#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 5.24 0.42 1.61 1.04 -1.26 -5.13 113.70 115.62 2dl6 s SER 2 Ca 0.00 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2dl6 s SER 2 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 2dl6 s SER 2 CO 0.00 -1.17 0.05 -0.44 0.98 0.00 0.00 173.24 172.66 2dl6 s SER 3 N -4.44 3.34 0.00 7.02 0.01 -1.26 -4.93 113.70 113.45 2dl6 s SER 3 Ca 0.58 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2dl6 s SER 3 Cb -0.10 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2dl6 s SER 3 CO 0.39 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2dl6 n GLY 4 N -0.97 4.29 3.21 3.44 0.00 -1.26 -5.08 105.19 108.82 2dl6 n GLY 4 Ca -0.09 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.01 5.19 -0.36 1.61 1.04 -1.26 -5.07 113.70 114.84 2dl6 s SER 5 Ca 0.00 -1.41 -0.17 0.00 0.48 0.00 0.00 55.95 54.86 2dl6 s SER 5 Cb 0.00 -1.82 -0.00 0.00 0.10 0.00 0.00 66.02 64.30 2dl6 s SER 5 CO 0.00 -0.37 0.43 -0.55 0.98 0.00 0.00 173.24 173.73 2dl6 s SER 6 N 1.52 6.23 -1.26 7.02 0.15 -1.26 -5.00 113.70 121.10 2dl6 s SER 6 Ca -0.00 -0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.26 2dl6 s SER 6 Cb -0.21 -2.23 0.11 0.00 -1.71 0.00 0.00 66.02 61.98 2dl6 s SER 6 CO -0.00 -0.44 1.62 -0.83 1.20 0.00 0.00 173.24 174.80 2dl6 s GLY 7 N 1.76 1.93 -0.02 9.45 0.00 -1.26 -4.94 107.32 114.25 2dl6 s GLY 7 Ca 0.15 -3.09 0.03 0.00 0.00 0.00 0.00 44.72 41.81 2dl6 s GLY 7 CO 0.13 2.47 -0.11 -0.54 0.00 0.00 0.00 173.10 175.05 2dl6 s GLU 8 N 3.22 1.07 0.88 2.90 2.02 -1.26 -5.15 118.70 122.38 2dl6 s GLU 8 Ca 0.50 -0.40 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 2dl6 s GLU 8 Cb 0.01 -1.00 0.12 0.00 0.10 0.00 0.00 34.13 33.36 2dl6 s GLU 8 CO 0.05 0.19 1.09 -1.25 0.02 0.00 0.00 175.26 175.36 2dl6 s PRO 9 N -0.03 1.41 0.27 0.39 0.04 -1.26 -4.86 135.00 130.95 2dl6 s PRO 9 Ca 0.00 0.87 0.11 0.00 0.04 0.00 0.00 61.00 62.02 2dl6 s PRO 9 Cb -0.07 -1.82 0.87 0.00 0.04 0.00 0.00 34.50 33.51 2dl6 s PRO 9 CO 0.00 -2.15 1.20 0.09 0.04 0.00 0.00 177.00 176.18 2dl6 n ASN 10 N -3.83 0.14 -4.73 6.66 3.02 -1.26 -4.37 115.26 110.90 2dl6 n ASN 10 Ca 0.07 1.27 -0.42 0.00 -0.03 0.00 0.00 54.58 55.48 2dl6 n ASN 10 Cb 0.55 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2dl6 n ASN 10 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2dl6 n HIS 11 N -4.84 2.55 -0.27 3.10 -0.00 -1.26 -4.87 115.22 109.62 2dl6 n HIS 11 Ca 0.25 0.51 0.02 0.00 0.46 0.00 0.00 57.72 58.96 2dl6 n HIS 11 Cb 0.84 -2.46 0.09 0.00 -0.12 0.00 0.00 29.99 28.35 2dl6 n HIS 11 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 2dl6 h LEU 12 N 2.72 -0.73 -0.38 0.27 -0.00 -1.99 -3.45 115.31 