#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl1 n SER 2 N 0.00 -8.10 -3.65 1.61 7.64 -1.26 -4.36 113.62 105.50 2dl1 n SER 2 Ca 0.00 1.55 -0.41 0.00 1.01 0.00 0.00 58.87 61.02 2dl1 n SER 2 Cb 0.00 -5.13 -0.00 0.00 -1.01 0.00 0.00 64.21 58.06 2dl1 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dl1 n SER 3 N -4.26 6.12 0.00 6.43 3.41 -1.26 -4.80 113.62 119.27 2dl1 n SER 3 Ca -0.09 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 2dl1 n SER 3 Cb 0.69 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2dl1 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl1 n GLY 4 N 2.95 -2.60 3.07 5.00 0.00 -1.26 -4.78 105.19 107.57 2dl1 n GLY 4 Ca 0.54 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.67 2dl1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl1 s SER 5 N -2.19 -0.91 0.68 1.61 0.15 -1.26 -5.16 113.70 106.63 2dl1 s SER 5 Ca 0.00 0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.66 2dl1 s SER 5 Cb 0.00 1.74 0.01 0.00 -1.71 0.00 0.00 66.02 66.06 2dl1 s SER 5 CO 0.00 -0.31 1.11 -0.94 1.20 0.00 0.00 173.24 174.30 2dl1 s SER 6 N 2.74 4.94 0.25 5.45 1.04 -1.26 -4.91 113.70 121.94 2dl1 s SER 6 Ca 0.12 1.99 -0.27 0.00 0.48 0.00 0.00 55.95 58.26 2dl1 s SER 6 Cb -0.12 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.30 2dl1 s SER 6 CO -0.26 -1.74 0.63 0.61 0.98 0.00 0.00 173.24 173.46 2dl1 n GLY 7 N -0.60 -1.38 3.83 7.32 0.00 -1.26 -4.92 105.19 108.18 2dl1 n GLY 7 Ca 0.10 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2dl1 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dl1 s GLU 8 N -1.19 3.27 0.17 1.61 8.01 -1.26 -5.00 118.70 124.30 2dl1 s GLU 8 Ca 0.62 0.99 -0.30 0.00 0.01 0.00 0.00 54.97 56.29 2dl1 s GLU 8 Cb -0.83 -2.03 -0.08 0.00 -4.31 0.00 0.00 34.13 26.87 2dl1 s GLU 8 CO 0.58 -0.84 1.33 -1.25 0.01 0.00 0.00 175.26 175.08 2dl1 s PRO 9 N -4.69 4.37 0.38 0.39 0.04 -1.26 -4.88 135.00 129.36 2dl1 s PRO 9 Ca 0.59 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.86 2dl1 s PRO 9 Cb -0.14 -3.22 1.01 0.00 0.04 0.00 0.00 34.50 32.20 2dl1 s PRO 9 CO 0.47 -0.31 1.51 0.00 0.04 0.00 0.00 177.00 178.72 2dl1 h ALA 10 N 5.85 1.16 -0.08 8.56 0.00 -2.00 -0.78 119.26 131.98 2dl1 h ALA 10 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2dl1 h ALA 10 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2dl1 h ALA 10 CO 0.80 -0.16 -0.11 0.93 0.00 0.00 0.00 179.25 180.71 2dl1 h GLU 11 N 0.00 0.20 0.35 0.00 3.07 -1.94 -3.11 114.58 113.15 2dl1 h GLU 11 Ca 0.00 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 2dl1 h GLU 11 Cb 0.45 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2dl1 h GLU 11 CO 0.00 0.68 -0.17 0.82 -1.40 0.00 0.00 179.01 178.94 2dl1 h ILE 12 N -0.25 0.00 -1.61 3.13 2.04 -1.52 -2.11 117.51 117.19 2dl1 h ILE 12 Ca 0.01 -0.06 0.47 0.00 1.00 0.00 0.00 64.86 66.28 2dl1 h ILE 12 Cb 0.65 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2dl1 h ILE 12 CO 0.02 0.00 1.30 2.29 0.00 0.00 0.00 178.15 181.76 2dl1 n LYS 13 N -3.42 0.00 0.03 2.37 2.85 -1.19 0.19 118.16 118.98 2dl1 n LYS 13 Ca -0.06 1.01 -0.19 0.00 -1.05 0.00 0.00 58.31 58.03 2dl1 n LYS 13 Cb 0.18 -2.39 -0.13 0.00 -0.65 0.00 0.00 35.03 32.04 2dl1 n LYS 13 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 2dl1 h ILE 14 N 0.00 1.50 -0.21 0.58 2.04 -1.42 -3.27 117.51 116.72 2dl1 h ILE 14 Ca 0.76 -2.37 0.06 0.00 1.00 0.00 