52.55 53.51 2dl6 s ASP 15 Cb 0.02 -1.94 0.74 0.00 1.07 0.00 0.00 42.92 42.81 2dl6 s ASP 15 CO 0.24 0.37 1.62 -0.07 1.18 0.00 0.00 175.17 178.51 2dl6 h LEU 16 N 4.76 -0.16 -1.31 1.23 3.38 -2.00 1.11 115.31 122.32 2dl6 h LEU 16 Ca -0.53 0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2dl6 h LEU 16 Cb 1.21 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2dl6 h LEU 16 CO 0.60 -0.24 -0.11 1.05 0.09 0.00 0.00 178.44 179.82 2dl6 h GLU 17 N 0.12 0.33 -6.67 1.13 4.11 -1.99 -3.26 114.58 108.35 2dl6 h GLU 17 Ca 0.57 -0.08 -0.52 0.00 0.07 0.00 0.00 59.36 59.40 2dl6 h GLU 17 Cb 1.19 -0.04 0.06 0.00 0.50 0.00 0.00 28.75 30.46 2dl6 h GLU 17 CO -0.75 0.45 1.00 0.99 0.07 0.00 0.00 179.01 180.78 2dl6 s THR 18 N -4.75 2.02 0.79 -1.06 2.01 0.38 -4.85 115.64 110.19 2dl6 s THR 18 Ca -0.06 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 2dl6 s THR 18 Cb 0.15 -3.01 0.08 0.00 0.01 0.00 0.00 72.50 69.73 2dl6 s THR 18 CO 0.75 0.00 1.15 -0.13 -0.69 0.00 0.00 174.62 175.70 2dl6 s ARG 19 N 1.00 1.96 -0.07 4.92 1.81 -1.26 -2.80 118.95 124.51 2dl6 s ARG 19 Ca 0.74 0.00 -0.03 0.00 -1.72 0.00 0.00 55.73 54.72 2dl6 s ARG 19 Cb -0.50 -2.00 0.04 0.00 -0.45 0.00 0.00 34.95 32.05 2dl6 s ARG 19 CO 0.34 -1.55 0.07 0.42 -0.68 0.00 0.00 175.30 173.90 2dl6 s ILE 20 N -3.52 -0.12 0.61 1.52 -1.09 -1.16 -4.81 121.20 112.64 2dl6 s ILE 20 Ca 0.62 0.31 -0.17 0.00 -2.23 0.00 0.00 60.65 59.19 2dl6 s ILE 20 Cb -0.11 -0.24 -0.02 0.00 -1.58 0.00 0.00 42.46 40.51 2dl6 s ILE 20 CO 0.48 0.09 1.12 -2.16 -1.23 0.00 0.00 174.94 173.24 2dl6 s PRO 21 N 2.17 3.02 -0.22 2.79 0.04 -1.26 -4.58 135.00 136.97 2dl6 s PRO 21 Ca 0.04 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 2dl6 s PRO 21 Cb -0.13 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2dl6 s PRO 21 CO -0.04 -1.09 0.56 0.14 0.04 0.00 0.00 177.00 176.60 2dl6 s VAL 22 N -2.12 -0.00 -0.31 -0.36 -7.23 -1.21 -3.51 120.40 105.66 2dl6 s VAL 22 Ca 0.69 0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.81 2dl6 s VAL 22 Cb -0.22 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2dl6 s VAL 22 CO 0.36 0.01 0.09 -0.51 -0.31 0.00 0.00 175.10 174.73 2dl6 s ILE 23 N 0.74 3.91 1.04 -0.62 2.07 0.46 -1.41 121.20 127.39 2dl6 s ILE 23 Ca -0.04 -0.81 -0.14 0.00 -1.41 0.00 0.00 60.65 58.26 2dl6 s ILE 23 Cb -0.05 -3.07 0.13 0.00 0.13 0.00 0.00 42.46 39.61 2dl6 s ILE 23 CO -0.05 0.01 0.59 -3.20 -1.91 0.00 0.00 174.94 170.39 2dl6 n ASN 24 N 4.85 -1.56 -0.05 4.50 4.05 0.05 -2.95 115.26 124.15 2dl6 n ASN 24 Ca -0.14 0.13 -0.05 0.00 0.45 0.00 0.00 54.58 54.97 2dl6 n ASN 24 Cb 0.47 -1.21 -0.07 0.00 1.23 0.00 0.00 39.78 40.19 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 -3.04 2.27 0.30 1.20 5.02 -1.22 -3.48 118.16 119.21 2dl6 n LYS 25 Ca 0.06 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 2dl6 n LYS 25 Cb 0.55 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.24 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 0.41 0.00 -0.18 2.07 -1.94 -3.38 116.25 113.23 2dl6 