#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 4.57 -0.09 1.61 1.04 -1.26 -5.11 113.70 114.46 2dl6 s SER 2 Ca 0.00 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 2dl6 s SER 2 Cb 0.00 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.43 2dl6 s SER 2 CO 0.00 0.20 0.32 -0.44 0.98 0.00 0.00 173.24 174.29 2dl6 s SER 3 N 0.18 6.58 0.00 7.02 0.01 -1.26 -4.65 113.70 121.57 2dl6 s SER 3 Ca -0.04 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2dl6 s SER 3 Cb -0.14 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2dl6 s SER 3 CO 0.03 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2dl6 n GLY 4 N 2.55 0.88 3.83 3.44 0.00 -1.26 -5.13 105.19 109.50 2dl6 n GLY 4 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.46 6.72 -0.16 1.61 0.15 -1.26 -5.08 113.70 115.21 2dl6 s SER 5 Ca 0.00 0.85 -0.04 0.00 0.70 0.00 0.00 55.95 57.47 2dl6 s SER 5 Cb 0.00 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.06 2dl6 s SER 5 CO 0.00 0.30 -0.04 -0.55 1.20 0.00 0.00 173.24 174.15 2dl6 s SER 6 N -0.85 4.71 0.31 5.45 0.15 -1.26 -4.90 113.70 117.31 2dl6 s SER 6 Ca 0.22 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dl6 s SER 6 Cb -0.16 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2dl6 s SER 6 CO 0.11 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2dl6 n GLY 7 N 3.70 -1.38 3.88 9.45 0.00 -1.26 -4.02 105.19 115.56 2dl6 n GLY 7 Ca -0.17 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.79 -0.57 1.61 0.41 -1.26 -5.00 118.70 115.68 2dl6 s GLU 8 Ca 0.00 0.38 -0.27 0.00 -0.41 0.00 0.00 54.97 54.67 2dl6 s GLU 8 Cb 0.00 -2.49 -0.02 0.00 -1.78 0.00 0.00 34.13 29.84 2dl6 s GLU 8 CO 0.00 0.10 1.84 -1.25 -0.49 0.00 0.00 175.26 175.45 2dl6 s PRO 9 N -3.50 2.75 0.02 0.39 0.04 -1.26 -4.96 135.00 128.48 2dl6 s PRO 9 Ca 0.50 0.72 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2dl6 s PRO 9 Cb -0.10 -4.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 2dl6 s PRO 9 CO 0.27 -2.58 -0.08 -0.80 0.04 0.00 0.00 177.00 173.85 2dl6 s ASN 10 N 7.69 0.90 1.25 6.66 -0.87 -1.26 -5.16 114.94 124.15 2dl6 s ASN 10 Ca 0.69 -0.30 -0.20 0.00 -1.57 0.00 0.00 52.86 51.48 2dl6 s ASN 10 Cb -0.14 -0.05 0.30 0.00 -0.02 0.00 0.00 41.25 41.34 2dl6 s ASN 10 CO 0.23 -0.02 1.07 -1.38 -2.57 0.00 0.00 177.10 174.43 2dl6 s HIS 11 N -0.63 0.29 0.27 2.20 -3.43 -1.26 -4.96 115.29 107.77 2dl6 s HIS 11 Ca -0.02 0.52 -0.29 0.00 -0.80 0.00 0.00 55.06 54.48 2dl6 s HIS 11 Cb -0.06 -3.34 -0.10 0.00 -1.43 0.00 0.00 32.58 27.66 2dl6 s HIS 11 CO 0.00 -4.10 1.29 -0.48 -2.00 0.00 0.00 174.74 169.45 2dl6 s LEU 12 N -7.12 4.44 -0.01 5.38 0.05 -1.26 -5.03 118.68 115.12 2dl6 s LEU 12 Ca 0.70 2.53 0.02 0.00 0.05 0.00 