#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 5.31 0.72 1.61 0.01 -1.26 -5.10 113.70 114.99 2dl6 s SER 2 Ca 0.00 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 56.54 2dl6 s SER 2 Cb 0.00 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.54 2dl6 s SER 2 CO 0.00 -0.60 1.17 -0.55 0.41 0.00 0.00 173.24 173.67 2dl6 s SER 3 N -4.16 4.43 0.03 2.44 0.15 -1.26 -5.05 113.70 110.28 2dl6 s SER 3 Ca 0.48 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.36 2dl6 s SER 3 Cb -0.06 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2dl6 s SER 3 CO 0.29 -2.10 0.00 0.61 1.20 0.00 0.00 173.24 173.24 2dl6 n GLY 4 N 0.09 1.55 3.15 9.45 0.00 -1.26 -5.15 105.19 113.02 2dl6 n GLY 4 Ca 0.12 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 0.32 0.04 1.61 0.15 -1.26 -5.18 113.70 108.39 2dl6 s SER 5 Ca 0.00 -1.21 -0.00 0.00 0.70 0.00 0.00 55.95 55.43 2dl6 s SER 5 Cb 0.00 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 2dl6 s SER 5 CO 0.00 -0.73 -0.03 -0.44 1.20 0.00 0.00 173.24 173.24 2dl6 s SER 6 N -3.05 0.42 0.69 5.45 0.01 -1.26 -5.15 113.70 110.81 2dl6 s SER 6 Ca 0.25 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.57 2dl6 s SER 6 Cb 0.07 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2dl6 s SER 6 CO 0.02 -0.46 1.21 -0.83 0.41 0.00 0.00 173.24 173.59 2dl6 s GLY 7 N -2.28 2.47 0.01 3.44 0.00 -1.26 -5.04 107.32 104.67 2dl6 s GLY 7 Ca -0.03 0.93 -0.05 0.00 0.00 0.00 0.00 44.72 45.57 2dl6 s GLY 7 CO -0.06 1.33 0.09 -1.83 0.00 0.00 0.00 173.10 172.63 2dl6 s GLU 8 N -3.75 0.44 0.83 2.90 1.03 -1.26 -4.85 118.70 114.05 2dl6 s GLU 8 Ca 0.75 -0.48 -0.11 0.00 0.03 0.00 0.00 54.97 55.16 2dl6 s GLU 8 Cb -0.30 0.18 0.09 0.00 -0.80 0.00 0.00 34.13 33.30 2dl6 s GLU 8 CO 0.42 -0.10 1.09 -1.25 -1.33 0.00 0.00 175.26 174.09 2dl6 s PRO 9 N -1.49 1.77 -0.13 -4.83 0.04 -1.26 -5.02 135.00 124.08 2dl6 s PRO 9 Ca -0.15 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 2dl6 s PRO 9 Cb -0.08 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 2dl6 s PRO 9 CO 0.01 -1.93 0.25 -0.91 0.04 0.00 0.00 177.00 174.45 2dl6 h ASN 10 N -1.33 0.00 -3.21 6.66 4.21 -2.01 -3.48 115.58 116.42 2dl6 h ASN 10 Ca -0.46 -0.39 -0.46 0.00 1.21 0.00 0.00 56.30 56.20 2dl6 h ASN 10 Cb 1.26 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 38.58 2dl6 h ASN 10 CO 0.53 0.84 0.27 -1.00 -1.29 0.00 0.00 177.43 176.78 2dl6 s HIS 11 N -1.99 1.70 0.35 1.19 3.76 -1.26 -5.12 115.29 113.92 2dl6 s HIS 11 Ca -0.12 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 2dl6 s HIS 11 Cb 0.00 -3.