#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 2.45 0.20 1.61 0.01 -1.26 -5.13 113.70 111.57 2dl6 s SER 2 Ca 0.00 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.90 2dl6 s SER 2 Cb 0.00 -1.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.08 2dl6 s SER 2 CO 0.00 0.04 -0.13 -0.44 0.41 0.00 0.00 173.24 173.12 2dl6 s SER 3 N 0.87 2.42 1.24 2.44 0.01 -1.26 -5.00 113.70 114.41 2dl6 s SER 3 Ca -0.09 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2dl6 s SER 3 Cb -0.15 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2dl6 s SER 3 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dl6 n GLY 4 N -0.36 0.76 2.93 3.44 0.00 -1.26 -4.47 105.19 106.22 2dl6 n GLY 4 Ca -0.08 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 2dl6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl6 s SER 5 N -4.00 -0.04 -0.09 1.61 0.01 -1.26 -5.10 113.70 104.82 2dl6 s SER 5 Ca 0.00 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.57 2dl6 s SER 5 Cb 0.00 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.48 2dl6 s SER 5 CO 0.00 -0.16 0.01 -0.44 0.41 0.00 0.00 173.24 173.06 2dl6 s SER 6 N 1.29 1.82 -0.99 2.44 0.01 -1.26 -4.79 113.70 112.21 2dl6 s SER 6 Ca -0.08 -0.21 -0.21 0.00 1.31 0.00 0.00 55.95 56.76 2dl6 s SER 6 Cb -0.12 -0.48 0.08 0.00 0.21 0.00 0.00 66.02 65.72 2dl6 s SER 6 CO -0.06 -0.21 1.32 -0.83 0.41 0.00 0.00 173.24 173.87 2dl6 s GLY 7 N 1.95 1.54 -0.02 3.44 0.00 -1.26 -4.84 107.32 108.13 2dl6 s GLY 7 Ca 0.04 -2.48 -0.09 0.00 0.00 0.00 0.00 44.72 42.19 2dl6 s GLY 7 CO -0.06 2.41 0.20 -0.54 0.00 0.00 0.00 173.10 175.11 2dl6 s GLU 8 N 4.02 0.48 -0.82 2.90 0.41 -1.26 -5.10 118.70 119.33 2dl6 s GLU 8 Ca 0.41 -0.19 -0.25 0.00 -0.41 0.00 0.00 54.97 54.53 2dl6 s GLU 8 Cb -0.02 0.21 -0.04 0.00 -1.78 0.00 0.00 34.13 32.50 2dl6 s GLU 8 CO -0.09 -0.11 1.92 -1.25 -0.49 0.00 0.00 175.26 175.24 2dl6 s PRO 9 N -1.03 2.57 0.38 0.39 0.04 -1.26 -4.94 135.00 131.15 2dl6 s PRO 9 Ca -0.11 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 60.97 2dl6 s PRO 9 Cb -0.06 -4.87 -0.07 0.00 0.04 0.00 0.00 34.50 29.54 2dl6 s PRO 9 CO 0.02 -3.20 -0.02 -0.80 0.04 0.00 0.00 177.00 173.04 2dl6 s ASN 10 N 8.06 3.87 0.51 6.66 -0.87 -1.26 -5.16 114.94 126.75 2dl6 s ASN 10 Ca 0.69 -1.27 0.04 0.00 -1.57 0.00 0.00 52.86 50.75 2dl6 s ASN 10 Cb -0.08 -0.39 0.01 0.00 -0.02 0.00 0.00 41.25 40.76 2dl6 s ASN 10 CO 0.05 -0.35 0.20 -1.00 -2.57 0.00 0.00 177.10 173.44 2dl6 s HIS 11 N -2.65 1.84 0.02 2.20 3.76 -1.26 -5.06 115.29 114.13 2dl6 s HIS 11 Ca 0.34 -0.86 -0.32 0.00 -0.15 0.00 0.00 55.06 54.07 2dl6 s HIS 11 Cb 0.06 -1.79 -0.10 0.00 1.11 0.00 0.00 32.58 31.86 2dl6 s HIS 11 CO 0.18 -0.09 1.90 1.28 -0.85 0.00 0.00 174.74 177.16 2dl6 n LEU 12 N -1.49 3.86 -3.85 0.89 4.77 -1.26 -4.96 117.00 114.96 2dl6 n LEU 12 Ca -0.09 0.95 -0.30 0.00 -0.03 0.00 0.00 56.01 56.54 2dl6 n LEU 12 Cb 0.65 -1.