111.75 2dl6 h LEU 12 Ca -0.48 0.23 -0.43 0.00 -0.00 0.00 0.00 57.88 57.20 2dl6 h LEU 12 Cb 1.27 0.48 0.02 0.00 -0.00 0.00 0.00 40.66 42.43 2dl6 h LEU 12 CO 0.63 -0.26 -0.69 0.47 -0.00 0.00 0.00 178.44 178.60 2dl6 n ASP 13 N -5.51 -5.33 -3.99 0.17 9.92 -1.26 -4.95 116.55 105.60 2dl6 n ASP 13 Ca 0.11 -0.58 -0.29 0.00 -0.53 0.00 0.00 54.79 53.50 2dl6 n ASP 13 Cb 0.40 -4.26 0.25 0.00 -0.64 0.00 0.00 41.12 36.87 2dl6 n ASP 13 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2dl6 s VAL 14 N -3.23 1.63 0.15 2.53 -7.23 -1.26 -5.01 120.40 107.98 2dl6 s VAL 14 Ca 0.55 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.59 2dl6 s VAL 14 Cb -0.26 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 2dl6 s VAL 14 CO 0.68 0.00 0.53 -1.81 -0.31 0.00 0.00 175.10 174.19 2dl6 s ASP 15 N -3.22 6.77 0.44 4.85 1.01 -1.26 -4.96 116.67 120.30 2dl6 s ASP 15 Ca 0.69 1.02 0.25 0.00 0.71 0.00 0.00 52.55 55.21 2dl6 s ASP 15 Cb -0.16 -2.27 1.26 0.00 1.01 0.00 0.00 42.92 42.76 2dl6 s ASP 15 CO 0.59 0.08 1.76 -0.07 0.21 0.00 0.00 175.17 177.75 2dl6 h LEU 16 N 3.41 0.30 -0.30 1.23 3.38 -1.96 0.36 115.31 121.73 2dl6 h LEU 16 Ca -0.48 0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.38 2dl6 h LEU 16 Cb 1.19 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dl6 h LEU 16 CO 0.66 0.03 -0.50 -0.33 0.09 0.00 0.00 178.44 178.40 2dl6 h GLU 17 N 0.25 0.86 -6.04 1.13 5.08 -1.98 -3.32 114.58 110.56 2dl6 h GLU 17 Ca 0.61 -0.53 -0.66 0.00 -1.00 0.00 0.00 59.36 57.78 2dl6 h GLU 17 Cb 1.83 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2dl6 h GLU 17 CO -0.23 1.17 1.34 2.41 -1.00 0.00 0.00 179.01 182.70 2dl6 n THR 18 N -4.05 0.28 -0.90 1.13 -1.04 0.13 -4.82 114.28 105.00 2dl6 n THR 18 Ca -0.04 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 2dl6 n THR 18 Cb 0.60 -1.78 0.23 0.00 -1.82 0.00 0.00 70.33 67.57 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 5.72 -1.00 -0.25 -2.82 1.81 -1.26 -2.91 118.95 118.24 2dl6 s ARG 19 Ca 1.05 0.29 -0.04 0.00 -1.72 0.00 0.00 55.73 55.31 2dl6 s ARG 19 Cb -0.78 -1.59 0.08 0.00 -0.45 0.00 0.00 34.95 32.22 2dl6 s ARG 19 CO 0.49 -3.64 0.11 0.42 -0.68 0.00 0.00 175.30 172.00 2dl6 s ILE 20 N -2.78 -0.03 0.38 1.52 -1.09 -1.01 -4.72 121.20 113.48 2dl6 s ILE 20 Ca 0.68 -0.56 -0.26 0.00 -2.23 0.00 0.00 60.65 58.28 2dl6 s ILE 20 Cb -0.16 -0.86 -0.09 0.00 -1.58 0.00 0.00 42.46 39.77 2dl6 s ILE 20 CO 0.58 -0.56 1.20 -2.16 -1.23 0.00 0.00 174.94 172.77 2dl6 s PRO 21 N 2.09 4.12 -0.06 2.79 0.04 -1.26 -4.56 135.00 138.17 2dl6 s PRO 21 Ca 0.06 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 2dl6 s PRO 21 Cb -0.16 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.63 