#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 2.82 -0.09 1.61 1.04 -1.26 -5.05 113.70 112.78 2dl6 s SER 2 Ca 0.00 -0.48 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 2dl6 s SER 2 Cb 0.00 -0.29 -0.26 0.00 0.10 0.00 0.00 66.02 65.57 2dl6 s SER 2 CO 0.00 0.26 0.90 0.28 0.98 0.00 0.00 173.24 175.66 2dl6 h SER 3 N 5.24 0.17 -5.96 7.02 0.02 -2.10 -3.48 113.55 114.47 2dl6 h SER 3 Ca -0.43 -0.90 -0.41 0.00 -0.84 0.00 0.00 61.79 59.21 2dl6 h SER 3 Cb 1.14 -0.06 0.09 0.00 0.14 0.00 0.00 62.40 63.71 2dl6 h SER 3 CO 0.46 1.06 -0.73 0.61 -1.14 0.00 0.00 176.83 177.08 2dl6 n GLY 4 N 1.39 -0.48 2.79 -3.77 0.00 -1.26 -4.99 105.19 98.87 2dl6 n GLY 4 Ca -0.11 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.60 1.09 0.22 1.61 0.01 -1.26 -5.03 113.70 106.74 2dl6 s SER 5 Ca 0.45 0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.72 2dl6 s SER 5 Cb -0.21 0.23 0.32 0.00 0.21 0.00 0.00 66.02 66.57 2dl6 s SER 5 CO 0.77 -0.28 1.75 -1.28 0.41 0.00 0.00 173.24 174.61 2dl6 h SER 6 N 8.36 0.31 0.00 2.44 0.87 -2.06 -3.47 113.55 119.99 2dl6 h SER 6 Ca -0.14 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2dl6 h SER 6 Cb 1.13 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2dl6 h SER 6 CO 0.19 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.27 2dl6 n GLY 7 N -1.30 -1.83 3.17 5.77 0.00 -1.26 -5.16 105.19 104.57 2dl6 n GLY 7 Ca 0.10 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.70 0.98 -0.28 1.61 8.01 -1.26 -5.10 118.70 120.96 2dl6 s GLU 8 Ca 0.00 -0.82 -0.29 0.00 0.01 0.00 0.00 54.97 53.87 2dl6 s GLU 8 Cb 0.00 -1.01 -0.02 0.00 -4.31 0.00 0.00 34.13 28.79 2dl6 s GLU 8 CO 0.00 0.25 1.65 -1.25 0.01 0.00 0.00 175.26 175.92 2dl6 s PRO 9 N -1.26 3.62 0.17 0.39 0.04 -1.26 -5.00 135.00 131.70 2dl6 s PRO 9 Ca 0.02 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.64 2dl6 s PRO 9 Cb -0.08 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2dl6 s PRO 9 CO 0.02 -1.51 -0.02 0.54 0.04 0.00 0.00 177.00 176.07 2dl6 s ASN 10 N 4.81 4.70 -0.10 6.66 4.22 -1.26 -5.13 114.94 128.84 2dl6 s ASN 10 Ca 0.73 -0.41 0.02 0.00 -2.14 0.00 0.00 52.86 51.07 2dl6 s ASN 10 Cb -0.23 -0.98 -0.01 0.00 1.28 0.00 0.00 41.25 41.31 2dl6 s ASN 10 CO 0.31 0.10 -0.17 -2.28 -2.04 0.00 0.00 177.10 173.02 2dl6 s HIS 11 N -1.67 2.69 -0.21 1.54 5.65 -1.26 -5.11 115.29 116.92 2dl6 s HIS 11 Ca 0.27 -0.69 -0.10 0.00 0.25 0.00 0.00 55.06 54.79 2dl6 s HIS 11 Cb -0.09 -1.76 -0.05 0.00 -1.18 0.00 0.00 32.58 29.50 2dl6 s HIS 11 CO 0.18 -0.21 0.13 -0.51 -0.65 0.00 0.00 174.74 173.67 2dl6 s LEU 12 N 0.16 4.14 0.64 8.88 1.43 -1.26 -4.96 118.68 127.70 2dl6 s LEU 12 Ca -0.09 0.18 0.34 0.00 -1.03 0.00 0.00 54.13 53.53 2dl6 s