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.11 2dl6 n LEU 12 CO 0.39 0.09 -0.38 -1.81 -1.33 0.00 0.00 177.39 174.35 2dl6 s ASP 13 N 3.83 3.72 0.36 -1.43 1.11 -1.26 -5.12 116.67 117.88 2dl6 s ASP 13 Ca 0.88 -1.25 0.05 0.00 0.18 0.00 0.00 52.55 52.41 2dl6 s ASP 13 Cb -0.54 -1.00 -0.03 0.00 1.07 0.00 0.00 42.92 42.42 2dl6 s ASP 13 CO 0.44 -0.30 0.19 0.68 1.18 0.00 0.00 175.17 177.36 2dl6 s VAL 14 N 1.52 0.31 -0.10 -1.27 -7.23 -1.26 -5.16 120.40 107.22 2dl6 s VAL 14 Ca -0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2dl6 s VAL 14 Cb -0.18 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2dl6 s VAL 14 CO -0.11 0.00 -0.04 1.51 -0.31 0.00 0.00 175.10 176.16 2dl6 s ASP 15 N -3.47 4.88 0.32 4.85 -4.77 -1.26 -5.00 116.67 112.23 2dl6 s ASP 15 Ca 0.32 0.00 0.06 0.00 -3.30 0.00 0.00 52.55 49.64 2dl6 s ASP 15 Cb 0.03 -1.44 0.89 0.00 -1.09 0.00 0.00 42.92 41.31 2dl6 s ASP 15 CO 0.20 0.31 1.57 -0.07 0.70 0.00 0.00 175.17 177.89 2dl6 h LEU 16 N 5.62 -0.30 -0.98 2.11 3.38 -1.99 1.25 115.31 124.40 2dl6 h LEU 16 Ca -0.44 0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.90 2dl6 h LEU 16 Cb 1.18 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 2dl6 h LEU 16 CO 0.56 -0.37 0.62 -0.33 0.09 0.00 0.00 178.44 179.00 2dl6 h GLU 17 N 0.01 1.01 -6.53 1.13 4.39 -1.98 -3.28 114.58 109.33 2dl6 h GLU 17 Ca 0.66 -0.06 -0.60 0.00 0.34 0.00 0.00 59.36 59.69 2dl6 h GLU 17 Cb 1.46 -0.23 0.09 0.00 -0.10 0.00 0.00 28.75 29.97 2dl6 h GLU 17 CO -0.89 0.67 0.44 2.41 -1.16 0.00 0.00 179.01 180.48 2dl6 n THR 18 N -4.59 1.23 -3.29 1.13 -1.04 0.43 -4.79 114.28 103.35 2dl6 n THR 18 Ca 0.17 -0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 61.64 2dl6 n THR 18 Cb 0.28 -1.26 -0.00 0.00 -1.82 0.00 0.00 70.33 67.53 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 -0.76 3.27 -0.18 -2.82 1.81 -1.26 -2.31 118.95 116.69 2dl6 s ARG 19 Ca 0.66 -0.52 0.01 0.00 -1.72 0.00 0.00 55.73 54.16 2dl6 s ARG 19 Cb -0.70 -2.67 0.03 0.00 -0.45 0.00 0.00 34.95 31.17 2dl6 s ARG 19 CO 0.53 0.00 -0.13 0.42 -0.68 0.00 0.00 175.30 175.44 2dl6 s ILE 20 N -2.36 1.74 0.30 1.52 -1.09 -1.08 -4.83 121.20 115.40 2dl6 s ILE 20 Ca 0.43 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 2dl6 s ILE 20 Cb -0.10 -1.71 -0.10 0.00 -1.58 0.00 0.00 42.46 38.97 2dl6 s ILE 20 CO 0.35 0.32 1.23 -2.16 -1.23 0.00 0.00 174.94 173.46 2dl6 s PRO 21 N 1.38 4.46 -0.08 2.79 0.04 -1.26 -4.22 135.00 138.11 2dl6 s PRO 21 Ca 0.01 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 2dl6 s PRO 21 Cb -0.15 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2dl6 