0.00 54.13 57.44 2dl6 s LEU 12 Cb -0.11 -3.63 -0.00 0.00 -2.05 0.00 0.00 46.19 40.40 2dl6 s LEU 12 CO 0.57 -0.49 -0.08 -0.62 -0.55 0.00 0.00 176.35 175.18 2dl6 s ASP 13 N -0.21 0.98 0.32 1.48 2.15 -1.26 -5.15 116.67 114.98 2dl6 s ASP 13 Ca 0.52 -0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.40 2dl6 s ASP 13 Cb -0.38 -0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.07 2dl6 s ASP 13 CO 0.46 0.09 0.23 0.68 -0.17 0.00 0.00 175.17 176.45 2dl6 s VAL 14 N -0.10 0.11 -0.14 1.11 -7.23 -1.26 -5.16 120.40 107.74 2dl6 s VAL 14 Ca 0.02 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 2dl6 s VAL 14 Cb -0.04 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2dl6 s VAL 14 CO -0.00 0.00 0.09 -1.81 -0.31 0.00 0.00 175.10 173.06 2dl6 s ASP 15 N -3.38 5.89 0.28 4.85 1.01 -1.26 -5.00 116.67 119.07 2dl6 s ASP 15 Ca 0.38 0.25 -0.02 0.00 0.71 0.00 0.00 52.55 53.87 2dl6 s ASP 15 Cb 0.03 -1.91 0.62 0.00 1.01 0.00 0.00 42.92 42.67 2dl6 s ASP 15 CO 0.23 0.30 1.60 -0.07 0.21 0.00 0.00 175.17 177.45 2dl6 h LEU 16 N 5.74 -0.39 -1.29 1.23 3.38 -1.99 0.88 115.31 122.87 2dl6 h LEU 16 Ca -0.47 0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2dl6 h LEU 16 Cb 1.19 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 2dl6 h LEU 16 CO 0.63 -0.26 0.49 -0.33 0.09 0.00 0.00 178.44 179.05 2dl6 h GLU 17 N 0.07 0.95 -6.10 1.13 5.08 -1.98 -3.20 114.58 110.53 2dl6 h GLU 17 Ca 0.52 -0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 58.18 2dl6 h GLU 17 Cb 1.02 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2dl6 h GLU 17 CO -0.80 0.63 1.27 2.41 -1.00 0.00 0.00 179.01 181.52 2dl6 n THR 18 N -4.43 0.35 -0.71 1.13 -1.04 0.31 -4.85 114.28 105.04 2dl6 n THR 18 Ca 0.08 -0.22 -0.29 0.00 -2.04 0.00 0.00 64.05 61.58 2dl6 n THR 18 Cb 0.04 -1.82 0.21 0.00 -1.82 0.00 0.00 70.33 66.94 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 5.28 0.01 -0.26 -2.82 1.81 -1.26 -3.49 118.95 118.22 2dl6 s ARG 19 Ca 1.02 1.04 -0.02 0.00 -1.72 0.00 0.00 55.73 56.05 2dl6 s ARG 19 Cb -0.75 -1.65 0.08 0.00 -0.45 0.00 0.00 34.95 32.19 2dl6 s ARG 19 CO 0.50 -3.15 0.07 0.42 -0.68 0.00 0.00 175.30 172.45 2dl6 s ILE 20 N -2.60 0.66 0.38 1.52 -1.09 -0.96 -4.81 121.20 114.30 2dl6 s ILE 20 Ca 0.67 -1.00 -0.26 0.00 -2.23 0.00 0.00 60.65 57.84 2dl6 s ILE 20 Cb -0.23 -1.35 -0.09 0.00 -1.58 0.00 0.00 42.46 39.21 2dl6 s ILE 20 CO 0.61 -0.48 1.19 -2.16 -1.23 0.00 0.00 174.94 172.88 2dl6 s PRO 21 N 1.76 4.12 -0.01 2.79 0.04 -1.26 -4.34 135.00 138.09 2dl6 s PRO 21 Ca 0.05 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2dl6 s PRO 21 Cb -0.17 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2dl6 s PRO 21 CO -0.19 -0.28 0.14 