LEU 12 Cb -0.16 -2.08 1.92 0.00 0.03 0.00 0.00 46.19 45.90 2dl6 s LEU 12 CO 0.06 0.15 2.15 -2.24 0.23 0.00 0.00 176.35 176.70 2dl6 h ASP 13 N 6.87 0.00 -2.37 2.29 2.03 -2.05 -3.43 116.42 119.76 2dl6 h ASP 13 Ca -0.40 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.46 2dl6 h ASP 13 Cb 1.16 0.00 0.23 0.00 -0.83 0.00 0.00 39.33 39.89 2dl6 h ASP 13 CO 0.73 0.00 -0.92 1.33 -1.03 0.00 0.00 179.24 179.35 2dl6 n VAL 14 N -3.31 0.00 -2.56 4.15 0.24 -1.26 -5.01 118.33 110.57 2dl6 n VAL 14 Ca -0.01 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.34 61.74 2dl6 n VAL 14 Cb 0.25 -0.65 0.11 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.93 4.26 0.11 -1.34 1.11 -1.26 -5.02 116.67 112.60 2dl6 s ASP 15 Ca 0.57 -0.36 0.01 0.00 0.18 0.00 0.00 52.55 52.95 2dl6 s ASP 15 Cb -0.13 0.01 -0.21 0.00 1.07 0.00 0.00 42.92 43.66 2dl6 s ASP 15 CO 0.64 -1.92 1.23 -0.07 1.18 0.00 0.00 175.17 176.23 2dl6 h LEU 16 N -0.59 0.25 -1.07 1.23 3.38 -1.96 -3.17 115.31 113.37 2dl6 h LEU 16 Ca -0.36 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2dl6 h LEU 16 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2dl6 h LEU 16 CO 0.40 1.17 0.00 -1.84 0.09 0.00 0.00 178.44 178.26 2dl6 n GLU 17 N -3.49 1.51 -3.67 1.13 -0.00 -1.26 -3.85 120.64 111.00 2dl6 n GLU 17 Ca -0.05 -0.48 -0.36 0.00 -0.00 0.00 0.00 57.16 56.28 2dl6 n GLU 17 Cb 0.96 -1.44 -0.08 0.00 -0.00 0.00 0.00 31.44 30.88 2dl6 n GLU 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2dl6 s THR 18 N -1.48 5.38 0.62 3.84 2.01 -1.20 -5.01 115.64 119.80 2dl6 s THR 18 Ca 0.08 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 2dl6 s THR 18 Cb 0.06 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2dl6 s THR 18 CO 0.04 0.41 1.04 -0.13 -0.69 0.00 0.00 174.62 175.28 2dl6 s ARG 19 N 0.53 3.36 -0.21 4.92 1.81 -1.26 -1.65 118.95 126.45 2dl6 s ARG 19 Ca 0.10 1.00 -0.01 0.00 -1.72 0.00 0.00 55.73 55.10 2dl6 s ARG 19 Cb -0.12 -2.05 0.06 0.00 -0.45 0.00 0.00 34.95 32.40 2dl6 s ARG 19 CO 0.00 -0.76 0.00 0.42 -0.68 0.00 0.00 175.30 174.28 2dl6 s ILE 20 N -2.80 0.92 0.34 1.52 -1.09 -0.36 -4.81 121.20 114.92 2dl6 s ILE 20 Ca 0.59 -0.83 -0.28 0.00 -2.23 0.00 0.00 60.65 57.90 2dl6 s ILE 20 Cb -0.13 -1.34 -0.10 0.00 -1.58 0.00 0.00 42.46 39.31 2dl6 s ILE 20 CO 0.45 -0.18 1.21 -2.16 -1.23 0.00 0.00 174.94 173.03 2dl6 s PRO 21 N 1.67 4.33 -0.05 2.79 0.04 -1.26 -4.29 135.00 138.23 2dl6 s PRO 21 Ca -0.03 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 2dl6 s PRO 21 Cb -0.18 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.40 2dl6 s PRO 21 CO -0.08 -0.13 0.14 0.14 0.04 0.00 0.00 177.00 177.11 2dl6 s VAL 22 N -1.23 0.01 -0.20 -0.36 -7.23 -1.20 -3.24 120.40 