2dl6 s PRO 21 CO -0.26 -0.29 0.15 0.14 0.04 0.00 0.00 177.00 176.78 2dl6 s VAL 22 N -1.34 -0.01 -0.33 -0.36 -7.23 -1.18 -2.84 120.40 107.09 2dl6 s VAL 22 Ca 0.55 0.05 -0.12 0.00 -1.81 0.00 0.00 61.98 60.66 2dl6 s VAL 22 Cb -0.33 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.38 2dl6 s VAL 22 CO 0.42 0.02 0.21 -0.51 -0.31 0.00 0.00 175.10 174.93 2dl6 s ILE 23 N 0.41 5.02 0.81 -0.62 2.07 0.18 -1.35 121.20 127.71 2dl6 s ILE 23 Ca -0.03 -0.33 -0.14 0.00 -1.41 0.00 0.00 60.65 58.74 2dl6 s ILE 23 Cb -0.04 -3.59 0.03 0.00 0.13 0.00 0.00 42.46 38.99 2dl6 s ILE 23 CO -0.02 -0.00 0.80 -3.20 -1.91 0.00 0.00 174.94 170.61 2dl6 n ASN 24 N 5.06 -0.38 -0.07 4.50 4.05 0.17 -2.93 115.26 125.66 2dl6 n ASN 24 Ca -0.13 0.54 -0.06 0.00 0.45 0.00 0.00 54.58 55.38 2dl6 n ASN 24 Cb 0.49 -1.34 -0.11 0.00 1.23 0.00 0.00 39.78 40.04 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 -2.03 1.58 0.21 1.20 5.02 -1.23 -3.36 118.16 119.54 2dl6 n LYS 25 Ca 0.11 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 2dl6 n LYS 25 Cb 0.51 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.35 0.01 -0.18 2.07 -1.93 -3.40 116.25 113.18 2dl6 h VAL 26 Ca -0.36 -0.58 -0.40 0.00 0.82 0.00 0.00 66.70 66.18 2dl6 h VAL 26 Cb 1.79 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2dl6 h VAL 26 CO 0.02 0.07 -2.34 0.47 0.02 0.00 0.00 177.57 175.80 2dl6 n ASP 27 N -5.19 1.98 0.00 0.57 9.92 -1.26 -5.06 116.55 117.51 2dl6 n ASP 27 Ca -0.09 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2dl6 n ASP 27 Cb 0.29 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dl6 n GLY 28 N 1.76 0.77 3.16 0.44 0.00 -1.21 -5.05 105.19 105.06 2dl6 n GLY 28 Ca -0.47 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.54 1.73 -0.34 2.61 2.01 -1.26 -4.82 115.64 114.04 2dl6 s THR 29 Ca 0.00 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 2dl6 s THR 29 Cb 0.00 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2dl6 s THR 29 CO 0.00 0.49 0.39 -0.22 -0.69 0.00 0.00 174.62 174.59 2dl6 s LEU 30 N 0.35 4.41 0.05 4.42 1.98 -1.26 -0.65 118.68 127.97 2dl6 s LEU 30 Ca -0.15 -0.18 -0.23 0.00 -2.89 0.00 0.00 54.13 50.69 2dl6 s LEU 30 Cb -0.16 -2.39 -0.06 0.00 0.66 0.00 0.00 46.19 44.24 2dl6 s LEU 30 CO 0.06 -0.36 0.70 -0.76 -1.89 0.00 0.00 176.35 174.10 2dl6 s LEU 31 N 2.09 4.47 0.11 -0.68 1.43 -0.46 -4.91 118.68 120.72 2dl6 s LEU 31 Ca 0.13 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 2dl6 s LEU 31 Cb -0.16 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2dl6 s LEU 31 CO 0.12 0.09 -0.08 0.68 0.23 0.00 0.00 176.35 177.39 2dl6 s VAL 32 N -0.34 0.84 0.00 -1.59 -7.23 -1.26 -3.10 120.40 107.72 2dl6 