0.00 64.86 64.31 2dl1 h ILE 14 Cb 3.36 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 42.43 2dl1 h ILE 14 CO -0.01 0.67 0.15 0.40 0.00 0.00 0.00 178.15 179.36 2dl1 h ILE 15 N -0.32 0.90 0.53 -0.67 2.04 0.27 -1.31 117.51 118.95 2dl1 h ILE 15 Ca -0.11 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2dl1 h ILE 15 Cb 1.49 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2dl1 h ILE 15 CO 0.13 0.00 -0.25 0.03 0.00 0.00 0.00 178.15 178.06 2dl1 h ARG 16 N 0.02 -0.68 -0.47 2.37 2.47 -1.43 0.30 114.38 116.96 2dl1 h ARG 16 Ca 0.10 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.93 2dl1 h ARG 16 Cb 0.38 0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.80 2dl1 h ARG 16 CO -0.00 -0.45 0.16 1.49 0.56 0.00 0.00 179.97 181.72 2dl1 h GLU 17 N -0.83 0.32 -0.23 0.04 4.81 -1.57 -0.82 114.58 116.30 2dl1 h GLU 17 Ca -0.07 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2dl1 h GLU 17 Cb 0.54 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2dl1 h GLU 17 CO 0.12 0.21 -0.02 0.00 -0.73 0.00 0.00 179.01 178.59 2dl1 h ALA 18 N 1.32 1.53 -0.31 2.92 0.00 -1.28 0.71 119.26 124.15 2dl1 h ALA 18 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2dl1 h ALA 18 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2dl1 h ALA 18 CO -0.24 0.34 -0.32 -0.92 0.00 0.00 0.00 179.25 178.11 2dl1 h TYR 19 N 0.34 0.78 0.00 0.00 3.20 0.95 -2.06 116.97 120.18 2dl1 h TYR 19 Ca 0.08 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2dl1 h TYR 19 Cb 0.27 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2dl1 h TYR 19 CO 0.01 0.91 -0.01 -0.22 -1.64 0.00 0.00 178.16 177.20 2dl1 h LYS 20 N 0.57 0.00 -0.92 1.82 3.64 -0.75 -3.11 116.57 117.82 2dl1 h LYS 20 Ca 0.06 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.71 2dl1 h LYS 20 Cb 0.83 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.49 2dl1 h LYS 20 CO 0.07 0.00 0.21 0.87 -2.27 0.00 0.00 179.45 178.33 2dl1 h LYS 21 N -0.32 0.13 0.35 1.90 1.57 -1.01 0.75 116.57 119.94 2dl1 h LYS 21 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2dl1 h LYS 21 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2dl1 h LYS 21 CO 0.00 0.08 -0.28 0.00 -0.57 0.00 0.00 179.45 178.69 2dl1 h ALA 22 N 1.86 -0.63 0.00 3.86 0.00 -1.53 -1.30 119.26 121.52 2dl1 h ALA 22 Ca 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2dl1 h ALA 22 Cb 1.26 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2dl1 h ALA 22 CO -0.74 -0.88 0.00 1.19 0.00 0.00 0.00 179.25 178.82 2dl1 n PHE 23 N -5.40 0.15 0.02 0.00 3.01 0.14 -3.06 117.46 112.31 2dl1 n PHE 23 Ca -0.10 0.05 -0.04 0.00 1.01 0.00 0.00 57.45 58.38 2dl1 n PHE 23 Cb 0.31 -0.59 -0.03 0.00 -0.01 0.00 0.00 39.48 39.17 2dl1 n PHE 23 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2dl1 h LEU 24 N 0.00 -0.13 -2.21 4.37 5.85 0.14 -3.14 115.31 120.19 2dl1 h LEU 24 Ca 0.00 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2dl1 h LEU 24 Cb 0.34 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2dl1 h LEU 24 CO 0.00 0.40 0.09 -0.26 -0.34 0.00 0.00 178.44 178.33 2dl1 h PHE 25 N -1.03 0.00 0.56 1.25 0.04 -1.31 -2.67 116.94 113.78 2dl1 h PHE 25 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2dl1 h PHE 25 Cb 0.23 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.38 2dl1 h PHE 25 CO 0.03 0.00 -0.27 0.28 -0.60 0.00 0.00 178.31 177.75 2dl1 h VAL 26 N 0.00 0.38 -1.54 -0.55 2.07 -1.63 -2.69 116.25 112.29 2dl1 h VAL 26 Ca 0.05 -0.28 0.45 0.00 0.82 0.00 0.00 66.70 67.74 2dl1 h VAL 26 Cb 0.23 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2dl1 h VAL 26 CO -0.00 0.04 1.17 -1.13 0.02 0.00 0.00 177.57 177.67 2dl1 h ASN 27 N -0.94 0.00 0.19 0.57 -0.73 -1.42 -0.57 115.58 112.68 2dl1 h ASN 27 Ca -0.08 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 2dl1 h ASN 27 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.23 2dl1 h ASN 27 CO 0.13 0.00 -0.09 0.11 -0.37 0.00 0.00 177.43 177.20 2dl1 h LYS 28 N 0.00 -0.25 -0.90 6.67 1.57 -1.53 -3.20 116.57 118.92 2dl1 h LYS 28 Ca 0.73 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.67 2dl1 h LYS 28 Cb 3.07 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 35.29 2dl1 h LYS 28 CO -0.01 -0.17 -0.38 0.78 -0.57 0.00 0.00 179.45 179.10 2dl1 h GLY 29 N -0.65 -0.00 -0.25 3.86 0.00 -0.89 0.39 103.07 105.51 2dl1 h GLY 29 Ca -0.03 0.51 0.20 0.00 0.00 0.00 0.00 47.33 48.01 2dl1 h GLY 29 CO 0.04 -0.20 0.22 1.41 0.00 0.00 0.00 176.54 178.02 2dl1 h LEU 30 N -0.04 0.03 0.20 3.11 4.07 -1.57 -1.24 115.31 119.87 2dl1 h LEU 30 Ca 0.31 0.17 -0.01 0.00 0.08 0.00 0.00 57.88 58.43 2dl1 h LEU 30 Cb 0.58 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2dl1 h LEU 30 CO -0.92 -0.08 -0.10 -1.13 -1.08 0.00 0.00 178.44 175.13 2dl1 h ASN 31 N 0.26 -0.23 -0.82 -0.43 -1.24 -0.27 -2.99 115.58 109.85 2dl1 h ASN 31 Ca 0.49 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.64 2dl1 h ASN 31 Cb 0.91 0.06 -0.13 0.00 0.73 0.00 0.00 38.32 39.89 2dl1 h ASN 31 CO -0.58 -0.14 -0.31 0.35 -1.29 0.00 0.00 177.43 175.47 2dl1 n THR 32 N -2.90 -0.42 -0.31 -3.57 -2.24 -0.60 0.19 114.28 104.42 2dl1 n THR 32 Ca -0.03 1.92 0.12 0.00 -2.27 0.00 0.00 64.05 63.79 2dl1 n THR 32 Cb 0.11 -2.55 0.30 0.00 -2.10 0.00 0.00 70.33 66.09 2dl1 n THR 32 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2dl1 h ASP 33 N 0.00 0.49 -0.18 3.42 1.82 -1.28 0.16 116.42 120.84 2dl1 h ASP 33 Ca 0.30 0.13 -0.17 0.00 -0.39 0.00 0.00 57.03 56.90 2dl1 h ASP 33 Cb 0.50 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 2dl1 h ASP 33 CO -0.82 0.10 -0.50 1.05 -1.61 0.00 0.00 179.24 177.46 2dl1 h GLU 34 N 0.52 0.76 0.00 0.28 4.11 0.22 -2.98 114.58 117.49 2dl1 h GLU 34 Ca 0.55 -0.46 -0.05 0.00 0.07 0.00 0.00 59.36 59.47 2dl1 h GLU 34 Cb 0.98 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2dl1 h GLU 34 CO -0.46 1.08 -0.26 -0.07 0.07 0.00 0.00 179.01 179.37 2dl1 h LEU 35 N 0.60 0.00 0.00 3.06 4.07 0.98 -3.46 115.31 120.55 2dl1 h LEU 35 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2dl1 h LEU 35 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2dl1 h LEU 35 CO 0.11 0.26 0.00 0.61 -1.08 0.00 0.00 178.44 178.34 2dl1 n GLY 36 N -0.50 1.16 2.91 0.83 0.00 0.25 -5.08 105.19 104.76 2dl1 n GLY 36 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2dl1 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dl1 s GLN 37 N -0.09 2.16 0.48 1.61 -1.52 -0.72 -4.91 119.66 116.66 2dl1 s GLN 37 Ca 0.00 -2.92 0.32 0.00 -1.95 0.00 0.00 55.36 50.81 2dl1 s GLN 37 Cb 0.00 -3.31 1.55 0.00 -0.22 0.00 0.00 33.01 31.03 2dl1 s GLN 37 CO 0.00 -1.19 1.97 0.87 -0.25 0.00 0.00 175.29 176.69 2dl1 h LYS 38 N 6.01 0.00 0.00 2.91 1.79 -1.90 -2.45 116.57 122.93 2dl1 h LYS 38 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2dl1 h LYS 38 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2dl1 h LYS 38 CO 0.69 0.00 -0.01 0.93 -1.08 0.00 0.00 179.45 179.99 2dl1 h GLU 39 N 0.00 0.00 -0.89 3.15 5.08 -1.97 -3.29 114.58 116.66 2dl1 h GLU 39 Ca 0.00 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 2dl1 h GLU 39 Cb 0.