s PRO 21 CO -0.10 -0.05 0.19 0.14 0.04 0.00 0.00 177.00 177.23 2dl6 s VAL 22 N -1.05 -0.02 -0.33 -0.36 -7.23 -1.18 -1.73 120.40 108.49 2dl6 s VAL 22 Ca 0.48 0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 2dl6 s VAL 22 Cb -0.37 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.29 2dl6 s VAL 22 CO 0.48 0.03 0.17 -0.51 -0.31 0.00 0.00 175.10 174.95 2dl6 s ILE 23 N 0.55 4.60 0.63 -0.62 2.07 0.18 -1.32 121.20 127.29 2dl6 s ILE 23 Ca -0.04 -0.56 -0.18 0.00 -1.41 0.00 0.00 60.65 58.46 2dl6 s ILE 23 Cb -0.05 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 39.08 2dl6 s ILE 23 CO -0.03 -0.03 0.95 -3.20 -1.91 0.00 0.00 174.94 170.72 2dl6 n ASN 24 N 4.99 0.63 -0.08 4.50 4.05 0.04 -3.05 115.26 126.33 2dl6 n ASN 24 Ca -0.13 0.77 -0.08 0.00 0.45 0.00 0.00 54.58 55.58 2dl6 n ASN 24 Cb 0.48 -1.39 -0.13 0.00 1.23 0.00 0.00 39.78 39.97 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 -1.17 1.24 0.27 1.20 4.76 -1.22 -3.18 118.16 120.06 2dl6 n LYS 25 Ca 0.14 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 2dl6 n LYS 25 Cb 0.48 -1.43 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 2dl6 n LYS 25 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2dl6 h VAL 26 N 0.00 0.21 0.02 -0.18 2.07 -1.93 -3.39 116.25 113.06 2dl6 h VAL 26 Ca -0.46 -0.44 -0.38 0.00 0.82 0.00 0.00 66.70 66.24 2dl6 h VAL 26 Cb 2.04 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 2dl6 h VAL 26 CO 0.02 0.04 -2.18 -0.67 0.02 0.00 0.00 177.57 174.81 2dl6 n ASP 27 N -5.28 1.97 0.00 0.57 2.03 -1.26 -5.04 116.55 109.54 2dl6 n ASP 27 Ca -0.10 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2dl6 n ASP 27 Cb 0.32 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 1.69 1.41 3.78 0.27 0.00 -1.19 -5.06 105.19 106.09 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 5.30 -0.09 2.61 2.01 -1.26 -4.76 115.64 117.44 2dl6 s THR 29 Ca 0.00 0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 2dl6 s THR 29 Cb 0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2dl6 s THR 29 CO 0.00 0.47 0.38 -0.22 -0.69 0.00 0.00 174.62 174.57 2dl6 s LEU 30 N -0.13 4.33 -0.20 4.42 2.96 -1.26 -0.78 118.68 128.02 2dl6 s LEU 30 Ca 0.17 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 54.76 2dl6 s LEU 30 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2dl6 s LEU 30 CO 0.05 0.15 0.05 -0.76 -1.32 0.00 0.00 176.35 174.53 2dl6 s LEU 31 N -0.04 3.60 0.02 -0.68 1.43 -0.43 -4.99 118.68 117.58 2dl6 s LEU 31 Ca 0.22 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2dl6 s LEU 31 Cb -0.15 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2dl6 s LEU 31 CO 0.09 0.09 -0.03 0.68 0.23 0.00 0.00 176.35 177.41 2dl6 s VAL 32 N 0.86 