106.94 2dl6 s VAL 22 Ca 0.50 -0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 60.58 2dl6 s VAL 22 Cb -0.35 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 2dl6 s VAL 22 CO 0.46 -0.02 0.01 -0.51 -0.31 0.00 0.00 175.10 174.72 2dl6 s ILE 23 N -0.02 4.02 0.69 -0.62 2.07 0.87 -1.76 121.20 126.45 2dl6 s ILE 23 Ca -0.01 -0.29 -0.15 0.00 -1.41 0.00 0.00 60.65 58.79 2dl6 s ILE 23 Cb -0.01 -2.82 0.02 0.00 0.13 0.00 0.00 42.46 39.77 2dl6 s ILE 23 CO 0.00 0.43 1.17 0.21 -1.91 0.00 0.00 174.94 174.83 2dl6 s ASN 24 N 0.99 4.62 -0.16 4.50 3.04 0.14 -1.53 114.94 126.54 2dl6 s ASN 24 Ca 0.02 2.21 0.10 0.00 0.04 0.00 0.00 52.86 55.23 2dl6 s ASN 24 Cb -0.14 -2.57 -0.17 0.00 -1.54 0.00 0.00 41.25 36.83 2dl6 s ASN 24 CO 0.02 -1.97 -0.01 0.29 -3.04 0.00 0.00 177.10 172.39 2dl6 n LYS 25 N -2.53 1.27 0.28 0.43 5.02 -1.23 -3.29 118.16 118.11 2dl6 n LYS 25 Ca 0.12 0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 2dl6 n LYS 25 Cb 0.51 -1.38 -0.08 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 0.39 0.01 -0.18 2.07 -1.94 -3.38 116.25 113.22 2dl6 h VAL 26 Ca -0.41 -0.32 -0.39 0.00 0.82 0.00 0.00 66.70 66.41 2dl6 h VAL 26 Cb 1.84 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 2dl6 h VAL 26 CO -0.00 0.04 -2.19 0.47 0.02 0.00 0.00 177.57 175.91 2dl6 n ASP 27 N -5.32 1.96 0.00 0.57 8.00 -1.26 -5.04 116.55 115.46 2dl6 n ASP 27 Ca -0.11 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2dl6 n ASP 27 Cb 0.32 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 1.59 1.36 3.95 0.44 0.00 -1.21 -5.06 105.19 106.26 2dl6 n GLY 28 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 2dl6 n GLY 28 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dl6 s THR 29 N -2.00 4.07 -0.04 2.61 -1.32 -1.26 -4.77 115.64 112.93 2dl6 s THR 29 Ca 0.00 -0.53 0.03 0.00 -1.21 0.00 0.00 61.69 59.99 2dl6 s THR 29 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 2dl6 s THR 29 CO 0.00 -0.34 -0.14 -0.22 -2.21 0.00 0.00 174.62 171.71 2dl6 s LEU 30 N -4.52 1.83 -0.17 9.08 2.96 -1.26 0.25 118.68 126.86 2dl6 s LEU 30 Ca 0.48 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2dl6 s LEU 30 Cb -0.10 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 2dl6 s LEU 30 CO 0.37 0.11 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.73 2dl6 s LEU 31 N 0.20 3.33 0.06 -0.68 1.43 -0.72 -4.99 118.68 117.31 2dl6 s LEU 31 Ca -0.06 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 2dl6 s LEU 31 Cb -0.12 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2dl6 s LEU 31 CO 0.02 0.16 0.13 0.68 0.23 0.00 0.00 176.35 177.56 2dl6 s VAL 32 N 0.45 0.15 0.00 -1.59 -7.23 -1.26 -3.27 120.40 107.65 2dl6 s VAL 32 Ca -0.02 