s VAL 32 Ca 0.35 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2dl6 s VAL 32 Cb -0.20 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2dl6 s VAL 32 CO 0.21 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 2dl6 n GLY 33 N 0.02 2.12 0.26 2.32 0.00 -1.26 -2.00 105.19 106.64 2dl6 n GLY 33 Ca -0.12 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 0.30 -1.43 1.61 -0.00 -1.98 0.16 114.58 113.25 2dl6 h GLU 34 Ca 0.00 -0.02 0.48 0.00 -0.00 0.00 0.00 59.36 59.82 2dl6 h GLU 34 Cb 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 28.75 28.55 2dl6 h GLU 34 CO 0.00 0.20 0.93 -0.44 -0.00 0.00 0.00 179.01 179.70 2dl6 h ASP 35 N 0.31 0.19 -2.95 3.06 5.19 -1.80 -3.38 116.42 117.04 2dl6 h ASP 35 Ca 0.38 0.14 -0.61 0.00 -0.62 0.00 0.00 57.03 56.32 2dl6 h ASP 35 Cb 0.61 0.14 -0.12 0.00 0.18 0.00 0.00 39.33 40.14 2dl6 h ASP 35 CO -0.45 -0.23 -0.67 0.00 -3.12 0.00 0.00 179.24 174.78 2dl6 s ALA 36 N -5.23 3.17 1.10 3.45 0.00 0.04 -4.80 121.76 119.49 2dl6 s ALA 36 Ca -0.07 -1.35 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 2dl6 s ALA 36 Cb 0.31 -0.97 0.12 0.00 0.00 0.00 0.00 23.12 22.58 2dl6 s ALA 36 CO 0.83 0.50 0.45 -0.35 0.00 0.00 0.00 175.76 177.19 2dl6 n PRO 37 N -0.02 -1.89 -4.55 0.00 -0.04 -1.26 -4.72 135.00 122.52 2dl6 n PRO 37 Ca -0.10 -0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 62.39 2dl6 n PRO 37 Cb 0.55 -0.67 -0.11 0.00 -0.04 0.00 0.00 33.50 33.23 2dl6 n PRO 37 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2dl6 s ARG 38 N -4.01 1.82 0.25 0.54 1.70 -1.26 -2.39 118.95 115.60 2dl6 s ARG 38 Ca 0.29 -1.97 -0.08 0.00 -0.47 0.00 0.00 55.73 53.50 2dl6 s ARG 38 Cb -0.03 -1.62 0.42 0.00 -0.57 0.00 0.00 34.95 33.16 2dl6 s ARG 38 CO 0.22 0.08 1.61 -0.09 -1.08 0.00 0.00 175.30 176.04 2dl6 h ARG 39 N 1.99 0.05 0.08 3.89 9.65 -1.63 1.10 114.38 129.51 2dl6 h ARG 39 Ca -0.42 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2dl6 h ARG 39 Cb 1.25 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.80 2dl6 h ARG 39 CO 0.73 0.03 -0.20 0.00 2.80 0.00 0.00 179.97 183.33 2dl6 h ALA 40 N 1.77 -0.76 -0.07 2.80 0.00 -1.87 -1.44 119.26 119.68 2dl6 h ALA 40 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dl6 h ALA 40 Cb 0.71 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dl6 h ALA 40 CO -0.75 -0.80 0.00 -0.85 0.00 0.00 0.00 179.25 176.85 2dl6 n GLU 41 N -3.55 1.38 -0.07 0.00 0.28 -0.81 -3.90 120.64 113.98 2dl6 n GLU 41 Ca -0.03 -0.34 -0.09 0.00 -0.16 0.00 0.00 57.16 56.53 2dl6 n GLU 41 Cb 0.16 -1.47 0.06 0.00 1.43 0.00 0.00 31.44 31.61 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 0.45 0.78 0.31 -1.84 5.85 0.24 -2.27 115.31 118.84 