0.14 0.04 0.00 0.00 177.00 176.84 2dl6 s VAL 22 N -1.34 0.06 -0.26 -0.36 -7.23 -1.18 -3.22 120.40 106.86 2dl6 s VAL 22 Ca 0.55 -0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 2dl6 s VAL 22 Cb -0.33 -0.37 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2dl6 s VAL 22 CO 0.42 -0.28 -0.04 -0.51 -0.31 0.00 0.00 175.10 174.38 2dl6 s ILE 23 N -0.98 2.97 0.76 -0.62 2.07 0.75 -0.80 121.20 125.35 2dl6 s ILE 23 Ca -0.11 -1.10 -0.15 0.00 -1.41 0.00 0.00 60.65 57.88 2dl6 s ILE 23 Cb -0.06 -2.56 0.01 0.00 0.13 0.00 0.00 42.46 39.98 2dl6 s ILE 23 CO 0.01 0.11 0.82 -3.20 -1.91 0.00 0.00 174.94 170.78 2dl6 n ASN 24 N 4.67 -0.17 -0.09 4.50 4.05 0.31 -2.80 115.26 125.72 2dl6 n ASN 24 Ca -0.15 0.60 -0.11 0.00 0.45 0.00 0.00 54.58 55.36 2dl6 n ASN 24 Cb 0.46 -1.35 -0.11 0.00 1.23 0.00 0.00 39.78 40.02 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 -1.76 0.92 0.50 1.20 4.76 -1.22 -3.30 118.16 119.26 2dl6 n LYS 25 Ca 0.12 0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.42 2dl6 n LYS 25 Cb 0.50 -1.40 -0.09 0.00 -1.84 0.00 0.00 35.03 32.19 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 0.00 0.02 -0.18 2.07 -1.93 -3.38 116.25 112.86 2dl6 h VAL 26 Ca -0.44 -0.06 -0.37 0.00 0.82 0.00 0.00 66.70 66.64 2dl6 h VAL 26 Cb 1.82 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 2dl6 h VAL 26 CO -0.03 0.00 -2.12 0.47 0.02 0.00 0.00 177.57 175.91 2dl6 n ASP 27 N -5.61 1.97 0.00 0.57 9.92 -1.26 -5.04 116.55 117.11 2dl6 n ASP 27 Ca -0.16 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2dl6 n ASP 27 Cb 0.50 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 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 1.69 1.55 3.81 0.44 0.00 -1.21 -5.06 105.19 106.40 2dl6 n GLY 28 Ca -0.43 0.00 -0.38 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 5.05 -0.17 2.61 2.01 -1.26 -4.74 115.64 117.14 2dl6 s THR 29 Ca 0.00 0.88 -0.10 0.00 0.31 0.00 0.00 61.69 62.78 2dl6 s THR 29 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2dl6 s THR 29 CO 0.00 0.52 0.17 -0.22 -0.69 0.00 0.00 174.62 174.40 2dl6 s LEU 30 N -0.68 4.26 -0.17 4.42 2.96 -1.26 -0.53 118.68 127.68 2dl6 s LEU 30 Ca 0.24 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2dl6 s LEU 30 Cb -0.16 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2dl6 s LEU 30 CO 0.13 0.21 0.05 -0.76 -1.32 0.00 0.00 176.35 174.66 2dl6 s LEU 31 N 0.06 3.77 0.10 -0.68 1.43 0.02 -4.99 118.68 118.40 2dl6 s LEU 31 Ca 0.11 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2dl6 s LEU 31 Cb -0.12 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2dl6 s LEU 31 CO 0.01 0.21 0.05 0.68 0.23 0.00 0.00 176.35 177.53 2dl6 s VAL 32 N 0.15 0.15 