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.09 2dl6 s HIS 11 CO 0.34 -2.15 0.11 -0.51 -0.85 0.00 0.00 174.74 171.68 2dl6 s LEU 12 N -5.52 1.94 -0.09 0.89 1.02 -1.26 -5.06 118.68 110.61 2dl6 s LEU 12 Ca 0.69 -1.53 0.12 0.00 0.02 0.00 0.00 54.13 53.44 2dl6 s LEU 12 Cb -0.05 -0.12 0.28 0.00 0.02 0.00 0.00 46.19 46.32 2dl6 s LEU 12 CO 0.49 -0.80 1.20 -0.67 0.02 0.00 0.00 176.35 176.58 2dl6 n ASP 13 N -0.94 2.74 -4.56 2.29 2.03 -1.26 -5.04 116.55 111.81 2dl6 n ASP 13 Ca -0.03 -2.60 -0.29 0.00 0.52 0.00 0.00 54.79 52.39 2dl6 n ASP 13 Cb 0.66 -0.31 0.15 0.00 -0.72 0.00 0.00 41.12 40.89 2dl6 n ASP 13 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2dl6 s VAL 14 N -2.05 1.95 0.20 5.18 -7.23 -1.26 -5.08 120.40 112.11 2dl6 s VAL 14 Ca 0.25 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.51 2dl6 s VAL 14 Cb 0.20 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2dl6 s VAL 14 CO 0.06 0.00 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.99 2dl6 s ASP 15 N -4.25 4.43 0.33 4.85 1.11 -1.26 -4.98 116.67 116.89 2dl6 s ASP 15 Ca 0.66 -0.56 0.11 0.00 0.18 0.00 0.00 52.55 52.95 2dl6 s ASP 15 Cb -0.12 -0.81 0.99 0.00 1.07 0.00 0.00 42.92 44.05 2dl6 s ASP 15 CO 0.53 0.08 1.66 -0.07 1.18 0.00 0.00 175.17 178.54 2dl6 h LEU 16 N 2.63 0.37 -0.26 1.23 3.38 -1.98 0.46 115.31 121.14 2dl6 h LEU 16 Ca -0.46 0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.50 2dl6 h LEU 16 Cb 1.21 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2dl6 h LEU 16 CO 0.57 -0.15 -0.65 -0.33 0.09 0.00 0.00 178.44 177.97 2dl6 h GLU 17 N 0.29 0.81 -6.47 1.13 5.08 -1.98 -3.29 114.58 110.15 2dl6 h GLU 17 Ca 0.69 -0.57 -0.60 0.00 -1.00 0.00 0.00 59.36 57.87 2dl6 h GLU 17 Cb 1.53 0.09 0.06 0.00 0.50 0.00 0.00 28.75 30.94 2dl6 h GLU 17 CO -0.63 1.20 0.70 2.41 -1.00 0.00 0.00 179.01 181.69 2dl6 n THR 18 N -3.97 0.17 -1.74 1.13 -1.04 0.16 -4.81 114.28 104.18 2dl6 n THR 18 Ca -0.05 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 2dl6 n THR 18 Cb 0.68 -1.39 0.09 0.00 -1.82 0.00 0.00 70.33 67.89 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 0.60 2.06 -0.16 -2.82 1.81 -1.26 -2.83 118.95 116.34 2dl6 s ARG 19 Ca 0.78 0.36 -0.02 0.00 -1.72 0.00 0.00 55.73 55.13 2dl6 s ARG 19 Cb -0.73 -1.94 0.05 0.00 -0.45 0.00 0.00 34.95 31.88 2dl6 s ARG 19 CO 0.42 -1.58 0.00 0.42 -0.68 0.00 0.00 175.30 173.88 2dl6 s ILE 20 N -3.36 0.66 0.38 1.52 -1.09 -0.91 -4.79 121.20 113.60 2dl6 s ILE 20 Ca 0.61 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 58.33 2dl6 s ILE 20 Cb -0.13 -1.00 -0.09 0.00 -1.58 0.00 0.00 42.46 39.67 2dl6 s ILE 20 CO 0.52 -0.02 1.20 -2.16 -1.23 0.00 0.00 174.94 173.25 2dl6 s PRO 21 N 1.82 4.14 -0.09 2.79 0.04 -1.26 -4.25 135.00 138.19 2dl6 s PRO 21 Ca 0.01 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 2dl6 s PRO 21 Cb -0.16 