0.14 0.00 -1.59 -7.23 -1.26 -3.13 120.40 108.18 2dl6 s VAL 32 Ca 0.03 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2dl6 s VAL 32 Cb -0.14 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.51 2dl6 s VAL 32 CO 0.02 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 2dl6 n GLY 33 N 1.58 3.50 0.23 2.32 0.00 -1.26 -1.96 105.19 109.60 2dl6 n GLY 33 Ca -0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.33 -0.40 1.61 9.09 -1.98 -2.54 114.58 120.69 2dl6 h GLU 34 Ca 0.00 -0.10 0.07 0.00 0.05 0.00 0.00 59.36 59.38 2dl6 h GLU 34 Cb 0.00 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.05 2dl6 h GLU 34 CO 0.00 0.52 0.28 -0.44 0.05 0.00 0.00 179.01 179.41 2dl6 h ASP 35 N 0.30 0.21 -3.62 3.06 3.32 -1.77 -3.42 116.42 114.50 2dl6 h ASP 35 Ca 0.05 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.60 2dl6 h ASP 35 Cb 0.52 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2dl6 h ASP 35 CO 0.03 0.14 0.04 0.00 -1.72 0.00 0.00 179.24 177.73 2dl6 s ALA 36 N -5.25 3.40 1.25 3.45 0.00 -0.96 -4.71 121.76 118.94 2dl6 s ALA 36 Ca -0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 2dl6 s ALA 36 Cb 0.19 -2.68 0.31 0.00 0.00 0.00 0.00 23.12 20.93 2dl6 s ALA 36 CO 0.72 0.38 1.11 -1.25 0.00 0.00 0.00 175.76 176.73 2dl6 s PRO 37 N -2.80 -1.59 -0.17 0.00 0.04 -1.26 -4.75 135.00 124.48 2dl6 s PRO 37 Ca 0.51 -0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 2dl6 s PRO 37 Cb -0.11 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 2dl6 s PRO 37 CO 0.19 -3.93 0.18 1.03 0.04 0.00 0.00 177.00 174.51 2dl6 s ARG 38 N -5.51 4.06 0.28 4.56 0.52 -1.26 -2.65 118.95 118.95 2dl6 s ARG 38 Ca 0.72 -0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.80 2dl6 s ARG 38 Cb -0.08 -3.37 0.59 0.00 0.52 0.00 0.00 34.95 32.61 2dl6 s ARG 38 CO 0.56 0.38 1.60 -0.09 0.02 0.00 0.00 175.30 177.77 2dl6 h ARG 39 N 6.30 0.05 0.46 3.54 1.12 -1.52 0.59 114.38 124.93 2dl6 h ARG 39 Ca -0.44 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.42 2dl6 h ARG 39 Cb 1.17 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.09 2dl6 h ARG 39 CO 0.72 0.03 -0.51 0.00 -3.11 0.00 0.00 179.97 177.10 2dl6 h ALA 40 N 1.87 -1.14 -0.02 2.80 0.00 -1.84 -1.02 119.26 119.91 2dl6 h ALA 40 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2dl6 h ALA 40 Cb 0.97 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2dl6 h ALA 40 CO -0.83 -1.18 0.00 -0.85 0.00 0.00 0.00 179.25 176.39 2dl6 n GLU 41 N -5.56 1.07 0.06 0.00 -0.00 -0.25 -3.84 120.64 112.13 2dl6 n GLU 41 Ca -0.12 -0.07 0.01 0.00 -0.00 0.00 0.00 57.16 56.98 2dl6 n GLU 41 Cb 0.46 -1.22 0.34 0.00 -0.00 0.00 0.00 31.44 31.02 2dl6 n GLU 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2dl6 h LEU 42 N 0.11 0.35 0.39 -1.84 5.85 0.15 -0.82 115.31 119.50 2dl6 h LEU 42 Ca 0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2dl6 h LEU 42 Cb 0.