0.00 -1.59 -7.23 -1.26 -3.13 120.40 107.49 2dl6 s VAL 32 Ca 0.04 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2dl6 s VAL 32 Cb -0.12 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2dl6 s VAL 32 CO 0.01 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 2dl6 n GLY 33 N -0.03 3.07 0.31 2.32 0.00 -1.26 -2.75 105.19 106.85 2dl6 n GLY 33 Ca -0.09 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.57 -0.72 1.61 5.08 -1.98 -2.51 114.58 115.49 2dl6 h GLU 34 Ca 0.00 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.62 2dl6 h GLU 34 Cb 0.00 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.25 2dl6 h GLU 34 CO 0.00 -0.38 0.11 -0.25 -1.00 0.00 0.00 179.01 177.49 2dl6 n ASP 35 N -5.40 -0.00 -4.75 1.42 8.00 -1.11 -4.18 116.55 110.53 2dl6 n ASP 35 Ca -0.09 1.21 -0.40 0.00 0.71 0.00 0.00 54.79 56.22 2dl6 n ASP 35 Cb 0.30 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2dl6 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dl6 s ALA 36 N -5.49 3.34 1.10 2.24 0.00 -0.95 -4.87 121.76 117.13 2dl6 s ALA 36 Ca -0.09 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 2dl6 s ALA 36 Cb 0.22 -3.23 0.12 0.00 0.00 0.00 0.00 23.12 20.23 2dl6 s ALA 36 CO 0.56 0.13 0.43 -0.35 0.00 0.00 0.00 175.76 176.54 2dl6 n PRO 37 N 1.59 -1.86 -4.16 0.00 -0.04 -1.26 -4.69 135.00 124.58 2dl6 n PRO 37 Ca -0.01 -0.69 -0.27 0.00 -0.04 0.00 0.00 63.50 62.49 2dl6 n PRO 37 Cb 0.47 -0.65 -0.07 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.98 2.56 0.29 0.54 0.52 -1.26 -2.26 118.95 115.36 2dl6 s ARG 38 Ca 0.28 -0.99 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2dl6 s ARG 38 Cb -0.03 -2.47 0.58 0.00 0.52 0.00 0.00 34.95 33.55 2dl6 s ARG 38 CO 0.21 0.48 1.84 -0.09 0.02 0.00 0.00 175.30 177.76 2dl6 h ARG 39 N 2.76 0.95 0.14 3.54 9.65 -1.58 1.75 114.38 131.58 2dl6 h ARG 39 Ca -0.47 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.36 2dl6 h ARG 39 Cb 1.19 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.54 2dl6 h ARG 39 CO 0.60 0.63 -0.19 0.00 2.80 0.00 0.00 179.97 183.80 2dl6 h ALA 40 N 1.55 -0.35 0.00 2.80 0.00 -1.89 -2.41 119.26 118.96 2dl6 h ALA 40 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dl6 h ALA 40 Cb 0.51 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dl6 h ALA 40 CO -0.26 -0.73 -0.28 -0.85 0.00 0.00 0.00 179.25 177.12 2dl6 n GLU 41 N -5.32 0.08 0.24 0.00 0.28 -0.84 -3.88 120.64 111.19 2dl6 n GLU 41 Ca -0.07 0.04 0.14 0.00 -0.16 0.00 0.00 57.16 57.11 2dl6 n GLU 41 Cb 0.23 -1.56 0.59 0.00 1.43 0.00 0.00 31.44 32.13 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 0.00 0.00 0.22 -1.84 5.85 0.32 0.54 115.31 120.40 2dl6 h LEU 42 