h VAL 26 Ca -0.26 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 66.90 2dl6 h VAL 26 Cb 1.57 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2dl6 h VAL 26 CO 0.01 0.03 -1.68 -0.90 0.02 0.00 0.00 177.57 175.04 2dl6 n ASP 27 N -5.37 2.73 -0.32 0.57 5.68 -1.26 -5.07 116.55 113.52 2dl6 n ASP 27 Ca -0.12 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 2dl6 n ASP 27 Cb 0.33 0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dl6 n GLY 28 N 2.56 0.83 3.62 6.12 0.00 -1.23 -5.04 105.19 112.06 2dl6 n GLY 28 Ca -0.18 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.07 4.57 -0.27 2.61 2.01 -1.26 -4.75 115.64 116.48 2dl6 s THR 29 Ca 0.00 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.77 2dl6 s THR 29 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2dl6 s THR 29 CO 0.00 0.49 0.19 -0.22 -0.69 0.00 0.00 174.62 174.40 2dl6 s LEU 30 N 0.13 4.03 -0.13 4.42 2.96 -1.26 -0.77 118.68 128.07 2dl6 s LEU 30 Ca 0.03 0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2dl6 s LEU 30 Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2dl6 s LEU 30 CO 0.01 -0.04 0.39 -0.76 -1.32 0.00 0.00 176.35 174.63 2dl6 s LEU 31 N 1.68 4.27 0.01 -0.68 1.43 -0.50 -4.94 118.68 119.95 2dl6 s LEU 31 Ca 0.07 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2dl6 s LEU 31 Cb -0.16 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 2dl6 s LEU 31 CO 0.10 0.07 0.00 0.68 0.23 0.00 0.00 176.35 177.43 2dl6 s VAL 32 N 0.45 0.06 0.00 -1.59 -7.23 -1.26 -3.34 120.40 107.49 2dl6 s VAL 32 Ca 0.21 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2dl6 s VAL 32 Cb -0.14 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.62 2dl6 s VAL 32 CO 0.07 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2dl6 n GLY 33 N 2.22 2.14 0.21 2.32 0.00 -1.26 -3.05 105.19 107.77 2dl6 n GLY 33 Ca -0.19 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 0.68 -0.97 1.61 4.11 -1.98 -2.78 114.58 115.25 2dl6 h GLU 34 Ca 0.00 -0.10 0.32 0.00 0.07 0.00 0.00 59.36 59.65 2dl6 h GLU 34 Cb 0.00 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 28.96 2dl6 h GLU 34 CO 0.00 0.57 0.33 -0.44 0.07 0.00 0.00 179.01 179.54 2dl6 h ASP 35 N 0.62 0.05 -3.25 3.06 5.19 -1.94 -3.38 116.42 116.77 2dl6 h ASP 35 Ca 0.16 0.24 -0.57 0.00 -0.62 0.00 0.00 57.03 56.24 2dl6 h ASP 35 Cb 0.11 0.31 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 2dl6 h ASP 35 CO -0.02 -0.31 -0.10 0.00 -3.12 0.00 0.00 179.24 175.70 2dl6 s ALA 36 N -5.77 3.60 1.25 3.45 0.00 -1.05 -4.84 121.76 118.40 2dl6 s ALA 36 Ca -0.11 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 2dl6 s ALA 36 Cb 0.30 -2.52 0.31 0.00 0.00 0.00 0.00 23.12 21.21 2dl6 s ALA 36 CO 0.78 0.45 1.11 -1.25 0.00 0.00 0.00 175.76 176.85 2dl6 s PRO 37 N -1.64 -1.62 0.43 0.00 0.04 -1.26 -4.76 135.00 126.19 2dl6 s PRO 37 Ca 0.34 -0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.18 2dl6 s PRO 37 Cb -0.16 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 2dl6 s PRO 37 CO 0.18 -3.95 