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2dl6 s VAL 32 Cb -0.14 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2dl6 s VAL 32 CO 0.02 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 2dl6 n GLY 33 N 0.24 2.48 0.12 2.32 0.00 -1.26 -3.30 105.19 105.79 2dl6 n GLY 33 Ca -0.16 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 0.22 -0.97 1.61 -0.00 -1.98 -3.35 114.58 110.10 2dl6 h GLU 34 Ca 0.00 -0.37 0.31 0.00 -0.00 0.00 0.00 59.36 59.31 2dl6 h GLU 34 Cb 0.00 0.14 -0.16 0.00 -0.00 0.00 0.00 28.75 28.73 2dl6 h GLU 34 CO 0.00 1.18 0.43 -0.44 -0.00 0.00 0.00 179.01 180.18 2dl6 h ASP 35 N -0.42 0.26 -3.70 3.06 3.32 -1.95 -3.39 116.42 113.60 2dl6 h ASP 35 Ca -0.26 0.21 -0.50 0.00 0.02 0.00 0.00 57.03 56.50 2dl6 h ASP 35 Cb 1.65 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.42 2dl6 h ASP 35 CO 0.05 -0.22 0.42 0.00 -1.72 0.00 0.00 179.24 177.76 2dl6 s ALA 36 N -5.74 3.35 1.12 3.45 0.00 -1.25 -4.87 121.76 117.82 2dl6 s ALA 36 Ca -0.11 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 2dl6 s ALA 36 Cb 0.30 -3.29 0.25 0.00 0.00 0.00 0.00 23.12 20.38 2dl6 s ALA 36 CO 0.78 -0.02 1.10 -1.25 0.00 0.00 0.00 175.76 176.37 2dl6 s PRO 37 N -0.90 -0.59 0.40 0.00 0.04 -1.26 -4.64 135.00 128.04 2dl6 s PRO 37 Ca 0.45 0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.67 2dl6 s PRO 37 Cb -0.28 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2dl6 s PRO 37 CO 0.35 -3.34 0.58 1.03 0.04 0.00 0.00 177.00 175.66 2dl6 s ARG 38 N -5.22 3.10 0.05 4.56 0.52 -1.26 -1.22 118.95 119.47 2dl6 s ARG 38 Ca 0.69 -0.70 -0.26 0.00 -0.52 0.00 0.00 55.73 54.94 2dl6 s ARG 38 Cb -0.13 -2.67 -0.17 0.00 0.52 0.00 0.00 34.95 32.49 2dl6 s ARG 38 CO 0.57 -0.11 1.52 -0.09 0.02 0.00 0.00 175.30 177.20 2dl6 h ARG 39 N 0.62 -0.26 -0.77 3.54 9.65 -1.44 1.56 114.38 127.28 2dl6 h ARG 39 Ca -0.46 0.02 0.18 0.00 -1.10 0.00 0.00 59.98 58.61 2dl6 h ARG 39 Cb 1.25 0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 29.77 2dl6 h ARG 39 CO 0.56 -0.05 0.17 0.00 2.80 0.00 0.00 179.97 183.45 2dl6 h ALA 40 N 0.33 1.00 0.00 2.80 0.00 -1.82 0.70 119.26 122.27 2dl6 h ALA 40 Ca -0.03 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2dl6 h ALA 40 Cb 0.33 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2dl6 h ALA 40 CO 0.05 -0.37 -0.90 1.05 0.00 0.00 0.00 179.25 179.08 2dl6 h GLU 41 N 0.24 0.00 -1.15 0.00 4.11 -1.85 -3.36 114.58 112.58 2dl6 h GLU 41 Ca 0.45 0.00 0.43 0.00 0.07 0.00 0.00 59.36 60.30 2dl6 h GLU 41 Cb 0.80 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.90 2dl6 h GLU 41 CO -0.56 0.19 0.70 -0.11 0.07 0.00 0.00 179.01 179.30 2dl6 n LEU 42 N -2.91 0.25 -0.17 3.06 7.94 0.53 0.19 117.00 125.89 2dl6 