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 2dl6 h LEU 42 Cb 0.57 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.63 2dl6 h LEU 42 CO 0.00 0.00 -1.28 1.05 -0.34 0.00 0.00 178.44 177.87 2dl6 h GLU 43 N 0.00 0.46 0.00 1.25 4.11 -1.69 -2.45 114.58 116.26 2dl6 h GLU 43 Ca 0.08 -0.79 -0.03 0.00 0.07 0.00 0.00 59.36 58.68 2dl6 h GLU 43 Cb 1.23 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 30.77 2dl6 h GLU 43 CO -0.00 1.38 -0.32 0.00 0.07 0.00 0.00 179.01 180.14 2dl6 h MET 44 N -0.02 0.00 0.14 1.06 -0.00 -0.43 -3.25 114.93 112.43 2dl6 h MET 44 Ca -0.22 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.28 2dl6 h MET 44 Cb 2.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 33.62 2dl6 h MET 44 CO 0.24 0.12 -0.86 2.35 -0.00 0.00 0.00 176.91 178.76 2dl6 h TRP 45 N 0.00 0.53 0.00 -0.10 7.01 -0.36 -3.26 115.95 119.77 2dl6 h TRP 45 Ca -0.01 -0.39 0.00 0.00 2.11 0.00 0.00 58.89 60.60 2dl6 h TRP 45 Cb 1.11 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 2dl6 h TRP 45 CO 0.00 1.33 0.00 -0.07 -2.79 0.00 0.00 178.44 176.91 2dl6 h LEU 46 N -0.37 0.00 -0.08 0.65 3.38 -1.54 0.76 115.31 118.11 2dl6 h LEU 46 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2dl6 h LEU 46 Cb 1.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2dl6 h LEU 46 CO 0.14 0.00 0.01 1.56 0.09 0.00 0.00 178.44 180.25 2dl6 h GLN 47 N 0.00 0.13 -0.00 1.13 4.20 -1.60 -2.60 115.11 116.37 2dl6 h GLN 47 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dl6 h GLN 47 Cb 0.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2dl6 h GLN 47 CO 0.00 0.35 -0.36 0.41 -0.67 0.00 0.00 178.83 178.55 2dl6 n GLY 48 N -0.42 -0.06 1.06 3.46 0.00 -1.04 -4.51 105.19 103.67 2dl6 n GLY 48 Ca -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.74 0.88 0.97 1.61 8.25 0.26 -4.74 115.22 121.71 2dl6 n HIS 49 Ca 0.03 -1.71 0.05 0.00 -0.26 0.00 0.00 57.72 55.83 2dl6 n HIS 49 Cb 0.20 -0.35 0.32 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 -1.03 0.49 0.00 -0.41 -0.04 -0.98 -3.08 135.00 129.95 2dl6 n PRO 50 Ca 0.28 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2dl6 n PRO 50 Cb 0.82 -1.34 0.38 0.00 -0.04 0.00 0.00 33.50 33.32 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 -0.84 0.22 -3.65 0.54 1.02 -1.26 -4.74 120.64 111.93 2dl6 n GLU 51 Ca 0.08 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 57.12 2dl6 n GLU 51 Cb 0.04 -1.50 0.01 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 -2.55 1.59 -0.17 -0.32 0.40 -1.18 -3.37 117.98 112.38 2dl6 s PHE 52 Ca 0.15 -0.80 -0.08 0.00 -0.60 0.00 0.00 56.93 55.59 2dl6 s PHE 52 Cb 0.10 -2.00 0.06 0.00 0.51 0.00 0.00 43.02 41.69 2dl6 s PHE 52 CO 0.23 -0.65 0.39 0.00 0.70 