0.64 1.03 0.04 0.00 0.00 177.00 174.94 2dl6 s ARG 38 N -5.52 3.06 0.06 4.56 0.52 -1.26 -3.01 118.95 117.36 2dl6 s ARG 38 Ca 0.72 -0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 55.10 2dl6 s ARG 38 Cb -0.07 -2.60 -0.16 0.00 0.52 0.00 0.00 34.95 32.63 2dl6 s ARG 38 CO 0.56 -0.23 1.63 -0.09 0.02 0.00 0.00 175.30 177.19 2dl6 h ARG 39 N 0.47 -0.05 -0.52 3.54 9.65 -1.56 0.66 114.38 126.57 2dl6 h ARG 39 Ca -0.46 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.52 2dl6 h ARG 39 Cb 1.25 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.74 2dl6 h ARG 39 CO 0.56 0.07 -0.32 0.00 2.80 0.00 0.00 179.97 183.08 2dl6 h ALA 40 N 0.80 -0.07 -0.01 2.80 0.00 -1.87 -0.58 119.26 120.31 2dl6 h ALA 40 Ca -0.01 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2dl6 h ALA 40 Cb 0.14 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2dl6 h ALA 40 CO 0.01 -0.68 -0.79 1.05 0.00 0.00 0.00 179.25 178.83 2dl6 h GLU 41 N -0.19 0.18 -1.29 0.00 4.11 -1.87 -3.26 114.58 112.26 2dl6 h GLU 41 Ca 0.21 -0.17 0.40 0.00 0.07 0.00 0.00 59.36 59.87 2dl6 h GLU 41 Cb 0.54 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2dl6 h GLU 41 CO -0.63 0.88 0.89 -0.11 0.07 0.00 0.00 179.01 180.11 2dl6 n LEU 42 N -3.71 0.08 0.21 3.06 7.94 0.23 -0.02 117.00 124.78 2dl6 n LEU 42 Ca -0.03 0.90 -0.08 0.00 -1.11 0.00 0.00 56.01 55.69 2dl6 n LEU 42 Cb 0.75 -0.44 -0.04 0.00 0.53 0.00 0.00 43.42 44.22 2dl6 n LEU 42 CO 0.46 -0.94 0.47 -0.08 -1.11 0.00 0.00 177.39 176.19 2dl6 h GLU 43 N 0.00 -0.51 -0.08 1.96 4.81 -1.59 0.14 114.58 119.32 2dl6 h GLU 43 Ca 0.69 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.91 2dl6 h GLU 43 Cb 2.54 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 32.02 2dl6 h GLU 43 CO -0.17 -0.34 -0.19 0.52 -0.73 0.00 0.00 179.01 178.10 2dl6 h MET 44 N -0.56 0.12 -0.55 1.92 2.86 -0.69 -2.60 114.93 115.44 2dl6 h MET 44 Ca -0.05 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 2dl6 h MET 44 Cb 0.40 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2dl6 h MET 44 CO 0.09 0.31 -0.08 2.35 1.06 0.00 0.00 176.91 180.65 2dl6 h TRP 45 N 0.12 1.11 0.00 -0.22 7.01 -0.60 -2.34 115.95 121.03 2dl6 h TRP 45 Ca 0.02 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.81 2dl6 h TRP 45 Cb 0.41 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2dl6 h TRP 45 CO 0.00 1.02 0.00 -0.07 -2.79 0.00 0.00 178.44 176.60 2dl6 h LEU 46 N 0.90 0.00 -0.37 0.65 3.38 -0.32 0.42 115.31 119.98 2dl6 h LEU 46 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2dl6 h LEU 46 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dl6 h LEU 46 CO 0.04 0.00 0.03 1.56 0.09 0.00 0.00 178.44 180.17 2dl6 h GLN 47 N 0.00 0.63 -0.00 1.13 1.08 -1.27 -2.55 115.11 114.12 2dl6 h GLN 47 Ca 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 2dl6 h GLN 47 Cb 0.37 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2dl6 h GLN 47 CO 0.00 0.71 -0.26 0.41 -0.95 0.00 0.00 178.83 178.75 2dl6 n GLY 48 N -0.43 0.12 0.86 3.46 0.00 -1.13 -4.56 105.19 