2dl6 h LEU 42 Ca 0.00 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2dl6 h LEU 42 Cb 0.55 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2dl6 h LEU 42 CO 0.04 1.05 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.97 2dl6 h GLU 43 N 0.62 -0.41 -1.10 1.25 4.57 -1.71 -0.01 114.58 117.79 2dl6 h GLU 43 Ca 0.06 0.03 0.31 0.00 -1.18 0.00 0.00 59.36 58.58 2dl6 h GLU 43 Cb 0.88 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.50 2dl6 h GLU 43 CO 0.08 -0.27 0.77 0.00 -1.18 0.00 0.00 179.01 178.40 2dl6 h MET 44 N -0.77 0.13 0.11 1.92 -0.00 -1.83 0.20 114.93 114.69 2dl6 h MET 44 Ca -0.04 -0.01 -0.24 0.00 -0.00 0.00 0.00 59.70 59.40 2dl6 h MET 44 Cb 0.32 -0.03 0.02 0.00 -0.00 0.00 0.00 31.60 31.92 2dl6 h MET 44 CO 0.07 0.09 -1.02 2.35 -0.00 0.00 0.00 176.91 178.39 2dl6 h TRP 45 N 0.13 0.82 0.00 -0.10 7.01 -1.42 -3.16 115.95 119.24 2dl6 h TRP 45 Ca 0.56 -0.52 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2dl6 h TRP 45 Cb 1.95 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.95 2dl6 h TRP 45 CO -0.00 1.38 0.00 1.28 -2.79 0.00 0.00 178.44 178.30 2dl6 n LEU 46 N -3.96 0.00 -0.08 0.65 4.77 0.59 -0.16 117.00 118.81 2dl6 n LEU 46 Ca -0.13 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.67 2dl6 n LEU 46 Cb 0.89 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.86 2dl6 n LEU 46 CO 0.54 0.00 -0.03 1.56 -1.33 0.00 0.00 177.39 178.13 2dl6 h GLN 47 N 0.00 0.00 -0.00 3.23 1.08 -1.20 -3.32 115.11 114.90 2dl6 h GLN 47 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2dl6 h GLN 47 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2dl6 h GLN 47 CO 0.00 1.00 -0.43 0.41 -0.95 0.00 0.00 178.83 178.86 2dl6 n GLY 48 N 1.53 0.03 1.03 3.46 0.00 -1.17 -4.53 105.19 105.54 2dl6 n GLY 48 Ca -0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.08 0.82 0.98 1.61 8.25 0.78 -4.74 115.22 121.84 2dl6 n HIS 49 Ca 0.02 -1.69 0.06 0.00 -0.26 0.00 0.00 57.72 55.85 2dl6 n HIS 49 Cb 0.16 -0.35 0.36 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.04 0.49 0.00 -0.41 -0.04 -1.25 -3.26 135.00 129.48 2dl6 n PRO 50 Ca 0.28 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.76 2dl6 n PRO 50 Cb 0.82 -1.39 0.10 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.01 -3.43 0.54 1.02 -1.26 -4.66 120.64 111.97 2dl6 n GLU 51 Ca 0.09 0.40 -0.23 0.00 -0.02 0.00 0.00 57.16 57.40 2dl6 n GLU 51 Cb 0.04 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.93 1.55 -0.18 -0.32 0.40 -1.20 -3.55 117.98 111.75 2dl6 s PHE 52 Ca 0.02 -0.77 -0.08 0.00 -0.60 0.00 0.00 56.93 55.51 2dl6 s PHE 52 Cb 0.03 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.55 2dl6 s PHE 52 CO 0.08 -0.82 0.40 0.00 0.70 0.00 0.00 175.22 175.58 2dl6 s ALA 53 N -2.71 -1.05 -0.23 5.36 0.00 -1.15 -4.92 121.76 117.06 2dl6 s ALA 53 Ca 0.49 1.48 -0.35 0.00 0.00 0.00 0.00 51.96 53.57 2dl6 s ALA 53 Cb -0.04 -1.08 -0.12 0.00 0.00 0.00 0.00 23.12 21.88 2dl6 s ALA 53 CO 0.31 -0.47 1.99 0.28 0.00 0.00 0.00 175.76 177.87 2dl6 n VAL 54 N 4.75 0.37 -1.65 0.00 0.31 -1.26 0.51 118.33 121.35 2dl6 n VAL 54 Ca -0.17 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 2dl6 n VAL 54 Cb 0.53 -1.70 -0.00 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 7.90 1.94 0.28 4.52 2.03 -1.13 -4.81 116.55 127.27 2dl6 n ASP 55 Ca 0.31 1.14 0.17 0.00 0.52 0.00 0.00 54.79 56.92 2dl6 n ASP 55 Cb 0.25 -1.40 0.70 0.00 -0.72 0.00 0.00 41.12 39.94 2dl6 n ASP 55 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dl6 h PRO 56 N 2.06 0.00 0.00 -0.67 0.13 -1.94 -2.88 132.00 128.70 2dl6 h PRO 56 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2dl6 h PRO 56 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dl6 h PRO 56 CO 0.60 0.02 -0.15 0.07 -0.23 0.00 0.00 178.00 178.32 2dl6 h ARG 57 N 0.00 0.00 0.01 0.86 0.11 -1.99 -2.53 114.38 110.83 2dl6 h ARG 57 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dl6 h ARG 57 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2dl6 h ARG 57 CO 0.00 0.15 -0.00 0.35 0.10 0.00 0.00 179.97 180.56 2dl6 h PHE 58 N 0.00 -0.01 -0.58 4.08 3.57 -1.88 -3.35 116.94 118.76 2dl6 h PHE 58 Ca -0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2dl6 h PHE 58 Cb 0.29 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 2dl6 h PHE 58 CO 0.00 0.77 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.71 2dl6 h LEU 59 N -0.96 -0.40 -0.99 0.59 3.38 -1.60 -1.58 115.31 113.76 2dl6 h LEU 59 Ca -0.00 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2dl6 h LEU 59 Cb 0.79 0.31 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 2dl6 h LEU 59 CO 0.00 -0.15 -0.36 0.00 0.09 0.00 0.00 178.44 178.02 2dl6 n ALA 60 N -2.87 -0.06 -0.30 1.53 0.00 -0.97 -0.92 120.51 116.92 2dl6 n ALA 60 Ca 0.07 1.00 -0.07 0.00 0.00 0.00 0.00 53.44 54.44 2dl6 n ALA 60 Cb 0.32 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 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 -5.48 -0.28 -0.09 0.00 9.36 -0.59 -0.45 117.16 119.63 2dl6 n TYR 61 Ca 0.11 0.89 -0.09 0.00 3.32 0.00 0.00 57.90 62.13 2dl6 n TYR 61 Cb 0.41 -0.58 -0.07 0.00 -0.63 0.00 0.00 39.34 38.47 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 -0.26 -1.13 2.98 2.86 -1.16 0.33 114.93 118.55 2dl6 h MET 62 Ca 0.13 0.02 0.32 0.00 -2.06 0.00 0.00 59.70 58.11 2dl6 h MET 62 Cb 0.31 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 2dl6 h MET 62 CO -0.68 -0.17 0.79 1.49 1.06 0.00 0.00 176.91 179.40 2dl6 h GLU 63 N -0.27 0.09 0.48 1.72 4.81 -0.78 0.27 114.58 120.90 2dl6 h GLU 63 Ca 0.05 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2dl6 h GLU 63 Cb 0.