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 2dl1 h GLU 39 CO 0.00 0.00 0.20 0.93 -1.00 0.00 0.00 179.01 179.14 2dl1 h GLU 40 N -0.03 0.16 0.00 2.33 5.08 -1.98 -2.14 114.58 117.99 2dl1 h GLU 40 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dl1 h GLU 40 Cb 0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2dl1 h GLU 40 CO 0.00 0.10 -0.02 0.00 -1.00 0.00 0.00 179.01 178.09 2dl1 h ALA 41 N 1.81 -0.52 -0.87 3.43 0.00 -1.62 -1.84 119.26 119.65 2dl1 h ALA 41 Ca 0.56 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.62 2dl1 h ALA 41 Cb 1.14 0.52 -0.15 0.00 0.00 0.00 0.00 17.79 19.30 2dl1 h ALA 41 CO -0.70 -0.52 -0.27 1.63 0.00 0.00 0.00 179.25 179.38 2dl1 n LYS 42 N -2.63 -0.14 0.04 0.00 5.02 -0.83 -0.52 118.16 119.10 2dl1 n LYS 42 Ca -0.00 1.35 -0.13 0.00 -2.02 0.00 0.00 58.31 57.51 2dl1 n LYS 42 Cb 0.02 -2.01 -0.08 0.00 -0.02 0.00 0.00 35.03 32.93 2dl1 n LYS 42 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2dl1 h ASN 43 N 0.00 -1.37 -0.57 4.39 -1.24 -1.19 0.12 115.58 115.72 2dl1 h ASN 43 Ca 0.36 0.15 0.10 0.00 0.71 0.00 0.00 56.30 57.63 2dl1 h ASN 43 Cb 0.58 0.52 -0.11 0.00 0.73 0.00 0.00 38.32 40.04 2dl1 h ASN 43 CO -0.88 -0.43 -0.35 1.88 -1.29 0.00 0.00 177.43 176.36 2dl1 h TYR 44 N -0.54 -0.99 -0.89 0.67 0.05 0.01 0.28 116.97 115.56 2dl1 h TYR 44 Ca 0.01 0.07 0.10 0.00 0.05 0.00 0.00 58.73 58.97 2dl1 h TYR 44 Cb 0.59 0.52 -0.07 0.00 1.01 0.00 0.00 36.73 38.78 2dl1 h TYR 44 CO -0.50 -0.39 0.57 1.88 -1.05 0.00 0.00 178.16 178.68 2dl1 h TYR 45 N -0.18 0.94 0.00 4.88 0.05 -0.84 0.31 116.97 122.13 2dl1 h TYR 45 Ca 0.22 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.02 2dl1 h TYR 45 Cb 0.55 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2dl1 h TYR 45 CO -0.64 0.42 0.00 0.87 -1.05 0.00 0.00 178.16 177.76 2dl1 h LYS 46 N 0.86 0.00 0.00 4.88 1.57 0.22 -1.13 116.57 122.97 2dl1 h LYS 46 Ca 0.42 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.04 2dl1 h LYS 46 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2dl1 h LYS 46 CO -0.18 0.00 -1.22 1.04 -0.57 0.00 0.00 179.45 178.52 2dl1 n GLN 47 N -2.70 0.53 0.30 3.15 6.02 0.89 -4.12 117.38 121.46 2dl1 n GLN 47 Ca 0.00 0.42 0.17 0.00 -0.01 0.00 0.00 57.00 57.59 2dl1 n GLN 47 Cb 0.21 -1.61 0.96 0.00 1.02 0.00 0.00 30.24 30.81 2dl1 n GLN 47 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2dl1 h GLY 48 N -1.00 0.00 0.98 1.08 0.00 -0.98 -2.35 103.07 100.80 2dl1 h GLY 48 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2dl1 h GLY 48 CO -0.14 0.00 -0.15 -2.22 0.00 0.00 0.00 176.54 174.03 2dl1 h ILE 49 N 0.00 1.28 -0.29 2.60 2.04 -1.39 -1.90 117.51 119.84 2dl1 h ILE 49 Ca -0.00 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 2dl1 h ILE 49 Cb 0.12 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2dl1 h ILE 49 CO 0.00 0.42 -0.19 1.23 0.00 0.00 0.00 178.15 179.61 2dl1 h GLY 50 N 0.56 0.57 1.47 5.37 0.00 -1.58 -2.92 103.07 106.54 2dl1 h GLY 50 Ca 0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 2dl1 h GLY 50 CO 0.05 0.40 -0.64 0.45 0.00 0.00 0.00 