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2dl6 h LEU 42 CO 0.01 0.47 -0.19 1.05 -0.34 0.00 0.00 178.44 179.44 2dl6 h GLU 43 N 0.35 -0.51 0.00 1.25 4.11 -1.74 0.14 114.58 118.18 2dl6 h GLU 43 Ca 0.07 0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2dl6 h GLU 43 Cb 0.36 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dl6 h GLU 43 CO 0.02 -0.20 -0.03 0.00 0.07 0.00 0.00 179.01 178.87 2dl6 h MET 44 N -0.93 0.00 0.18 1.06 -0.00 -1.82 -2.45 114.93 110.97 2dl6 h MET 44 Ca -0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.34 2dl6 h MET 44 Cb 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.16 2dl6 h MET 44 CO 0.09 0.03 -1.47 2.35 -0.00 0.00 0.00 176.91 177.90 2dl6 h TRP 45 N 0.00 0.71 0.00 -0.10 7.01 -1.03 -3.27 115.95 119.26 2dl6 h TRP 45 Ca -0.00 -0.52 0.00 0.00 2.11 0.00 0.00 58.89 60.48 2dl6 h TRP 45 Cb 0.18 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2dl6 h TRP 45 CO 0.00 1.57 0.00 1.28 -2.79 0.00 0.00 178.44 178.50 2dl6 n LEU 46 N -3.78 0.00 -0.08 0.65 4.77 0.46 -0.31 117.00 118.71 2dl6 n LEU 46 Ca -0.21 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.60 2dl6 n LEU 46 Cb 1.01 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.99 2dl6 n LEU 46 CO 0.51 0.00 -0.05 1.56 -1.33 0.00 0.00 177.39 178.09 2dl6 h GLN 47 N 0.00 0.00 0.00 3.23 4.20 -1.55 -3.31 115.11 117.69 2dl6 h GLN 47 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dl6 h GLN 47 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2dl6 h GLN 47 CO 0.00 0.91 -0.58 0.41 -0.67 0.00 0.00 178.83 178.90 2dl6 n GLY 48 N 1.54 -0.15 0.93 3.46 0.00 -1.18 -4.49 105.19 105.31 2dl6 n GLY 48 Ca -0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.29 0.64 0.97 1.61 8.25 0.58 -4.73 115.22 121.25 2dl6 n HIS 49 Ca 0.02 -1.64 0.06 0.00 -0.26 0.00 0.00 57.72 55.90 2dl6 n HIS 49 Cb 0.19 -0.34 0.34 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.07 0.49 0.01 -0.41 -0.04 -1.25 -3.22 135.00 129.51 2dl6 n PRO 50 Ca 0.26 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2dl6 n PRO 50 Cb 0.81 -1.37 0.15 0.00 -0.04 0.00 0.00 33.50 33.05 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 -0.87 0.01 -3.27 0.54 1.02 -1.26 -4.68 120.64 112.13 2dl6 n GLU 51 Ca 0.09 0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 57.42 2dl6 n GLU 51 Cb 0.04 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 29.97 2dl6 n GLU 51 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2dl6 s PHE 52 N -3.03 1.61 -0.14 -0.32 0.40 -1.20 -3.43 117.98 111.88 2dl6 s PHE 52 Ca 0.03 