n LEU 42 Ca -0.02 1.41 -0.08 0.00 -1.11 0.00 0.00 56.01 56.21 2dl6 n LEU 42 Cb 0.68 -0.69 0.01 0.00 0.53 0.00 0.00 43.42 43.94 2dl6 n LEU 42 CO 0.40 -1.56 0.96 1.05 -1.11 0.00 0.00 177.39 177.13 2dl6 h GLU 43 N 0.00 0.71 0.00 1.96 4.11 -1.70 0.12 114.58 119.79 2dl6 h GLU 43 Ca 0.82 -0.12 -0.08 0.00 0.07 0.00 0.00 59.36 60.04 2dl6 h GLU 43 Cb 2.44 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.56 2dl6 h GLU 43 CO -0.56 0.63 -0.40 0.00 0.07 0.00 0.00 179.01 178.75 2dl6 h MET 44 N 0.64 0.00 -0.01 1.06 -0.00 0.18 -3.24 114.93 113.56 2dl6 h MET 44 Ca 0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.79 2dl6 h MET 44 Cb 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.78 2dl6 h MET 44 CO -0.02 0.40 -0.30 2.35 -0.00 0.00 0.00 176.91 179.35 2dl6 h TRP 45 N 0.00 0.31 0.00 -0.10 7.01 -0.16 -3.15 115.95 119.86 2dl6 h TRP 45 Ca -0.00 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 60.83 2dl6 h TRP 45 Cb 1.21 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2dl6 h TRP 45 CO 0.00 0.96 0.00 1.28 -2.79 0.00 0.00 178.44 177.89 2dl6 n LEU 46 N -4.47 0.52 0.20 0.65 4.77 0.40 0.59 117.00 119.66 2dl6 n LEU 46 Ca -0.10 0.72 -0.14 0.00 -0.03 0.00 0.00 56.01 56.47 2dl6 n LEU 46 Cb 0.52 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 2dl6 n LEU 46 CO 0.40 -0.85 0.55 1.56 -1.33 0.00 0.00 177.39 177.72 2dl6 h GLN 47 N 0.00 -0.49 -0.01 3.23 4.20 -1.57 -2.78 115.11 117.70 2dl6 h GLN 47 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2dl6 h GLN 47 Cb 0.05 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2dl6 h GLN 47 CO 0.00 -0.18 -0.35 0.41 -0.67 0.00 0.00 178.83 178.03 2dl6 n GLY 48 N -0.51 -0.08 0.93 3.46 0.00 -1.03 -4.41 105.19 103.55 2dl6 n GLY 48 Ca -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.22 0.63 0.94 1.61 8.25 0.20 -4.73 115.22 121.90 2dl6 n HIS 49 Ca 0.06 -1.63 0.08 0.00 -0.26 0.00 0.00 57.72 55.96 2dl6 n HIS 49 Cb 0.32 -0.34 0.45 0.00 1.12 0.00 0.00 29.99 31.55 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 0.45 0.00 -0.41 -0.04 -1.05 -2.87 135.00 130.01 2dl6 n PRO 50 Ca 0.26 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2dl6 n PRO 50 Cb 0.81 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.04 0.20 -3.32 0.54 1.02 -1.26 -4.75 120.64 112.03 2dl6 n GLU 51 Ca 0.11 0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 57.18 2dl6 n GLU 51 Cb 0.06 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.65 1.59 -0.14 -0.32 0.40 -1.14 -3.47 117.98 112.26 2dl6 s PHE 52 Ca 0.14 -0.74 -0.06 0.00 -0.60 0.00 0.00 56.93 55.68 2dl6 s PHE 52 Cb 0.11 -2.12 0.06 0.00 0.51 0.00 0.00 43.02 41.58 2dl6 s PHE 52 CO 0.26 -0.87 0.32 0.00 0.70 0.00 0.00 