103.50 2dl6 n GLY 48 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.81 0.49 0.97 1.61 8.25 0.15 -4.73 115.22 121.15 2dl6 n HIS 49 Ca 0.02 -1.59 0.06 0.00 -0.26 0.00 0.00 57.72 55.95 2dl6 n HIS 49 Cb 0.13 -0.33 0.36 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.09 0.49 0.00 -0.41 -0.04 -0.96 -3.06 135.00 129.92 2dl6 n PRO 50 Ca 0.25 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 2dl6 n PRO 50 Cb 0.80 -1.39 0.27 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.89 0.04 -3.27 0.54 4.71 -1.26 -4.72 120.64 115.79 2dl6 n GLU 51 Ca 0.09 0.26 -0.21 0.00 -0.01 0.00 0.00 57.16 57.29 2dl6 n GLU 51 Cb 0.04 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.01 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 -2.89 1.52 -0.20 -0.32 0.40 -1.17 -3.42 117.98 111.89 2dl6 s PHE 52 Ca 0.07 -0.74 -0.09 0.00 -0.60 0.00 0.00 56.93 55.57 2dl6 s PHE 52 Cb 0.08 -2.14 0.08 0.00 0.51 0.00 0.00 43.02 41.55 2dl6 s PHE 52 CO 0.21 -0.94 0.46 0.00 0.70 0.00 0.00 175.22 175.65 2dl6 s ALA 53 N -2.68 -1.25 0.13 5.36 0.00 -1.15 -4.94 121.76 117.23 2dl6 s ALA 53 Ca 0.54 1.68 -0.35 0.00 0.00 0.00 0.00 51.96 53.84 2dl6 s ALA 53 Cb -0.05 -1.18 -0.15 0.00 0.00 0.00 0.00 23.12 21.74 2dl6 s ALA 53 CO 0.34 -0.49 1.46 0.28 0.00 0.00 0.00 175.76 177.34 2dl6 n VAL 54 N 4.74 0.08 -1.75 0.00 0.31 -1.26 -0.41 118.33 120.04 2dl6 n VAL 54 Ca -0.17 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 2dl6 n VAL 54 Cb 0.53 -1.21 -0.01 0.00 -0.91 0.00 0.00 33.84 32.24 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 2.94 3.51 -0.08 4.52 -0.08 -1.23 -4.80 116.55 121.33 2dl6 n ASP 55 Ca 0.17 1.20 -0.13 0.00 -1.51 0.00 0.00 54.79 54.52 2dl6 n ASP 55 Cb 0.25 -1.57 -0.05 0.00 2.34 0.00 0.00 41.12 42.08 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 3.32 0.61 -0.44 -0.67 0.13 -1.97 -3.26 132.00 129.72 2dl6 h PRO 56 Ca -0.49 -0.32 0.09 0.00 -0.87 0.00 0.00 66.00 64.41 2dl6 h PRO 56 Cb 1.25 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 2dl6 h PRO 56 CO 0.68 0.92 -0.23 0.00 -0.23 0.00 0.00 178.00 179.14 2dl6 h ARG 57 N 0.32 -0.14 -1.01 0.86 -0.00 -2.01 0.68 114.38 113.10 2dl6 h ARG 57 Ca 0.04 0.01 0.20 0.00 -0.50 0.00 0.00 59.98 59.73 2dl6 h ARG 57 Cb 0.81 0.03 -0.11 0.00 0.00 0.00 0.00 29.97 30.70 2dl6 h ARG 57 CO 0.06 -0.09 0.61 0.35 0.00 0.00 0.00 179.97 180.90 2dl6 h PHE 58 N -0.14 1.06 0.38 3.04 3.57 -1.96 -1.65 116.94 121.24 2dl6 h PHE 58 Ca 0.21 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2dl6 h PHE 58 Cb 0.46 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2dl6 h PHE 58 CO -0.48 0.20 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.55 2dl6 h LEU 59 N 0.73 -0.43 -0.99 0.59 3.38 -0.94 -3.06 115.31 114.58 2dl6 h LEU 59 Ca 0.59 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.71 2dl6 h LEU 59 Cb 0.96 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 2dl6 h LEU 59 CO -0.40 -0.23 -0.29 0.00 0.09 0.00 0.00 178.44 177.60 2dl6 h ALA 60 N -0.02 0.49 -0.78 1.53 0.00 -0.64 