0.00 0.00 175.22 175.88 2dl6 s ALA 53 N -2.74 -1.00 0.18 5.36 0.00 -1.12 -4.90 121.76 117.55 2dl6 s ALA 53 Ca 0.42 1.45 -0.33 0.00 0.00 0.00 0.00 51.96 53.50 2dl6 s ALA 53 Cb -0.03 -0.96 -0.14 0.00 0.00 0.00 0.00 23.12 21.98 2dl6 s ALA 53 CO 0.26 -0.35 1.44 0.28 0.00 0.00 0.00 175.76 177.40 2dl6 n VAL 54 N 4.47 0.45 -1.83 0.00 0.31 -1.26 -0.18 118.33 120.30 2dl6 n VAL 54 Ca -0.21 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 2dl6 n VAL 54 Cb 0.54 -1.36 -0.01 0.00 -0.91 0.00 0.00 33.84 32.10 2dl6 n VAL 54 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dl6 s ASP 55 N 0.53 6.40 0.35 4.52 -1.08 -1.20 -4.80 116.67 121.39 2dl6 s ASP 55 Ca 0.75 2.98 0.14 0.00 -0.52 0.00 0.00 52.55 55.89 2dl6 s ASP 55 Cb -0.72 -2.65 0.63 0.00 -1.46 0.00 0.00 42.92 38.72 2dl6 s ASP 55 CO 0.45 -0.85 1.75 1.55 0.52 0.00 0.00 175.17 178.59 2dl6 h PRO 56 N 3.70 0.00 -0.03 4.34 0.13 -1.95 -3.19 132.00 135.00 2dl6 h PRO 56 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dl6 h PRO 56 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dl6 h PRO 56 CO 0.70 0.44 0.01 0.00 -0.23 0.00 0.00 178.00 178.92 2dl6 h ARG 57 N 0.00 0.04 -0.79 0.86 3.08 -2.01 -2.01 114.38 113.55 2dl6 h ARG 57 Ca -0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2dl6 h ARG 57 Cb 0.83 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 2dl6 h ARG 57 CO 0.06 0.11 0.46 0.35 -1.07 0.00 0.00 179.97 179.87 2dl6 h PHE 58 N -0.05 0.83 0.68 3.04 3.57 -1.95 -2.76 116.94 120.31 2dl6 h PHE 58 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2dl6 h PHE 58 Cb 0.09 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.57 2dl6 h PHE 58 CO -0.05 0.38 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.00 2dl6 h LEU 59 N 0.80 -0.82 -0.90 0.59 3.38 -1.51 -3.18 115.31 113.67 2dl6 h LEU 59 Ca 0.36 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.45 2dl6 h LEU 59 Cb 0.26 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 2dl6 h LEU 59 CO -0.21 -0.57 -0.50 0.00 0.09 0.00 0.00 178.44 177.25 2dl6 n ALA 60 N -2.49 -0.51 -0.30 1.53 0.00 -0.78 -0.50 120.51 117.47 2dl6 n ALA 60 Ca -0.12 0.78 -0.04 0.00 0.00 0.00 0.00 53.44 54.06 2dl6 n ALA 60 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -5.15 -0.15 0.07 0.00 9.36 -1.05 -0.55 117.16 119.69 2dl6 n TYR 61 Ca 0.03 0.92 -0.04 0.00 3.32 0.00 0.00 57.90 62.13 2dl6 n TYR 61 Cb 0.25 -0.67 -0.02 0.00 -0.63 0.00 0.00 39.34 38.27 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 -0.22 -0.88 2.98 2.86 -0.82 -2.79 114.93 116.06 2dl6 h MET 62 Ca 0.19 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 58.10 2dl6 h MET 62 Cb 0.37 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 31.92 