175.22 175.63 2dl6 s ALA 53 N -2.68 -0.76 -0.19 5.36 0.00 -0.58 -4.91 121.76 118.00 2dl6 s ALA 53 Ca 0.52 1.18 -0.36 0.00 0.00 0.00 0.00 51.96 53.29 2dl6 s ALA 53 Cb -0.05 -0.94 -0.13 0.00 0.00 0.00 0.00 23.12 22.00 2dl6 s ALA 53 CO 0.33 -0.45 1.87 0.28 0.00 0.00 0.00 175.76 177.78 2dl6 n VAL 54 N 4.81 0.44 -1.69 0.00 0.31 -1.26 -0.09 118.33 120.85 2dl6 n VAL 54 Ca -0.16 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 2dl6 n VAL 54 Cb 0.52 -1.62 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 6.56 2.62 0.04 4.52 -0.08 -1.20 -4.83 116.55 124.19 2dl6 n ASP 55 Ca 0.26 1.20 -0.05 0.00 -1.51 0.00 0.00 54.79 54.69 2dl6 n ASP 55 Cb 0.23 -1.46 0.15 0.00 2.34 0.00 0.00 41.12 42.37 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 2.54 0.39 -0.13 -0.67 0.13 -1.95 -3.25 132.00 129.06 2dl6 h PRO 56 Ca -0.45 -0.21 0.05 0.00 -0.87 0.00 0.00 66.00 64.52 2dl6 h PRO 56 Cb 1.29 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 2dl6 h PRO 56 CO 0.63 0.77 -0.31 0.00 -0.23 0.00 0.00 178.00 178.86 2dl6 h ARG 57 N 0.32 -0.37 -0.27 0.86 2.47 -2.01 -2.18 114.38 113.21 2dl6 h ARG 57 Ca 0.02 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.83 2dl6 h ARG 57 Cb 0.92 0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 29.24 2dl6 h ARG 57 CO 0.08 -0.24 -0.29 0.35 0.56 0.00 0.00 179.97 180.42 2dl6 h PHE 58 N -0.38 -0.80 -0.67 3.04 3.57 -1.96 -1.68 116.94 118.06 2dl6 h PHE 58 Ca 0.10 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.78 2dl6 h PHE 58 Cb 0.53 0.39 -0.13 0.00 2.79 0.00 0.00 35.95 39.54 2dl6 h PHE 58 CO -0.39 -0.36 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.07 2dl6 h LEU 59 N -0.29 -0.66 -0.56 0.59 3.38 -1.51 -1.23 115.31 115.03 2dl6 h LEU 59 Ca 0.14 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.40 2dl6 h LEU 59 Cb 0.51 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 2dl6 h LEU 59 CO -0.43 -0.23 -0.44 0.00 0.09 0.00 0.00 178.44 177.43 2dl6 h ALA 60 N 1.63 -0.35 -0.94 1.53 0.00 -0.70 0.49 119.26 120.91 2dl6 h ALA 60 Ca 0.32 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.58 2dl6 h ALA 60 Cb 0.50 0.96 -0.17 0.00 0.00 0.00 0.00 17.79 19.07 2dl6 h ALA 60 CO -0.69 -0.84 0.04 -0.92 0.00 0.00 0.00 179.25 176.84 2dl6 h TYR 61 N -0.24 -0.01 -0.68 0.00 3.20 -1.09 0.52 116.97 118.67 2dl6 h TYR 61 Ca 0.17 0.07 0.14 0.00 3.14 0.00 0.00 58.73 62.25 2dl6 h TYR 61 Cb 0.56 0.16 -0.11 0.00 1.54 0.00 0.00 36.73 38.89 2dl6 h TYR 61 CO -0.70 -0.38 0.11 0.52 -1.64 0.00 0.00 178.16 176.06 2dl6 h MET 62 N 0.04 0.21 -0.72 1.82 2.86 -0.84 0.26 114.93 118.56 2dl6 h MET 62 Ca 0.57 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 58.34 2dl6 h MET 62 Cb 1.14 