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.63 2dl6 s PRO 21 CO -0.07 -0.27 0.22 0.14 0.04 0.00 0.00 177.00 177.06 2dl6 s VAL 22 N -1.33 -0.01 -0.33 -0.36 -7.23 -1.17 -2.63 120.40 107.33 2dl6 s VAL 22 Ca 0.55 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.67 2dl6 s VAL 22 Cb -0.33 -0.33 0.01 0.00 0.56 0.00 0.00 36.38 36.29 2dl6 s VAL 22 CO 0.42 0.02 0.17 -0.51 -0.31 0.00 0.00 175.10 174.89 2dl6 s ILE 23 N 0.52 4.54 0.98 -0.62 2.07 0.61 -0.93 121.20 128.37 2dl6 s ILE 23 Ca -0.03 -0.62 -0.13 0.00 -1.41 0.00 0.00 60.65 58.46 2dl6 s ILE 23 Cb -0.05 -3.40 0.08 0.00 0.13 0.00 0.00 42.46 39.22 2dl6 s ILE 23 CO -0.03 -0.05 0.53 -3.20 -1.91 0.00 0.00 174.94 170.28 2dl6 n ASN 24 N 4.98 -1.64 -0.06 4.50 4.05 0.28 -2.89 115.26 124.48 2dl6 n ASN 24 Ca -0.13 0.26 -0.07 0.00 0.45 0.00 0.00 54.58 55.09 2dl6 n ASN 24 Cb 0.48 -1.23 -0.06 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 -2.40 1.13 0.38 1.20 4.01 -1.20 -3.63 118.16 117.64 2dl6 n LYS 25 Ca 0.07 0.04 -0.17 0.00 -0.51 0.00 0.00 58.31 57.74 2dl6 n LYS 25 Cb 0.54 -1.25 -0.08 0.00 -0.51 0.00 0.00 35.03 33.73 2dl6 n LYS 25 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2dl6 h VAL 26 N 0.00 0.18 0.04 -0.18 2.07 -1.94 -3.37 116.25 113.04 2dl6 h VAL 26 Ca -0.27 -0.19 -0.38 0.00 0.82 0.00 0.00 66.70 66.69 2dl6 h VAL 26 Cb 1.49 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2dl6 h VAL 26 CO -0.02 0.01 -2.23 -0.67 0.02 0.00 0.00 177.57 174.69 2dl6 n ASP 27 N -5.46 2.01 0.00 0.57 2.03 -1.26 -5.03 116.55 109.40 2dl6 n ASP 27 Ca -0.13 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2dl6 n ASP 27 Cb 0.40 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 1.93 1.38 3.80 0.27 0.00 -1.24 -5.06 105.19 106.27 2dl6 n GLY 28 Ca -0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 5.41 -0.15 2.61 2.01 -1.26 -4.74 115.64 117.52 2dl6 s THR 29 Ca 0.00 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 2dl6 s THR 29 Cb 0.00 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2dl6 s THR 29 CO 0.00 0.52 0.28 -0.22 -0.69 0.00 0.00 174.62 174.51 2dl6 s LEU 30 N -0.29 4.26 -0.22 4.42 2.96 -1.26 -0.55 118.68 127.99 2dl6 s LEU 30 Ca 0.13 0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 2dl6 s LEU 30 Cb -0.12 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 2dl6 s LEU 30 CO 0.02 0.13 0.14 -0.76 -1.32 0.00 0.00 176.35 174.57 2dl6 s LEU 31 N 0.29 4.13 0.22 -0.68 1.43 -0.11 -4.96 118.68 118.99 2dl6 s LEU 31 Ca 0.16 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2dl6 s LEU 31 Cb -0.13 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2dl6 s LEU 31 CO 0.04 0.11 0.05 0.68 0.23 0.00 0.00 176.35 177.46 2dl6 s VAL 32 N 0.79 0.60 0.00 -1.59 -7.23 -1.26 -3.02 120.40 