2dl6 h MET 62 CO -0.72 -0.15 0.05 -1.91 1.06 0.00 0.00 176.91 175.25 2dl6 n GLU 63 N -2.89 -0.07 -0.28 1.72 2.13 -0.38 0.48 120.64 121.34 2dl6 n GLU 63 Ca -0.03 1.32 -0.01 0.00 0.66 0.00 0.00 57.16 59.10 2dl6 n GLU 63 Cb 0.10 -2.11 0.06 0.00 0.27 0.00 0.00 31.44 29.76 2dl6 n GLU 63 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2dl6 h ASP 64 N 0.00 -1.06 -0.75 4.31 1.82 -0.53 -0.50 116.42 119.70 2dl6 h ASP 64 Ca 0.55 0.26 0.11 0.00 -0.39 0.00 0.00 57.03 57.56 2dl6 h ASP 64 Cb 1.17 0.59 -0.11 0.00 0.68 0.00 0.00 39.33 41.66 2dl6 h ASP 64 CO -0.82 -0.29 -0.32 0.54 -1.61 0.00 0.00 179.24 176.74 2dl6 n ARG 65 N -5.49 -0.21 -0.33 0.28 1.74 0.18 0.09 116.66 112.92 2dl6 n ARG 65 Ca 0.09 1.15 -0.05 0.00 -0.77 0.00 0.00 57.85 58.27 2dl6 n ARG 65 Cb 0.39 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2dl6 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2dl6 n ARG 66 N -5.07 -0.28 -0.33 5.56 5.12 -0.20 0.95 116.66 122.40 2dl6 n ARG 66 Ca 0.06 1.26 0.11 0.00 -1.93 0.00 0.00 57.85 57.35 2dl6 n ARG 66 Cb 0.28 -1.86 0.23 0.00 -1.16 0.00 0.00 32.46 29.95 2dl6 n ARG 66 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2dl6 h LYS 67 N 0.00 0.02 -6.94 5.56 6.56 -0.47 -3.40 116.57 117.89 2dl6 h LYS 67 Ca 0.21 -0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.23 2dl6 h LYS 67 Cb 0.41 -0.00 0.15 0.00 -0.57 0.00 0.00 32.23 32.21 2dl6 h LYS 67 CO -0.80 0.01 0.43 0.94 -2.06 0.00 0.00 179.45 177.97 2dl6 n GLN 68 N -5.51 1.43 -3.88 3.15 -0.06 0.27 -5.03 117.38 107.75 2dl6 n GLN 68 Ca 0.20 0.53 -0.12 0.00 -2.00 0.00 0.00 57.00 55.61 2dl6 n GLN 68 Cb 0.64 -2.41 -0.14 0.00 -4.06 0.00 0.00 30.24 24.27 2dl6 n GLN 68 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2dl6 s LYS 69 N -2.78 0.04 0.28 3.69 2.20 -1.26 -4.93 119.74 116.98 2dl6 s LYS 69 Ca 0.72 -0.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.34 2dl6 s LYS 69 Cb -0.43 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.86 2dl6 s LYS 69 CO 0.49 -0.01 0.14 -1.58 -0.36 0.00 0.00 175.35 174.04 2dl6 s TRP 70 N -0.17 2.92 0.35 4.03 0.52 -1.26 -5.09 118.94 120.25 2dl6 s TRP 70 Ca -0.02 -0.19 -0.28 0.00 0.02 0.00 0.00 56.10 55.62 2dl6 s TRP 70 Cb -0.01 -1.41 -0.11 0.00 -1.15 0.00 0.00 33.47 30.79 2dl6 s TRP 70 CO -0.00 0.49 1.43 1.14 0.02 0.00 0.00 176.95 180.03 2dl6 s GLN 71 N -3.81 4.19 0.34 4.98 -2.07 -1.26 -5.02 119.66 117.01 2dl6 s GLN 71 Ca 0.34 2.45 0.08 0.00 -1.82 0.00 0.00 55.36 56.40 2dl6 s GLN 71 Cb -0.07 -3.01 -0.03 0.00 -1.09 0.00 0.00 33.01 28.82 2dl6 s GLN 71 CO 0.23 -0.42 0.28 0.50 -1.32 0.00 0.00 175.29 174.56 2dl6 s ARG 72 N -1.86 2.68 0.45 9.60 3.52 -1.26 -5.10 118.95 126.98 2dl6 s ARG 72 Ca 0.52 -1.33 -0.22 0.00 -0.13 0.00 0.00 55.73 54.58 2dl6 s ARG 72 Cb -0.44 -2.44 -0.08 0.00 -1.56 0.00 0.00 34.95 30.42 2dl6 s ARG 72 CO 0.58 0.09 1.06 0.00 -0.81 0.00 0.00 175.30 176.23 2dl6 h LYS 74 N 1.95 1.08 -5.75 0.00 5.09 -2.06 -3.40 116.57 113.48 2dl6 h LYS 74 Ca -0.49 -0.07 -0.55 0.00 0.09 0.00 0.00 60.65 59.63 2dl6 h LYS 74 Cb 1.22 -0.24 -0.01 0.00 0.10 0.00 0.00 32.23 33.30 2dl6 h LYS 74 CO 0.60 0.72 1.56 1.63 -2.09 0.00 0.00 179.45 181.87 2dl6 n LYS 75 N -4.53 1.22 -4.59 0.07 5.02 -1.26 -4.93 118.16 109.16 2dl6 n LYS 75 Ca 0.16 0.22 -0.28 0.00 -2.02 0.00 0.00 58.31 56.40 2dl6 n LYS 75 Cb 0.23 -2.97 -0.11 0.00 -0.02 0.00 0.00 35.03 32.17 2dl6 n LYS 75 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dl6 s ASN 76 N 9.61 3.87 0.17 4.39 2.20 -1.26 -5.15 114.94 128.77 2dl6 s ASN 76 Ca 1.05 -1.33 0.07 0.00 -0.94 0.00 0.00 52.86 51.71 2dl6 s ASN 76 Cb -0.49 -0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 38.33 2dl6 s ASN 76 CO 0.36 -0.40 0.02 0.54 -2.94 0.00 0.00 177.10 174.68 2dl6 s ASN 77 N -3.70 4.90 0.55 3.54 2.20 -1.26 -5.12 114.94 116.05 2dl6 s ASN 77 Ca 0.35 -0.36 -0.15 0.00 -0.94 0.00 0.00 52.86 51.76 2dl6 s ASN 77 Cb 0.08 -1.09 -0.06 0.00 -2.00 0.00 0.00 41.25 38.18 2dl6 s ASN 77 CO 0.18 0.08 1.00 -0.55 -2.94 0.00 0.00 177.10 174.88 2dl6 s SER 78 N -2.99 6.42 0.02 3.54 0.15 -1.26 -5.08 113.70 114.49 2dl6 s SER 78 Ca 0.28 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.51 2dl6 s SER 78 Cb -0.09 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 2dl6 s SER 78 CO 0.19 -0.73 -0.03 -0.83 1.20 0.00 0.00 173.24 173.04 2dl6 s GLY 79 N -3.26 0.20 -0.54 9.45 0.00 -1.26 -5.10 107.32 106.81 2dl6 s GLY 79 Ca 0.59 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.58 2dl6 s GLY 79 CO 0.37 -0.50 1.82 2.56 0.00 0.00 0.00 173.10 177.34 2dl6 s PRO 80 N -1.09 2.83 0.41 2.90 0.04 -1.26 -4.97 135.00 133.86 2dl6 s PRO 80 Ca -0.11 0.80 0.07 0.00 0.04 0.00 0.00 61.00 61.80 2dl6 s PRO 80 Cb -0.07 -4.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 2dl6 s PRO 80 CO -0.01 -2.48 0.11 -1.54 0.04 0.00 0.00 177.00 173.12 2dl6 s SER 81 N 7.42 4.22 -0.06 6.66 1.04 -1.26 -5.14 113.70 126.57 2dl6 s SER 81 Ca 0.69 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 56.00 2dl6 s SER 81 Cb -0.15 -0.46 -0.00 0.00 0.10 0.00 0.00 66.02 65.51 2dl6 s SER 81 CO 0.24 -0.49 -0.22 -0.44 0.98 0.00 0.00 173.24 173.32 2dl6 s SER 82 N -3.82 2.73 0.00 7.02 0.01 -1.26 -5.34 113.70 113.04 2dl6 s SER 82 Ca 0.39 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2dl6 s SER 82 Cb 0.06 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.38 2dl6 s SER 82 CO 0.21 0.18 0.52 0.61 0.41 0.00 0.00 173.24 175.17