0.38 119.26 120.23 2dl6 h ALA 60 Ca -0.05 0.35 0.28 0.00 0.00 0.00 0.00 54.91 55.49 2dl6 h ALA 60 Cb 0.45 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2dl6 h ALA 60 CO 0.09 -0.46 0.26 0.98 0.00 0.00 0.00 179.25 180.11 2dl6 n TYR 61 N -5.58 0.74 0.41 0.00 9.36 -1.13 0.32 117.16 121.28 2dl6 n TYR 61 Ca 0.14 0.92 -0.19 0.00 3.32 0.00 0.00 57.90 62.09 2dl6 n TYR 61 Cb 0.46 -1.23 -0.10 0.00 -0.63 0.00 0.00 39.34 37.84 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 -1.12 -0.73 2.98 2.86 -0.37 -3.07 114.93 115.48 2dl6 h MET 62 Ca 0.58 0.08 0.10 0.00 -2.06 0.00 0.00 59.70 58.40 2dl6 h MET 62 Cb 1.43 0.25 -0.12 0.00 0.06 0.00 0.00 31.60 33.22 2dl6 h MET 62 CO -0.65 -0.74 -0.44 0.93 1.06 0.00 0.00 176.91 177.06 2dl6 h GLU 63 N -1.16 -0.14 -1.37 1.72 4.39 -0.21 0.48 114.58 118.29 2dl6 h GLU 63 Ca -0.10 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.04 2dl6 h GLU 63 Cb 0.94 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.53 2dl6 h GLU 63 CO 0.08 -0.09 0.94 -3.47 -1.16 0.00 0.00 179.01 175.31 2dl6 n ASP 64 N -5.40 0.09 -0.05 1.42 2.03 -1.01 -0.16 116.55 113.46 2dl6 n ASP 64 Ca 0.04 0.97 -0.15 0.00 0.52 0.00 0.00 54.79 56.17 2dl6 n ASP 64 Cb 0.35 -0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 40.17 2dl6 n ASP 64 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2dl6 h ARG 65 N 0.00 -0.49 0.00 -0.67 2.47 -0.08 0.16 114.38 115.76 2dl6 h ARG 65 Ca 0.74 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.48 2dl6 h ARG 65 Cb 2.69 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 31.12 2dl6 h ARG 65 CO -0.19 -0.33 -0.08 0.07 0.56 0.00 0.00 179.97 180.00 2dl6 h ARG 66 N -0.51 0.00 -0.07 0.04 0.11 -0.71 -1.48 114.38 111.75 2dl6 h ARG 66 Ca 0.05 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.04 2dl6 h ARG 66 Cb 0.64 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 2dl6 h ARG 66 CO -0.49 0.08 -0.35 0.87 0.10 0.00 0.00 179.97 180.18 2dl6 h LYS 67 N 0.00 0.13 -0.40 0.08 1.57 -0.73 -2.11 116.57 115.12 2dl6 h LYS 67 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2dl6 h LYS 67 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2dl6 h LYS 67 CO 0.01 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 2dl6 n GLN 68 N -4.10 1.86 -3.59 3.15 10.64 0.26 -4.69 117.38 120.92 2dl6 n GLN 68 Ca -0.01 -1.12 -0.22 0.00 -1.83 0.00 0.00 57.00 53.81 2dl6 n GLN 68 Cb 0.41 -1.34 -0.16 0.00 -0.86 0.00 0.00 30.24 28.30 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 -1.62 0.08 0.27 2.61 2.47 -0.79 -5.08 119.74 117.68 2dl6 s LYS 69 Ca 0.21 0.11 -0.20 0.00 -1.56 0.00 0.00 55.97 54.52 2dl6 s LYS 69 Cb 0.12 -1.38 -0.09 0.00 -1.46 0.00 0.00 37.83 35.02 2dl6 s LYS 69 CO 0.12 -0.60 0.77 -1.58 0.16 0.00 0.00 175.35 174.23 2dl6 s TRP 70 N 2.21 3.59 0.45 4.03 0.51 -1.26 -4.84 118.94 123.63 2dl6 s TRP 70 Ca 0.04 1.43 -0.10 0.00 -2.12 0.00 0.00 56.10 55.35 2dl6 s TRP 70 Cb -0.15 -2.67 -0.06 0.00 -0.81 0.00 0.00 33.47 29.78 2dl6 s TRP 70 CO -0.09 0.25 0.82 1.14 -0.51 0.00 