176.54 176.79 2dl1 h HIS 51 N 0.48 0.70 0.32 5.60 3.86 -1.46 -2.91 115.15 121.75 2dl1 h HIS 51 Ca 0.08 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2dl1 h HIS 51 Cb 0.60 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 2dl1 h HIS 51 CO 0.02 1.03 -0.38 -0.07 0.86 0.00 0.00 177.93 179.40 2dl1 h LEU 52 N 0.39 -1.04 -0.03 2.43 3.38 -1.16 -2.86 115.31 116.43 2dl1 h LEU 52 Ca -0.01 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2dl1 h LEU 52 Cb 1.21 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 2dl1 h LEU 52 CO 0.12 -0.51 -0.11 -0.07 0.09 0.00 0.00 178.44 177.96 2dl1 h LEU 53 N -0.74 -0.33 -1.94 1.67 3.38 -1.61 -1.08 115.31 114.67 2dl1 h LEU 53 Ca -0.02 0.05 0.51 0.00 0.09 0.00 0.00 57.88 58.52 2dl1 h LEU 53 Cb 0.68 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 2dl1 h LEU 53 CO -0.10 -0.16 1.30 -0.09 0.09 0.00 0.00 178.44 179.49 2dl1 h ARG 54 N -0.17 0.00 0.00 1.13 2.43 -1.32 1.62 114.38 118.06 2dl1 h ARG 54 Ca 0.05 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2dl1 h ARG 54 Cb 0.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2dl1 h ARG 54 CO -0.13 0.00 -1.83 0.41 -1.51 0.00 0.00 179.97 176.91 2dl1 n GLY 55 N -1.88 -1.10 0.81 2.80 0.00 -0.55 -3.93 105.19 101.33 2dl1 n GLY 55 Ca 0.39 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2dl1 n GLY 55 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dl1 n ILE 56 N -2.53 0.26 -1.94 -0.61 5.41 0.50 -4.00 119.36 116.45 2dl1 n ILE 56 Ca -0.10 -0.49 0.05 0.00 1.00 0.00 0.00 62.75 63.20 2dl1 n ILE 56 Cb 0.73 0.74 0.08 0.00 -0.71 0.00 0.00 39.64 40.49 2dl1 n ILE 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dl1 n SER 57 N 0.84 1.18 0.00 4.38 2.88 0.17 -4.97 113.62 118.10 2dl1 n SER 57 Ca 0.17 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 2dl1 n SER 57 Cb 0.46 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2dl1 n SER 57 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2dl1 n ILE 58 N -0.33 0.00 0.00 2.46 2.08 -1.25 -4.98 119.36 117.34 2dl1 n ILE 58 Ca 0.10 0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.59 2dl1 n ILE 58 Cb 0.86 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 2dl1 n ILE 58 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2dl1 n SER 59 N 0.00 0.00 0.00 4.38 7.64 -1.26 -5.05 113.62 119.33 2dl1 n SER 59 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dl1 n SER 59 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dl1 n SER 59 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dl1 n SER 60 N 0.00 1.07 0.00 6.43 7.64 -1.26 -4.59 113.62 122.90 2dl1 n SER 60 Ca 0.00 -1.08 0.13 0.00 1.01 0.00 0.00 58.87 58.93 2dl1 n SER 60 Cb 0.00 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 63.94 2dl1 n SER 60 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dl1 n LYS 61 N -0.04 0.67 -3.17 1.43 5.02 -1.26 -4.27 118.16 116.54 2dl1 n LYS 61 Ca 0.00 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 2dl1 n LYS 61 Cb 0.02 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 2dl1 n LYS 61 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2dl1 s GLU 62 N -2.20 0.84 0.09 1.97 -6.30 -1.26 -5.14 118.70 106.69 2dl1 s GLU 62 Ca 0.34 -0.87 -0.03 0.00 -2.50 0.00 0.00 54.97 51.92 2dl1 s GLU 62 Cb 0.18 -0.38 0.01 0.00 0.00 0.00 0.00 34.13 33.94 2dl1 s GLU 62 CO 0.33 -1.25 0.16 0.43 0.02 0.00 0.00 175.26 174.95 2dl1 n SER 63 N 3.81 -0.46 -0.06 -1.70 7.64 -1.26 -5.06 113.62 116.53 2dl1 n SER 63 Ca 0.15 -1.37 -0.14 0.00 1.01 0.00 0.00 58.87 58.52 2dl1 n SER 63 Cb 0.52 0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 64.43 2dl1 n SER 63 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2dl1 h GLU 64 N 0.00 0.43 0.00 1.43 5.08 -2.00 -3.49 114.58 116.03 2dl1 h GLU 64 Ca -0.07 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2dl1 h GLU 64 Cb 0.