108.69 2dl6 s VAL 32 Ca 0.07 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2dl6 s VAL 32 Cb -0.13 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2dl6 s VAL 32 CO 0.02 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2dl6 n GLY 33 N -0.36 3.47 0.25 2.32 0.00 -1.26 -2.71 105.19 106.91 2dl6 n GLY 33 Ca -0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2dl6 n GLY 33 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dl6 h GLU 34 N 0.00 -0.54 -0.74 1.61 5.08 -1.97 -3.08 114.58 114.93 2dl6 h GLU 34 Ca 0.00 0.04 0.31 0.00 -1.00 0.00 0.00 59.36 58.71 2dl6 h GLU 34 Cb 0.00 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.24 2dl6 h GLU 34 CO 0.00 -0.24 0.41 -0.25 -1.00 0.00 0.00 179.01 177.93 2dl6 n ASP 35 N -5.21 0.25 -4.78 1.42 9.92 -1.10 -4.21 116.55 112.84 2dl6 n ASP 35 Ca -0.10 1.20 -0.37 0.00 -0.53 0.00 0.00 54.79 54.99 2dl6 n ASP 35 Cb 0.29 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 40.12 2dl6 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dl6 s ALA 36 N -5.09 3.23 1.09 2.24 0.00 -1.16 -4.85 121.76 117.21 2dl6 s ALA 36 Ca -0.07 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 2dl6 s ALA 36 Cb 0.25 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.28 2dl6 s ALA 36 CO 0.57 0.15 0.40 -0.35 0.00 0.00 0.00 175.76 176.53 2dl6 n PRO 37 N 0.67 -1.82 -4.24 0.00 -0.04 -1.26 -4.72 135.00 123.58 2dl6 n PRO 37 Ca 0.01 -0.65 -0.28 0.00 -0.04 0.00 0.00 63.50 62.55 2dl6 n PRO 37 Cb 0.49 -0.61 -0.09 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.92 2.17 0.26 0.54 0.52 -1.26 -2.14 118.95 115.12 2dl6 s ARG 38 Ca 0.26 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 2dl6 s ARG 38 Cb -0.03 -2.26 0.50 0.00 0.52 0.00 0.00 34.95 33.68 2dl6 s ARG 38 CO 0.20 0.47 1.75 -0.09 0.02 0.00 0.00 175.30 177.65 2dl6 h ARG 39 N 3.10 0.56 0.67 3.54 9.65 -1.59 0.46 114.38 130.76 2dl6 h ARG 39 Ca -0.48 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.34 2dl6 h ARG 39 Cb 1.19 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 2dl6 h ARG 39 CO 0.54 0.37 -0.45 0.00 2.80 0.00 0.00 179.97 183.24 2dl6 h ALA 40 N 1.55 -1.22 -0.06 2.80 0.00 -1.84 -2.09 119.26 118.40 2dl6 h ALA 40 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dl6 h ALA 40 Cb 0.63 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dl6 h ALA 40 CO -0.37 -1.19 0.00 -0.85 0.00 0.00 0.00 179.25 176.84 2dl6 n GLU 41 N -5.24 1.26 -0.23 0.00 0.28 -0.98 -3.95 120.64 111.78 2dl6 n GLU 41 Ca -0.13 -0.25 -0.06 0.00 -0.16 0.00 0.00 57.16 56.56 2dl6 n GLU 41 Cb 0.45 -1.36 0.09 0.00 1.43 0.00 0.00 31.44 32.05 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 0.36 1.01 0.26 -1.84 5.85 0.65 -1.41 115.31 120.18 2dl6 