0.00 176.95 178.56 2dl6 s GLN 71 N -2.24 3.74 -0.13 4.98 -2.07 -1.26 -5.03 119.66 117.65 2dl6 s GLN 71 Ca 0.47 0.50 -0.11 0.00 -1.82 0.00 0.00 55.36 54.41 2dl6 s GLN 71 Cb -0.15 -2.33 -0.08 0.00 -1.09 0.00 0.00 33.01 29.35 2dl6 s GLN 71 CO 0.20 -0.15 0.16 0.00 -1.32 0.00 0.00 175.29 174.19 2dl6 h ARG 72 N 0.88 0.00 -5.38 9.60 2.47 -2.06 -3.48 114.38 116.40 2dl6 h ARG 72 Ca -0.47 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.73 2dl6 h ARG 72 Cb 1.19 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.37 2dl6 h ARG 72 CO 0.63 0.33 -0.61 0.00 0.56 0.00 0.00 179.97 180.88 2dl6 s LYS 74 N -3.82 -0.34 -0.20 0.00 3.01 -1.26 -5.07 119.74 112.05 2dl6 s LYS 74 Ca 0.36 0.34 -0.05 0.00 -1.01 0.00 0.00 55.97 55.60 2dl6 s LYS 74 Cb 0.09 -1.66 0.10 0.00 -1.01 0.00 0.00 37.83 35.35 2dl6 s LYS 74 CO 0.16 -3.21 0.37 0.21 0.51 0.00 0.00 175.35 173.39 2dl6 s LYS 75 N -5.05 0.30 1.01 1.68 2.20 -1.26 -5.16 119.74 113.45 2dl6 s LYS 75 Ca 0.67 0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 2dl6 s LYS 75 Cb -0.16 -0.10 0.20 0.00 -1.51 0.00 0.00 37.83 36.25 2dl6 s LYS 75 CO 0.58 -0.42 1.08 0.54 -0.36 0.00 0.00 175.35 176.77 2dl6 s ASN 76 N 2.54 2.46 0.37 1.43 2.20 -1.26 -5.04 114.94 117.64 2dl6 s ASN 76 Ca 0.04 1.30 -0.02 0.00 -0.94 0.00 0.00 52.86 53.25 2dl6 s ASN 76 Cb -0.13 -1.99 -0.04 0.00 -2.00 0.00 0.00 41.25 37.09 2dl6 s ASN 76 CO -0.13 -3.25 0.60 0.54 -2.94 0.00 0.00 177.10 171.92 2dl6 s ASN 77 N -3.28 6.31 0.72 3.54 2.20 -1.26 -5.10 114.94 118.08 2dl6 s ASN 77 Ca 0.66 0.61 -0.09 0.00 -0.94 0.00 0.00 52.86 53.09 2dl6 s ASN 77 Cb -0.20 -2.10 0.06 0.00 -2.00 0.00 0.00 41.25 37.01 2dl6 s ASN 77 CO 0.59 -0.34 1.06 -0.44 -2.94 0.00 0.00 177.10 175.02 2dl6 s SER 78 N -3.91 4.88 0.00 3.54 0.01 -1.26 -5.02 113.70 111.94 2dl6 s SER 78 Ca 0.42 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2dl6 s SER 78 Cb -0.10 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.81 2dl6 s SER 78 CO 0.37 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 173.03 2dl6 n GLY 79 N -3.01 1.56 3.55 3.44 0.00 -1.26 -5.00 105.19 104.47 2dl6 n GLY 79 Ca 0.07 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.34 2.61 0.17 1.61 0.04 -1.26 -4.88 135.00 131.96 2dl6 s PRO 80 Ca 0.00 0.53 -0.28 0.00 0.04 0.00 0.00 61.00 61.30 2dl6 s PRO 80 Cb 0.00 -4.45 0.01 0.00 0.04 0.00 0.00 34.50 30.10 2dl6 s PRO 80 CO 0.00 -2.80 1.55 0.77 0.04 0.00 0.00 177.00 176.56 2dl6 h SER 81 N 14.68 -1.90 -3.86 6.66 0.02 -1.96 -3.38 113.55 123.81 2dl6 h SER 81 Ca -0.23 0.31 -0.52 0.00 -0.84 0.00 0.00 61.79 60.51 2dl6 h SER 81 Cb 1.15 0.86 0.05 0.00 0.14 0.00 0.00 62.40 64.61 2dl6 h SER 81 CO 1.22 -0.27 0.60 -0.44 -1.14 0.00 0.00 176.83 176.80 2dl6 s SER 82 N -5.38 6.88 0.00 3.07 0.01 -1.26 -5.27 113.70 111.75 2dl6 s SER 82 Ca -0.13 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2dl6 s SER 82 Cb 0.13 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2dl6 s SER 82 CO 0.65 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.46