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dl1 h GLU 64 CO 0.09 0.84 0.00 1.58 -1.00 0.00 0.00 179.01 180.52 2dl1 n HIS 65 N -4.46 -1.82 -1.69 4.33 -0.00 -1.26 -5.02 115.22 105.30 2dl1 n HIS 65 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2dl1 n HIS 65 Cb 0.42 0.28 0.00 0.00 -0.12 0.00 0.00 29.99 30.57 2dl1 n HIS 65 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 2dl1 n THR 66 N -1.65 -5.45 0.00 3.57 -2.24 -1.26 -4.97 114.28 102.29 2dl1 n THR 66 Ca 0.00 2.50 0.00 0.00 -2.27 0.00 0.00 64.05 64.28 2dl1 n THR 66 Cb 0.00 -3.47 0.00 0.00 -2.10 0.00 0.00 70.33 64.76 2dl1 n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dl1 n GLY 67 N -1.01 2.28 0.00 3.38 0.00 -1.26 -4.69 105.19 103.89 2dl1 n GLY 67 Ca 0.00 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.14 2dl1 n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl1 n PRO 68 N 1.30 0.06 0.02 1.61 -0.04 -1.26 -3.56 135.00 133.13 2dl1 n PRO 68 Ca 0.00 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 2dl1 n PRO 68 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2dl1 n PRO 68 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2dl1 h GLY 69 N 2.44 -0.07 1.82 0.55 0.00 -1.98 -3.20 103.07 102.64 2dl1 h GLY 69 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2dl1 h GLY 69 CO 0.00 -0.02 0.07 1.49 0.00 0.00 0.00 176.54 178.08 2dl1 h TRP 70 N -0.08 0.00 0.02 5.60 4.06 -1.84 -2.93 115.95 120.77 2dl1 h TRP 70 Ca -0.01 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2dl1 h TRP 70 Cb 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.17 2dl1 h TRP 70 CO 0.15 0.00 -0.42 1.49 -3.56 0.00 0.00 178.44 176.10 2dl1 h GLU 71 N 0.00 -0.52 -0.53 0.49 4.81 -1.60 0.22 114.58 117.44 2dl1 h GLU 71 Ca 0.03 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2dl1 h GLU 71 Cb 0.17 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2dl1 h GLU 71 CO -0.00 -0.35 0.18 0.77 -0.73 0.00 0.00 179.01 178.88 2dl1 h SER 72 N -0.54 0.15 -0.38 1.04 0.02 -1.54 0.02 113.55 112.32 2dl1 h SER 72 Ca 0.01 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 2dl1 h SER 72 Cb 0.57 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2dl1 h SER 72 CO -0.27 0.11 0.26 0.00 -1.14 0.00 0.00 176.83 175.79 2dl1 h ALA 73 N 1.37 2.06 0.00 3.77 0.00 -1.45 0.33 119.26 125.34 2dl1 h ALA 73 Ca 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2dl1 h ALA 73 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dl1 h ALA 73 CO -0.28 -0.14 -0.50 0.00 0.00 0.00 0.00 179.25 178.32 2dl1 h ARG 74 N 0.23 0.00 0.05 0.00 3.08 0.13 -2.88 114.38 114.99 2dl1 h ARG 74 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 2dl1 h ARG 74 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.45 2dl1 h ARG 74 CO -0.03 0.50 -0.47 1.96 -1.07 0.00 0.00 179.97 180.86 2dl1 h GLN 75 N 0.00 0.23 0.00 0.04 1.08 -0.19 -2.78 115.11 113.48 2dl1 h GLN 75 Ca -0.01 