h LEU 42 Ca 0.00 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2dl6 h LEU 42 Cb 0.41 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2dl6 h LEU 42 CO 0.03 0.95 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.87 2dl6 h GLU 43 N 1.03 -0.33 -1.11 1.25 4.57 -1.75 0.13 114.58 118.37 2dl6 h GLU 43 Ca 0.22 0.02 0.31 0.00 -1.18 0.00 0.00 59.36 58.74 2dl6 h GLU 43 Cb 0.31 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.92 2dl6 h GLU 43 CO -0.01 -0.22 0.78 0.00 -1.18 0.00 0.00 179.01 178.39 2dl6 h MET 44 N -0.48 0.08 0.00 1.92 -0.00 -1.84 0.19 114.93 114.81 2dl6 h MET 44 Ca -0.04 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2dl6 h MET 44 Cb 0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 2dl6 h MET 44 CO 0.06 0.06 -0.00 2.35 -0.00 0.00 0.00 176.91 179.37 2dl6 h TRP 45 N 0.09 -0.00 0.00 -0.10 7.01 -1.21 -3.19 115.95 118.55 2dl6 h TRP 45 Ca 0.55 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.55 2dl6 h TRP 45 Cb 2.02 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.08 2dl6 h TRP 45 CO -0.00 0.78 0.00 -0.07 -2.79 0.00 0.00 178.44 176.36 2dl6 h LEU 46 N -0.79 0.00 0.56 0.65 3.38 0.12 0.66 115.31 119.88 2dl6 h LEU 46 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2dl6 h LEU 46 Cb 0.79 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dl6 h LEU 46 CO 0.00 0.00 -0.27 1.56 0.09 0.00 0.00 178.44 179.82 2dl6 h GLN 47 N 0.00 -0.72 -0.01 1.13 1.08 -1.14 -2.49 115.11 112.95 2dl6 h GLN 47 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2dl6 h GLN 47 Cb 0.02 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2dl6 h GLN 47 CO 0.00 -0.42 -0.45 0.41 -0.95 0.00 0.00 178.83 177.42 2dl6 n GLY 48 N -0.89 -0.12 0.94 3.46 0.00 -1.03 -4.37 105.19 103.18 2dl6 n GLY 48 Ca -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.32 0.65 0.97 1.61 8.25 0.23 -4.73 115.22 121.88 2dl6 n HIS 49 Ca 0.07 -1.64 0.06 0.00 -0.26 0.00 0.00 57.72 55.94 2dl6 n HIS 49 Cb 0.36 -0.34 0.33 0.00 1.12 0.00 0.00 29.99 31.45 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 0.00 -0.41 -0.04 -0.94 -3.11 135.00 129.92 2dl6 n PRO 50 Ca 0.26 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 2dl6 n PRO 50 Cb 0.81 -1.35 0.37 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.85 0.25 -3.86 0.54 1.02 -1.26 -4.73 120.64 111.75 2dl6 n GLU 51 Ca 0.08 0.12 -0.26 0.00 -0.02 0.00 0.00 57.16 57.09 2dl6 n GLU 51 Cb 0.04 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.46 1.66 -0.16 -0.32 0.40 -1.18 -3.26 117.98 112.65 2dl6 s PHE 52 Ca 0.15 -0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 2dl6 s PHE 52 Cb 0.09 -1.93 0.06 0.00 0.51 0.00 0.00 43.02 41.76 2dl6 s PHE 52 CO 0.20 -0.48 0.37 0.00 