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.57 2dl6 s PHE 52 Cb 0.04 -2.14 0.06 0.00 0.51 0.00 0.00 43.02 41.48 2dl6 s PHE 52 CO 0.12 -0.89 0.32 0.00 0.70 0.00 0.00 175.22 175.46 2dl6 s ALA 53 N -2.66 -0.78 -0.17 5.36 0.00 -1.17 -4.91 121.76 117.43 2dl6 s ALA 53 Ca 0.54 1.22 -0.35 0.00 0.00 0.00 0.00 51.96 53.36 2dl6 s ALA 53 Cb -0.05 -0.83 -0.12 0.00 0.00 0.00 0.00 23.12 22.12 2dl6 s ALA 53 CO 0.34 -0.30 1.91 0.28 0.00 0.00 0.00 175.76 177.98 2dl6 n VAL 54 N 4.43 0.47 -1.72 0.00 0.31 -1.26 0.50 118.33 121.05 2dl6 n VAL 54 Ca -0.22 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 2dl6 n VAL 54 Cb 0.53 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2dl6 n VAL 54 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2dl6 n ASP 55 N 6.97 3.04 0.18 4.52 9.92 -0.71 -4.80 116.55 135.67 2dl6 n ASP 55 Ca 0.26 1.19 0.03 0.00 -0.53 0.00 0.00 54.79 55.74 2dl6 n ASP 55 Cb 0.26 -1.53 0.34 0.00 -0.64 0.00 0.00 41.12 39.54 2dl6 n ASP 55 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dl6 h PRO 56 N 2.55 0.00 -0.71 -0.24 0.13 -1.92 -3.03 132.00 128.78 2dl6 h PRO 56 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 2dl6 h PRO 56 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2dl6 h PRO 56 CO 0.62 0.41 0.47 0.07 -0.23 0.00 0.00 178.00 179.34 2dl6 h ARG 57 N 0.00 0.48 0.23 0.86 -0.00 -1.98 -1.59 114.38 112.38 2dl6 h ARG 57 Ca -0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 2dl6 h ARG 57 Cb 0.80 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 2dl6 h ARG 57 CO 0.05 0.32 -0.11 0.35 -0.00 0.00 0.00 179.97 180.58 2dl6 h PHE 58 N 0.50 -0.29 0.03 4.08 3.04 -1.91 -2.98 116.94 119.41 2dl6 h PHE 58 Ca 0.34 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.29 2dl6 h PHE 58 Cb 0.63 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.19 2dl6 h PHE 58 CO -0.00 0.10 -0.44 -0.07 -2.02 0.00 0.00 178.31 175.88 2dl6 h LEU 59 N -0.86 -1.34 -0.75 0.59 3.38 -1.54 -2.66 115.31 112.12 2dl6 h LEU 59 Ca -0.03 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2dl6 h LEU 59 Cb 0.51 0.51 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 2dl6 h LEU 59 CO 0.05 -0.44 -0.54 0.00 0.09 0.00 0.00 178.44 177.61 2dl6 h ALA 60 N -0.66 -0.51 -0.77 1.53 0.00 -1.43 -1.23 119.26 116.18 2dl6 h ALA 60 Ca 0.00 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2dl6 h ALA 60 Cb 0.60 1.