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2dl1 h GLN 75 Cb 1.16 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2dl1 h GLN 75 CO 0.07 1.08 0.00 0.52 -0.95 0.00 0.00 178.83 179.55 2dl1 h MET 76 N -0.47 0.00 0.00 1.46 2.86 -1.30 -3.07 114.93 114.41 2dl1 h MET 76 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2dl1 h MET 76 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2dl1 h MET 76 CO 0.09 0.00 -0.05 1.96 1.06 0.00 0.00 176.91 179.97 2dl1 h GLN 77 N 0.00 0.00 -1.71 1.72 4.20 -1.53 -3.19 115.11 114.60 2dl1 h GLN 77 Ca 0.00 0.00 0.50 0.00 0.06 0.00 0.00 58.65 59.21 2dl1 h GLN 77 Cb 0.26 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 2dl1 h GLN 77 CO 0.00 0.00 1.22 0.37 -0.67 0.00 0.00 178.83 179.75 2dl1 h GLN 78 N -0.79 0.01 0.33 1.46 4.15 -1.48 0.20 115.11 118.99 2dl1 h GLN 78 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2dl1 h GLN 78 Cb 0.05 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2dl1 h GLN 78 CO 0.00 0.00 -0.16 -0.22 -1.93 0.00 0.00 178.83 176.52 2dl1 h LYS 79 N 0.01 -0.43 -0.47 1.69 1.63 -1.65 -2.91 116.57 114.44 2dl1 h LYS 79 Ca 0.82 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 60.75 2dl1 h LYS 79 Cb 3.26 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 34.90 2dl1 h LYS 79 CO -0.03 -0.13 -0.16 0.52 -3.45 0.00 0.00 179.45 176.19 2dl1 h MET 80 N -0.98 -0.06 -0.37 1.90 2.86 -0.62 -0.37 114.93 117.30 2dl1 h MET 80 Ca -0.05 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 2dl1 h MET 80 Cb 0.50 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 2dl1 h MET 80 CO 0.07 -0.04 -0.22 0.87 1.06 0.00 0.00 176.91 178.66 2dl1 h LYS 81 N -0.06 -0.16 0.00 1.72 1.57 -1.45 0.78 116.57 118.97 2dl1 h LYS 81 Ca 0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2dl1 h LYS 81 Cb 0.40 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2dl1 h LYS 81 CO -0.51 -0.11 0.00 0.93 -0.57 0.00 0.00 179.45 179.19 2dl1 h GLU 82 N -0.16 0.00 0.00 3.15 4.39 -1.08 -1.84 114.58 119.03 2dl1 h GLU 82 Ca 0.18 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 2dl1 h GLU 82 Cb 0.45 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2dl1 h GLU 82 CO -0.47 0.00 -1.56 2.41 -1.16 0.00 0.00 179.01 178.24 2dl1 n THR 83 N -2.77 1.08 0.38 1.13 -1.04 0.14 -3.93 114.28 109.27 2dl1 n THR 83 Ca -0.01 -0.69 -0.16 0.00 -2.04 0.00 0.00 64.05 61.15 2dl1 n THR 83 Cb 0.16 -0.62 -0.08 0.00 -1.82 0.00 0.00 70.33 67.97 2dl1 n THR 83 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2dl1 h LEU 84 N 0.00 -0.84 -0.97 -4.42 5.85 0.12 -2.36 115.31 112.68 2dl1 h LEU 84 Ca -0.18 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.70 2dl1 h LEU 84 Cb 1.58 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 42.73 2dl1 h LEU 84 CO 0.04 -0.49 0.59 0.06 -0.34 0.00 0.00 178.44 178.30 2dl1 h GLN 85 N -1.20 0.80 0.00 1.25 3.07 -1.75 0.56 115.11 117.85 2dl1 h GLN 85 Ca -0.10 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.59 2dl1 h GLN 85 Cb 0.78 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.16 2dl1 h GLN 85 CO 0.17 0.53 0.00 -0.97 0.09 0.00 0.00 178.83 178.65 2dl1 h ASN 86 N 0.82 0.00 0.00 0.06 -1.24 -1.66 -3.12 115.58 110.45 2dl1 h ASN 86 Ca 0.53 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.47 2dl1 h ASN 86 Cb 0.70 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 2dl1 h ASN 86 CO -0.34 0.00 -0.94 