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 2dl6 h MET 62 CO -0.86 0.14 0.48 0.93 1.06 0.00 0.00 176.91 178.66 2dl6 h GLU 63 N 0.21 0.38 0.59 1.72 4.39 0.11 0.51 114.58 122.50 2dl6 h GLU 63 Ca 0.37 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2dl6 h GLU 63 Cb 0.61 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2dl6 h GLU 63 CO -0.51 0.25 -0.29 0.22 -1.16 0.00 0.00 179.01 177.53 2dl6 h ASP 64 N 0.39 -0.68 -0.02 1.42 3.58 -0.36 -3.03 116.42 117.73 2dl6 h ASP 64 Ca 0.35 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 2dl6 h ASP 64 Cb 0.81 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2dl6 h ASP 64 CO -0.10 -0.34 -0.02 0.08 -2.88 0.00 0.00 179.24 175.98 2dl6 h ARG 65 N -1.02 0.11 -0.61 0.28 0.11 -1.14 -2.57 114.38 109.53 2dl6 h ARG 65 Ca -0.08 -0.01 0.11 0.00 0.10 0.00 0.00 59.98 60.09 2dl6 h ARG 65 Cb 0.67 -0.02 -0.08 0.00 1.11 0.00 0.00 29.97 31.65 2dl6 h ARG 65 CO 0.13 0.14 0.18 -0.09 0.10 0.00 0.00 179.97 180.43 2dl6 h ARG 66 N 0.11 0.32 -0.24 0.08 2.43 -0.79 0.10 114.38 116.39 2dl6 h ARG 66 Ca 0.03 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2dl6 h ARG 66 Cb 0.11 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 2dl6 h ARG 66 CO 0.00 0.21 -0.54 0.87 -1.51 0.00 0.00 179.97 179.00 2dl6 h LYS 67 N 0.32 -0.49 0.43 0.20 1.57 -1.39 -2.79 116.57 114.42 2dl6 h LYS 67 Ca 0.32 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2dl6 h LYS 67 Cb 0.44 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2dl6 h LYS 67 CO -0.36 -0.32 -0.21 1.96 -0.57 0.00 0.00 179.45 179.94 2dl6 h GLN 68 N -0.50 -0.56 -4.12 3.15 7.50 -1.58 -3.48 115.11 115.51 2dl6 h GLN 68 Ca 0.05 0.04 -0.21 0.00 0.50 0.00 0.00 58.65 59.03 2dl6 h GLN 68 Cb 0.65 0.13 0.10 0.00 0.05 0.00 0.00 27.48 28.40 2dl6 h GLN 68 CO -0.50 -0.29 -0.45 1.17 -1.50 0.00 0.00 178.83 177.26 2dl6 n LYS 69 N -5.28 -4.20 -0.21 1.46 3.00 0.32 -4.87 118.16 108.39 2dl6 n LYS 69 Ca -0.11 0.51 0.09 0.00 -0.00 0.00 0.00 58.31 58.80 2dl6 n LYS 69 Cb 0.28 -4.53 0.17 0.00 0.00 0.00 0.00 35.03 30.96 2dl6 n LYS 69 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 2dl6 n TRP 70 N -3.17 0.38 -0.62 5.64 7.02 -1.26 -4.38 117.44 121.04 2dl6 n TRP 70 Ca -0.13 0.73 -0.31 0.00 -1.02 0.00 0.00 57.50 56.77 2dl6 n TRP 70 Cb 0.59 -0.95 0.19 0.00 -2.42 0.00 0.00 31.31 28.71 2dl6 n TRP 70 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2dl6 n GLN 71 N -4.78 -1.89 -3.02 -0.99 1.13 -1.26 -4.97 117.38 101.60 2dl6 n GLN 71 Ca 0.14 -0.53 -0.32 0.00 -1.94 0.00 0.00 57.00 54.35 2dl6 n GLN 71 Cb 0.46 -1.76 -0.05 0.00 0.11 0.00 0.00 30.24 29.00 2dl6 n GLN 71 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2dl6 s ARG 72 N -3.60 3.92 0.17 -1.09 1.04 -1.26 -5.08 118.95 113.04 2dl6 s ARG 72 Ca 0.57 0.59 -0.24 0.00 -1.04 0.00 0.00 55.73 55.62 2dl6 s ARG 72 Cb -0.13 -2.41 0.06 0.00 -2.04 0.00 0.00 34.95 30.42 2dl6 s ARG 72 CO 0.65 0.08 0.76 0.00 -0.04 0.00 0.00 175.30 176.74 2dl6 s LYS 74 N -3.62 4.52 0.32 0.00 -2.85 -1.26 -5.07 119.74 111.78 2dl6 s LYS 74 Ca 0.07 1.11 0.07 0.00 -1.00 0.00 0.00 55.97 56.22 2dl6 s LYS 74 Cb -0.03 -3.37 -0.06 0.00 -2.06 0.00 0.00 37.83 32.31 2dl6 s LYS 74 CO -0.03 0.26 -0.03 0.15 0.10 0.00 0.00 175.35 175.81 2dl6 s LYS 75 N -0.00 1.67 0.50 1.78 1.02 -1.26 -5.15 119.74 118.30 2dl6 s LYS 75 Ca 0.40 -1.88 -0.08 0.00 0.02 0.00 0.00 55.97 54.42 2dl6 s LYS 75 Cb -0.21 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 2dl6 s LYS 75 CO 0.24 -0.00 0.85 1.21 -0.92 0.00 0.00 175.35 176.72 2dl6 s ASN 76 N -3.52 6.33 0.18 2.83 2.47 -1.26 -5.09 114.94 116.89 2dl6 s ASN 76 Ca 0.32 1.12 0.04 0.00 0.42 0.00 0.00 52.86 54.76 2dl6 s ASN 76 Cb 0.05 -2.33 -0.03 0.00 -1.45 0.00 0.00 41.25 37.49 2dl6 s ASN 76 CO 0.14 -0.60 0.27 0.54 -3.72 0.00 0.00 177.10 173.73 2dl6 s ASN 77 N -3.85 6.17 0.39 -4.21 2.20 -1.26 -5.13 114.94 109.25 2dl6 s ASN 77 Ca 0.51 0.08 0.08 0.00 -0.94 0.00 0.00 52.86 52.58 2dl6 s ASN 77 Cb -0.10 -1.80 -0.05 0.00 -2.00 0.00 0.00 41.25 37.29 2dl6 s ASN 77 CO 0.43 0.02 0.13 -0.44 -2.94 0.00 0.00 177.10 174.30 2dl6 s SER 78 N -3.43 4.39 -0.31 3.54 0.01 -1.26 -5.13 113.70 111.52 2dl6 s SER 78 Ca 0.34 -1.02 0.04 0.00 1.31 0.00 0.00 55.95 56.61 2dl6 s SER 78 Cb -0.10 -0.53 0.17 0.00 0.21 0.00 0.00 66.02 65.77 2dl6 s SER 78 CO 0.28 -0.44 0.48 -0.83 0.41 0.00 0.00 173.24 173.14 2dl6 s GLY 79 N -3.85 -0.80 0.00 3.44 0.00 -1.26 -4.99 107.32 99.86 2dl6 s GLY 79 Ca 0.39 0.37 0.11 0.00 0.00 0.00 0.00 44.72 45.59 2dl6 s GLY 79 CO 0.22 3.27 1.09 -1.55 0.00 0.00 0.00 173.10 176.13 2dl6 n PRO 80 N 5.20 0.49 -4.75 2.90 -0.04 -1.26 -4.62 135.00 132.92 2dl6 n PRO 80 Ca 0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 2dl6 n PRO 80 Cb 0.51 -1.35 -0.16 0.00 -0.04 0.00 0.00 33.50 32.46 2dl6 n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dl6 s SER 81 N -1.86 2.05 -0.20 3.54 0.15 -1.26 -5.13 113.70 111.00 2dl6 s SER 81 Ca 0.16 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 2dl6 s SER 81 Cb 0.08 -0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2dl6 s SER 81 CO 0.13 0.10 -0.08 -0.55 1.20 0.00 0.00 173.24 174.04 2dl6 s SER 82 N 0.31 4.10 0.00 5.45 0.15 -1.26 -5.22 113.70 117.23 2dl6 s SER 82 Ca -0.09 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2dl6 s SER 82 Cb -0.14 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2dl6 s SER 82 CO 0.03 0.02 0.13 0.61 1.20 0.00 0.00 173.24 175.23