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 2dl6 h ALA 60 CO -0.28 -0.94 -0.45 0.98 0.00 0.00 0.00 179.25 178.57 2dl6 n TYR 61 N -5.33 -0.32 0.01 0.00 9.36 -1.02 -0.90 117.16 118.96 2dl6 n TYR 61 Ca 0.01 0.97 -0.08 0.00 3.32 0.00 0.00 57.90 62.12 2dl6 n TYR 61 Cb 0.31 -0.57 -0.05 0.00 -0.63 0.00 0.00 39.34 38.40 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 -0.32 -0.78 2.98 2.86 -1.09 -2.33 114.93 116.26 2dl6 h MET 62 Ca 0.13 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.90 2dl6 h MET 62 Cb 0.33 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 31.94 2dl6 h MET 62 CO -0.73 -0.21 -0.34 -1.91 1.06 0.00 0.00 176.91 174.78 2dl6 n GLU 63 N -4.09 -0.22 -0.33 1.72 4.07 -0.08 0.56 120.64 122.27 2dl6 n GLU 63 Ca -0.04 1.19 0.02 0.00 -0.06 0.00 0.00 57.16 58.27 2dl6 n GLU 63 Cb 0.21 -1.77 0.07 0.00 -0.06 0.00 0.00 31.44 29.89 2dl6 n GLU 63 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2dl6 n ASP 64 N -5.11 -0.47 -0.29 4.31 2.03 -0.76 0.23 116.55 116.49 2dl6 n ASP 64 Ca 0.07 1.54 0.05 0.00 0.52 0.00 0.00 54.79 56.97 2dl6 n ASP 64 Cb 0.29 -0.40 0.11 0.00 -0.72 0.00 0.00 41.12 40.40 2dl6 n ASP 64 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dl6 n ARG 65 N -5.37 -0.07 -0.01 -0.67 1.74 0.19 0.11 116.66 112.58 2dl6 n ARG 65 Ca 0.11 1.26 -0.16 0.00 -0.77 0.00 0.00 57.85 58.29 2dl6 n ARG 65 Cb 0.39 -1.88 -0.12 0.00 -1.02 0.00 0.00 32.46 29.84 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 0.25 -0.73 5.56 -0.00 -0.32 -3.34 114.38 115.80 2dl6 h ARG 66 Ca 0.39 -0.28 0.09 0.00 -0.50 0.00 0.00 59.98 59.67 2dl6 h ARG 66 Cb 0.59 0.08 -0.10 0.00 0.00 0.00 0.00 29.97 30.54 2dl6 h ARG 66 CO -0.83 1.01 -0.36 1.63 0.00 0.00 0.00 179.97 181.42 2dl6 n LYS 67 N -4.39 -0.25 -1.55 0.04 5.02 0.12 -4.36 118.16 112.79 2dl6 n LYS 67 Ca -0.10 1.12 -0.34 0.00 -2.02 0.00 0.00 58.31 56.97 2dl6 n LYS 67 Cb 0.58 -1.65 0.08 0.00 -0.02 0.00 0.00 35.03 34.02 2dl6 n LYS 67 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2dl6 s GLN 68 N -5.53 2.38 0.32 1.97 -0.21 -0.85 -5.04 119.66 112.70 2dl6 s GLN 68 Ca -0.09 1.62 -0.19 0.00 0.02 0.00 0.00 55.36 56.72 2dl6 s GLN 68 Cb 0.12 -1.88 0.04 0.00 1.00 0.00 0.00 33.01 32.28 2dl6 s GLN 68 CO 0.49 -1.62 0.75 -1.59 -2.12 0.00 0.00 175.29 171.20 2dl6 s LYS 69 N -3.98 1.98 0.18 2.91 0.00 -1.26 -4.74 119.74 114.83 2dl6 s LYS 69 Ca 0.71 -1.18 0.01 0.00 0.00 0.00 0.00 55.97 55.51 2dl6 s LYS 69 Cb -0.26 0.61 -0.04 0.00 0.00 0.00 0.00 37.83 38.14 2dl6 s LYS 69 CO 0.44 -0.91 0.04 1.67 0.00 0.00 0.00 175.35 176.59 2dl6 s TRP 70 N -3.22 1.18 0.06 1.78 1.48 -1.26 -5.09 118.94 113.87 2dl6 s TRP 70 Ca 0.13 -1.14 -0.23 0.00 -1.06 0.00 0.00 56.10 53.80 2dl6 s TRP 70 Cb -0.06 -0.66 0.06 0.00 -1.16 0.00 0.00 33.47 31.65 2dl6 s TRP 70 CO 0.09 -0.35 0.56 -1.14 -4.06 0.00 0.00 176.95 172.04 2dl6 s GLN 71 N -3.99 1.10 0.51 3.25 0.74 -1.26 -5.04 119.66 114.96 2dl6 s GLN 71 Ca 0.28 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.47 2dl6 s GLN 71 Cb 0.07 0.50 -0.01 0.00 1.10 0.00 0.00 33.01 34.67 2dl6 s GLN 71 CO 0.06 -0.41 0.06 -0.98 -0.55 0.00 0.00 