0.70 0.00 0.00 175.22 176.01 2dl6 s ALA 53 N -2.76 -0.93 0.10 5.36 0.00 -1.14 -4.92 121.76 117.47 2dl6 s ALA 53 Ca 0.35 1.37 -0.35 0.00 0.00 0.00 0.00 51.96 53.33 2dl6 s ALA 53 Cb -0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 23.12 21.97 2dl6 s ALA 53 CO 0.22 -0.40 1.50 0.28 0.00 0.00 0.00 175.76 177.36 2dl6 n VAL 54 N 4.62 0.04 -1.68 0.00 0.31 -1.26 -0.28 118.33 120.07 2dl6 n VAL 54 Ca -0.19 -0.01 -0.45 0.00 -0.01 0.00 0.00 64.34 63.68 2dl6 n VAL 54 Cb 0.53 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 32.17 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 3.28 3.48 0.09 4.52 2.03 -1.08 -4.80 116.55 124.08 2dl6 n ASP 55 Ca 0.18 1.04 -0.03 0.00 0.52 0.00 0.00 54.79 56.50 2dl6 n ASP 55 Cb 0.24 -1.46 0.20 0.00 -0.72 0.00 0.00 41.12 39.38 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 7.24 0.23 -0.67 -0.67 0.13 -1.94 -2.93 132.00 133.38 2dl6 h PRO 56 Ca -0.46 -0.12 -0.07 0.00 -0.87 0.00 0.00 66.00 64.48 2dl6 h PRO 56 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2dl6 h PRO 56 CO 0.92 0.65 0.14 0.00 -0.23 0.00 0.00 178.00 179.47 2dl6 h ARG 57 N 0.18 1.10 -0.32 0.86 3.08 -2.01 -1.44 114.38 115.84 2dl6 h ARG 57 Ca 0.01 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 2dl6 h ARG 57 Cb 0.89 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2dl6 h ARG 57 CO 0.07 0.99 -0.27 0.35 -1.07 0.00 0.00 179.97 180.04 2dl6 h PHE 58 N 1.02 0.74 0.17 3.04 3.04 -1.94 -3.22 116.94 119.80 2dl6 h PHE 58 Ca 0.21 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2dl6 h PHE 58 Cb 0.41 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2dl6 h PHE 58 CO 0.03 0.86 -0.08 -0.07 -2.02 0.00 0.00 178.31 177.03 2dl6 h LEU 59 N 0.56 -0.19 -0.90 0.59 3.38 -1.32 -3.17 115.31 114.26 2dl6 h LEU 59 Ca 0.07 -0.26 0.24 0.00 0.09 0.00 0.00 57.88 58.02 2dl6 h LEU 59 Cb 0.76 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 2dl6 h LEU 59 CO 0.06 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.77 2dl6 n ALA 60 N -2.39 0.44 -0.23 1.53 0.00 -0.56 -0.93 120.51 118.36 2dl6 n ALA 60 Ca -0.09 0.96 -0.06 0.00 0.00 0.00 0.00 53.44 54.25 2dl6 n ALA 60 Cb 0.23 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -5.32 -0.24 -0.38 0.00 9.36 -1.20 -0.75 117.16 118.63 2dl6 n TYR 61 Ca 0.21 0.69 -0.09 0.00 3.32 0.00 0.00 57.90 62.03 2dl6 n TYR 61 Cb 0.68 -0.53 -0.07 0.00 -0.63 0.00 0.00 39.34 38.79 2dl6 n TYR 61 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2dl6 n MET 62 N -4.27 -0.38 -0.31 2.98 2.81 -0.11 0.11 117.12 117.95 2dl6 n MET 62 Ca 0.01 1.37 0.17 0.00 -1.81 0.00 0.00 57.70 57.45 2dl6 n MET 62 Cb 0.14 -2.02 0.36 0.00 -0.71 0.00 0.00 33.22 31.00 2dl6 n MET 62 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2dl6 