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2dl6 h GLU 63 CO -0.40 0.06 -0.23 0.22 -0.73 0.00 0.00 179.01 177.93 2dl6 h ASP 64 N 0.09 -0.54 -0.30 1.04 1.82 0.13 -3.14 116.42 115.51 2dl6 h ASP 64 Ca 0.56 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 2dl6 h ASP 64 Cb 2.05 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 42.19 2dl6 h ASP 64 CO -0.08 -0.17 0.20 0.08 -1.61 0.00 0.00 179.24 177.66 2dl6 h ARG 65 N -0.98 0.40 -1.02 0.28 0.11 0.13 -2.16 114.38 111.13 2dl6 h ARG 65 Ca -0.07 -0.02 0.25 0.00 0.10 0.00 0.00 59.98 60.24 2dl6 h ARG 65 Cb 0.59 -0.09 -0.11 0.00 1.11 0.00 0.00 29.97 31.47 2dl6 h ARG 65 CO 0.11 0.27 0.63 -0.09 0.10 0.00 0.00 179.97 180.99 2dl6 h ARG 66 N 0.41 0.49 -1.12 0.08 9.65 -0.96 -0.08 114.38 122.84 2dl6 h ARG 66 Ca 0.11 -0.03 0.43 0.00 -1.10 0.00 0.00 59.98 59.39 2dl6 h ARG 66 Cb -0.04 -0.11 -0.16 0.00 -1.39 0.00 0.00 29.97 28.27 2dl6 h ARG 66 CO -0.02 0.32 0.66 1.63 2.80 0.00 0.00 179.97 185.36 2dl6 n LYS 67 N -4.75 -0.05 -1.55 0.20 4.01 -0.81 -4.46 118.16 110.75 2dl6 n LYS 67 Ca 0.26 1.30 -0.36 0.00 -0.51 0.00 0.00 58.31 59.00 2dl6 n LYS 67 Cb 0.80 -2.42 0.08 0.00 -0.51 0.00 0.00 35.03 32.98 2dl6 n LYS 67 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dl6 n GLN 68 N -5.00 0.82 -3.57 1.97 10.64 -0.05 -5.03 117.38 117.16 2dl6 n GLN 68 Ca 0.38 0.34 -0.15 0.00 -1.83 0.00 0.00 57.00 55.73 2dl6 n GLN 68 Cb 1.37 -2.38 -0.06 0.00 -0.86 0.00 0.00 30.24 28.31 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 -3.33 1.02 1.04 2.61 2.20 -1.26 -5.11 119.74 116.91 2dl6 s LYS 69 Ca 0.78 -0.08 -0.17 0.00 -0.36 0.00 0.00 55.97 56.14 2dl6 s LYS 69 Cb -0.37 0.47 0.23 0.00 -1.51 0.00 0.00 37.83 36.65 2dl6 s LYS 69 CO 0.45 -0.35 1.25 1.67 -0.36 0.00 0.00 175.35 178.01 2dl6 s TRP 70 N -1.99 1.22 -0.11 4.03 -2.14 -1.26 -5.10 118.94 113.59 2dl6 s TRP 70 Ca -0.08 0.38 -0.25 0.00 2.66 0.00 0.00 56.10 58.81 2dl6 s TRP 70 Cb -0.01 -3.90 0.06 0.00 -3.10 0.00 0.00 33.47 26.53 2dl6 s TRP 70 CO 0.02 -3.07 0.61 -1.14 -2.66 0.00 0.00 176.95 170.71 2dl6 s GLN 71 N -5.73 0.89 1.01 3.25 2.00 -1.26 -5.17 119.66 114.65 2dl6 s GLN 71 Ca 0.73 0.40 -0.16 0.00 -2.00 0.00 0.00 55.36 54.33 2dl6 s GLN 71 Cb -0.06 0.42 0.21 0.00 0.80 0.00 0.00 33.01 34.39 2dl6 s GLN 71 CO 0.54 -0.23 1.26 -0.98 -0.50 0.00 0.00 175.29 175.39 2dl6 s ARG 72 N -0.69 0.29 0.73 1.67 1.70 -1.26 -5.08 118.95 116.30 2dl6 s ARG 72 Ca -0.08 -0.28 