175.29 173.46 2dl6 s ARG 72 N -2.62 2.19 0.81 1.67 1.70 -1.26 -5.15 118.95 116.29 2dl6 s ARG 72 Ca -0.04 -2.33 -0.10 0.00 -0.47 0.00 0.00 55.73 52.79 2dl6 s ARG 72 Cb -0.00 -1.61 0.13 0.00 -0.57 0.00 0.00 34.95 32.89 2dl6 s ARG 72 CO -0.03 -0.38 1.14 0.00 -1.08 0.00 0.00 175.30 174.96 2dl6 s LYS 74 N -5.50 1.58 0.86 0.00 -2.85 -1.26 -5.10 119.74 107.47 2dl6 s LYS 74 Ca 0.67 -0.77 -0.10 0.00 -1.00 0.00 0.00 55.97 54.77 2dl6 s LYS 74 Cb -0.07 -2.20 0.17 0.00 -2.06 0.00 0.00 37.83 33.67 2dl6 s LYS 74 CO 0.48 -1.59 1.19 0.15 0.10 0.00 0.00 175.35 175.68 2dl6 s LYS 75 N -5.31 1.07 0.09 1.78 1.02 -1.26 -5.12 119.74 112.01 2dl6 s LYS 75 Ca 0.66 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 2dl6 s LYS 75 Cb -0.06 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2dl6 s LYS 75 CO 0.46 -2.02 0.07 1.21 -0.92 0.00 0.00 175.35 174.15 2dl6 s ASN 76 N -4.83 0.32 0.47 2.83 3.84 -1.26 -5.17 114.94 111.13 2dl6 s ASN 76 Ca 0.71 -0.99 0.06 0.00 0.21 0.00 0.00 52.86 52.84 2dl6 s ASN 76 Cb -0.04 0.28 0.02 0.00 -0.55 0.00 0.00 41.25 40.96 2dl6 s ASN 76 CO 0.49 -0.70 0.64 0.20 -2.79 0.00 0.00 177.10 174.95 2dl6 s ASN 77 N -2.96 5.52 0.82 -4.21 0.01 -1.26 -5.12 114.94 107.74 2dl6 s ASN 77 Ca 0.13 -0.28 -0.10 0.00 -0.71 0.00 0.00 52.86 51.90 2dl6 s ASN 77 Cb 0.07 -0.72 0.13 0.00 0.41 0.00 0.00 41.25 41.13 2dl6 s ASN 77 CO -0.05 -0.90 1.15 -0.94 -1.51 0.00 0.00 177.10 174.84 2dl6 s SER 78 N -4.38 4.05 0.00 -1.22 1.04 -1.26 -4.91 113.70 107.02 2dl6 s SER 78 Ca 0.56 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2dl6 s SER 78 Cb -0.10 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2dl6 s SER 78 CO 0.35 -2.11 0.00 0.61 0.98 0.00 0.00 173.24 173.07 2dl6 n GLY 79 N -3.27 -0.62 3.68 7.32 0.00 -1.26 -5.15 105.19 105.89 2dl6 n GLY 79 Ca 0.12 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 0.48 0.10 1.61 0.04 -1.26 -5.06 135.00 130.90 2dl6 s PRO 80 Ca 0.00 0.54 0.05 0.00 0.04 0.00 0.00 61.00 61.64 2dl6 s PRO 80 Cb 0.00 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2dl6 s PRO 80 CO 0.00 -2.71 -0.00 -1.12 0.04 0.00 0.00 177.00 173.21 2dl6 s SER 81 N -3.45 4.98 0.15 6.66 0.01 -1.26 -5.03 113.70 115.76 2dl6 s SER 81 Ca 0.65 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 57.52 2dl6 s SER 81 Cb -0.19 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 64.92 2dl6 s SER 81 CO 0.58 0.17 1.68 0.28 0.41 0.00 0.00 173.24 176.35 2dl6 h SER 82 N 3.38 -0.36 0.00 2.44 0.02 -2.08 -3.57 113.55 113.39 2dl6 h SER 82 Ca -0.48 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2dl6 h SER 82 Cb 1.17 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2dl6 h SER 82 CO 0.59 -0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.76