h GLU 63 N 0.00 0.23 0.36 0.03 4.57 -1.02 0.42 114.58 119.17 2dl6 h GLU 63 Ca 0.17 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2dl6 h GLU 63 Cb 0.39 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2dl6 h GLU 63 CO -0.86 0.15 -0.34 -0.44 -1.18 0.00 0.00 179.01 176.35 2dl6 h ASP 64 N 0.24 -0.90 0.38 1.04 3.32 0.12 -1.88 116.42 118.74 2dl6 h ASP 64 Ca 0.63 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.71 2dl6 h ASP 64 Cb 1.34 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 2dl6 h ASP 64 CO -0.65 -0.48 -0.22 0.08 -1.72 0.00 0.00 179.24 176.25 2dl6 h ARG 65 N -0.72 0.00 0.43 3.56 0.11 -0.58 -3.07 114.38 114.11 2dl6 h ARG 65 Ca -0.03 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.03 2dl6 h ARG 65 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2dl6 h ARG 65 CO -0.05 0.22 -0.20 0.00 0.10 0.00 0.00 179.97 180.04 2dl6 h ARG 66 N 0.00 -0.55 -0.51 0.08 2.47 0.41 -3.18 114.38 113.10 2dl6 h ARG 66 Ca -0.00 0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.81 2dl6 h ARG 66 Cb 0.47 0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 28.83 2dl6 h ARG 66 CO 0.03 -0.35 -0.53 0.87 0.56 0.00 0.00 179.97 180.54 2dl6 h LYS 67 N -0.60 -0.28 -7.42 0.04 1.57 -1.26 -3.41 116.57 105.22 2dl6 h LYS 67 Ca -0.06 0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 58.24 2dl6 h LYS 67 Cb 0.45 0.06 0.07 0.00 0.08 0.00 0.00 32.23 32.90 2dl6 h LYS 67 CO 0.10 -0.18 0.42 -1.14 -0.57 0.00 0.00 179.45 178.07 2dl6 s GLN 68 N -5.44 3.21 -0.07 3.15 0.74 -1.20 -5.09 119.66 114.96 2dl6 s GLN 68 Ca -0.13 0.60 -0.11 0.00 0.05 0.00 0.00 55.36 55.77 2dl6 s GLN 68 Cb 0.08 -2.05 0.02 0.00 1.10 0.00 0.00 33.01 32.17 2dl6 s GLN 68 CO 0.58 -0.81 0.28 -1.59 -0.55 0.00 0.00 175.29 173.19 2dl6 s LYS 69 N -5.27 0.46 -0.05 1.67 0.00 -1.26 -4.86 119.74 110.42 2dl6 s LYS 69 Ca 0.57 0.12 -0.15 0.00 0.00 0.00 0.00 55.97 56.50 2dl6 s LYS 69 Cb -0.11 0.21 -0.10 0.00 0.00 0.00 0.00 37.83 37.83 2dl6 s LYS 69 CO 0.53 -0.09 0.61 2.35 0.00 0.00 0.00 175.35 178.75 2dl6 h TRP 70 N 4.94 -0.32 -2.45 1.78 7.01 -1.98 -3.46 115.95 121.47 2dl6 h TRP 70 Ca -0.28 -0.01 -0.45 0.00 2.11 0.00 0.00 58.89 60.26 2dl6 h TRP 70 Cb 1.19 0.10 0.23 0.00 -2.10 0.00 0.00 29.16 28.58 2dl6 h TRP 70 CO 0.47 -0.06 -0.93 1.04 -2.79 0.00 0.00 178.44 176.17 2dl6 n GLN 71 N -5.00 -1.74 -4.17 2.65 6.02 -1.26 -5.01 117.38 108.87 2dl6 n GLN 71 Ca -0.06 -0.49 -0.30 0.00 -0.01 0.00 0.00 57.00 56.14 2dl6 n GLN 71 Cb 0.20 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.61 2dl6 n GLN 71 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2dl6 s ARG 72 N -3.58 2.50 -0.19 -1.09 1.04 -1.26 -5.03 118.95 111.33 2dl6 s ARG 72 Ca 0.58 -0.85 0.04 0.00 -1.04 0.00 0.00 55.73 54.46 2dl6 s ARG 72 Cb -0.14 -2.51 -0.14 0.00 -2.04 0.00 0.00 34.95 30.12 2dl6 s ARG 72 CO 0.66 0.54 -0.12 0.00 -0.04 0.00 0.00 175.30 176.34 2dl6 n LYS 74 N -2.97 2.43 -4.14 0.00 4.81 -1.26 -4.97 118.16 112.06 2dl6 n LYS 74 Ca -0.33 0.89 -0.15 0.00 -0.87 0.00 0.00 58.31 57.85 2dl6 n LYS 74 Cb 0.90 -2.77 -0.11 0.00 0.02 0.00 0.00 35.03 33.07 2dl6 n LYS 74 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2dl6 s LYS 75 N 3.94 0.73 0.57 1.64 2.20 -1.26 -5.15 119.74 122.41 2dl6 s LYS 75 Ca 0.90 -0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 55.40 2dl6 s LYS 75 Cb -0.60 -0.55 -0.05 0.00 -1.51 0.00 0.00 37.83 35.12 2dl6 s LYS 75 CO 0.47 0.10 1.02 -0.80 -0.36 0.00 0.00 175.35 175.78 2dl6 s ASN 76 N -1.94 6.24 0.91 1.43 0.01 -1.26 -5.06 114.94 115.27 2dl6 s ASN 76 Ca -0.02 1.61 -0.14 0.00 -0.71 0.00 0.00 52.86 53.61 2dl6 s ASN 76 Cb -0.07 -2.51 0.14 0.00 0.41 0.00 0.00 41.25 39.22 2dl6 s ASN 76 CO 0.01 -0.86 1.20 0.54 -1.51 0.00 0.00 177.10 176.48 2dl6 s ASN 77 N -3.24 3.58 0.09 -1.22 4.22 -1.26 -5.10 114.94 112.01 2dl6 s ASN 77 Ca 0.59 0.71 -0.17 0.00 -2.14 0.00 0.00 52.86 51.85 2dl6 s ASN 77 Cb -0.12 -1.10 0.04 0.00 1.28 0.00 0.00 41.25 41.35 2dl6 s ASN 77 CO 0.38 -2.48 0.41 -0.44 -2.04 0.00 0.00 177.10 172.93 2dl6 s SER 78 N -4.42 -0.26 0.04 3.54 0.01 -1.26 -5.18 113.70 106.17 2dl6 s SER 78 Ca 0.66 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.78 2dl6 s SER 78 Cb -0.10 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 2dl6 s SER 78 CO 0.52 -0.76 -0.09 -0.83 0.41 0.00 0.00 173.24 172.49 2dl6 s GLY 79 N -2.43 0.53 -0.00 3.44 0.00 -1.26 -5.06 107.32 102.53 2dl6 s GLY 79 Ca -0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 44.72 43.77 2dl6 s GLY 79 CO -0.07 -0.73 1.29 -0.56 0.00 0.00 0.00 173.10 173.03 2dl6 h PRO 80 N 4.78 0.12 -5.79 2.90 0.13 -2.06 -3.47 132.00 128.61 2dl6 h PRO 80 Ca -0.35 -0.07 -0.38 0.00 -0.87 0.00 0.00 66.00 64.34 2dl6 h PRO 80 Cb 1.20 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.48 2dl6 h PRO 80 CO 0.43 0.58 -0.71 0.45 -0.23 0.00 0.00 178.00 178.51 2dl6 n SER 81 N -4.75 -4.97 -4.83 1.44 2.88 -1.26 -5.01 113.62 97.13 2dl6 n SER 81 Ca -0.08 -0.57 -0.22 0.00 -1.33 0.00 0.00 58.87 56.67 2dl6 n SER 81 Cb 0.29 -5.05 -0.04 0.00 -0.75 0.00 0.00 64.21 58.65 2dl6 n SER 81 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dl6 s SER 82 N -3.66 4.89 0.00 -3.46 1.04 -1.26 -5.37 113.70 105.88 2dl6 s SER 82 Ca 0.40 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2dl6 s SER 82 Cb -0.18 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.33 2dl6 s SER 82 CO 0.73 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 175.01