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 2dl6 s ARG 72 Cb -0.02 -1.79 0.13 0.00 -0.57 0.00 0.00 34.95 32.69 2dl6 s ARG 72 CO 0.06 -2.67 1.00 0.00 -1.08 0.00 0.00 175.30 172.61 2dl6 s LYS 74 N -5.17 4.15 0.16 0.00 -2.85 -1.26 -5.07 119.74 109.71 2dl6 s LYS 74 Ca 0.66 0.87 -0.25 0.00 -1.00 0.00 0.00 55.97 56.25 2dl6 s LYS 74 Cb -0.05 -2.48 0.06 0.00 -2.06 0.00 0.00 37.83 33.29 2dl6 s LYS 74 CO 0.45 0.17 0.94 0.21 0.10 0.00 0.00 175.35 177.21 2dl6 s LYS 75 N -2.77 1.23 -0.11 1.78 2.20 -1.26 -5.12 119.74 115.69 2dl6 s LYS 75 Ca 0.54 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 2dl6 s LYS 75 Cb -0.12 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 2dl6 s LYS 75 CO 0.18 -0.56 1.74 -0.80 -0.36 0.00 0.00 175.35 175.54 2dl6 s ASN 76 N -2.93 6.44 -0.06 1.43 0.01 -1.26 -4.95 114.94 113.62 2dl6 s ASN 76 Ca 0.12 2.07 -0.30 0.00 -0.71 0.00 0.00 52.86 54.04 2dl6 s ASN 76 Cb -0.02 -2.53 0.11 0.00 0.41 0.00 0.00 41.25 39.22 2dl6 s ASN 76 CO 0.02 -1.14 0.93 0.21 -1.51 0.00 0.00 177.10 175.62 2dl6 s ASN 77 N 4.22 -0.36 0.16 -1.22 2.47 -1.26 -5.14 114.94 113.82 2dl6 s ASN 77 Ca 0.77 0.13 -0.34 0.00 0.42 0.00 0.00 52.86 53.85 2dl6 s ASN 77 Cb -0.32 0.35 -0.14 0.00 -1.45 0.00 0.00 41.25 39.69 2dl6 s ASN 77 CO 0.32 -0.52 1.49 -0.24 -3.72 0.00 0.00 177.10 174.43 2dl6 n SER 78 N 0.07 2.70 -4.56 -4.21 2.88 -1.26 -4.95 113.62 104.29 2dl6 n SER 78 Ca -0.09 1.10 -0.37 0.00 -1.33 0.00 0.00 58.87 58.19 2dl6 n SER 78 Cb 0.60 -1.38 -0.11 0.00 -0.75 0.00 0.00 64.21 62.58 2dl6 n SER 78 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dl6 s GLY 79 N 0.69 1.88 1.13 0.46 0.00 -1.26 -5.09 107.32 105.12 2dl6 s GLY 79 Ca 0.78 -1.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.32 2dl6 s GLY 79 CO 0.42 0.47 1.10 2.56 0.00 0.00 0.00 173.10 177.65 2dl6 s PRO 80 N 1.35 -0.60 0.35 2.90 0.04 -1.26 -4.96 135.00 132.83 2dl6 s PRO 80 Ca 0.06 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 2dl6 s PRO 80 Cb -0.15 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 2dl6 s PRO 80 CO 0.06 -3.34 1.51 0.45 0.04 0.00 0.00 177.00 175.72 2dl6 s SER 81 N -3.70 6.35 0.07 6.66 0.15 -1.26 -4.93 113.70 117.05 2dl6 s SER 81 Ca 0.69 3.02 -0.18 0.00 0.70 0.00 0.00 55.95 60.18 2dl6 s SER 81 Cb -0.13 -2.66 -0.10 0.00 -1.71 0.00 0.00 66.02 61.42 2dl6 s SER 81 CO 0.57 -0.88 1.43 0.28 1.20 0.00 0.00 173.24 175.84 2dl6 h SER 82 N 3.52 0.51 0.00 5.45 0.02 -2.07 -3.57 113.55 117.41 2dl6 h SER 82 Ca -0.50 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2dl6 h SER 82 Cb 1.23 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2dl6 h SER 82 CO 0.68 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.80