0.52 -1.29 0.00 0.00 177.43 175.39 2dl1 n VAL 87 N -2.79 1.47 -0.57 2.57 0.31 0.17 -4.01 118.33 115.47 2dl1 n VAL 87 Ca -0.00 0.11 0.46 0.00 -0.01 0.00 0.00 64.34 64.90 2dl1 n VAL 87 Cb 0.19 -2.30 0.70 0.00 -0.91 0.00 0.00 33.84 31.53 2dl1 n VAL 87 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2dl1 n ARG 88 N -4.51 0.00 0.04 5.55 0.63 0.45 0.23 116.66 119.06 2dl1 n ARG 88 Ca -0.16 1.05 -0.20 0.00 -0.92 0.00 0.00 57.85 57.61 2dl1 n ARG 88 Cb 0.45 -2.47 -0.11 0.00 0.45 0.00 0.00 32.46 30.78 2dl1 n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dl1 h THR 89 N 0.00 1.30 -0.38 5.15 1.03 -1.72 -3.08 112.91 115.20 2dl1 h THR 89 Ca 0.80 -2.25 -0.02 0.00 -0.01 0.00 0.00 66.41 64.94 2dl1 h THR 89 Cb 3.49 2.45 -0.02 0.00 -1.07 0.00 0.00 68.15 73.00 2dl1 h THR 89 CO -0.01 0.69 0.17 0.03 -0.01 0.00 0.00 175.52 176.40 2dl1 h ARG 90 N 0.32 0.55 0.00 0.00 2.47 0.27 -1.73 114.38 116.26 2dl1 h ARG 90 Ca -0.13 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.49 2dl1 h ARG 90 Cb 1.68 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.90 2dl1 h ARG 90 CO 0.20 0.50 -0.05 1.25 0.56 0.00 0.00 179.97 182.42 2dl1 h LEU 91 N 0.47 0.00 -0.03 3.04 5.85 -1.49 -2.37 115.31 120.78 2dl1 h LEU 91 Ca 0.13 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 2dl1 h LEU 91 Cb 0.14 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.18 2dl1 h LEU 91 CO -0.01 0.05 -0.56 -0.33 -0.34 0.00 0.00 178.44 177.25 2dl1 h GLU 92 N 0.00 0.44 0.00 1.25 4.39 -1.32 -2.66 114.58 116.68 2dl1 h GLU 92 Ca -0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2dl1 h GLU 92 Cb 0.10 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2dl1 h GLU 92 CO 0.01 1.08 0.00 -0.89 -1.16 0.00 0.00 179.01 178.05 2dl1 n ILE 93 N -4.23 1.02 -0.09 3.13 5.41 -0.71 -1.65 119.36 122.25 2dl1 n ILE 93 Ca -0.10 0.43 -0.13 0.00 1.00 0.00 0.00 62.75 63.95 2dl1 n ILE 93 Cb 0.65 -1.37 -0.07 0.00 -0.71 0.00 0.00 39.64 38.13 2dl1 n ILE 93 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2dl1 h LEU 94 N 0.00 0.00 -1.58 1.39 3.38 -1.38 -3.31 115.31 113.81 2dl1 h LEU 94 Ca 0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2dl1 h LEU 94 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2dl1 h LEU 94 CO 0.00 1.11 0.22 -0.33 0.09 0.00 0.00 178.44 179.53 2dl1 h GLU 95 N -1.00 0.49 0.00 1.13 5.08 -1.37 -0.66 114.58 118.26 2dl1 h GLU 95 Ca -0.17 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2dl1 h GLU 95 Cb 0.90 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2dl1 h GLU 95 CO -0.10 0.35 -0.16 1.57 -1.00 0.00 0.00 179.01 179.67 2dl1 h LYS 96 N 0.50 0.00 0.00 2.33 5.09 -1.49 -2.79 116.57 120.22 2dl1 h LYS 96 Ca 0.13 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.58 2dl1 h LYS 96 Cb -0.01 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.27 2dl1 h LYS 96 CO -0.02 0.16 -1.69 0.78 -2.09 0.00 0.00 179.45 176.59 2dl1 h GLY 97 N 0.90 0.01 -7.35 0.07 0.00 -1.25 -3.43 103.07 92.01 2dl1 h GLY 97 Ca -0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 47.33 46.68 2dl1 h GLY 97 CO 0.02 0.02 -0.70 0.48 0.00 0.00 0.00 176.54 176.36 2dl1 s LEU 98 N -6.14 3.75 0.01 3.11 2.34 -0.61 -4.86 118.68 116.28 2dl1 s LEU 98 Ca -0.05 -2.45 0.00 0.00 0.06 0.00 0.00 54.13 51.70 2dl1 s LEU 98 Cb 0.08 -1.37 0.00 0.00 -0.56 0.00 0.00 46.19 44.34 2dl1 s LEU 98 CO 0.82 -0.31 0.00 0.00 -1.06 0.00 0.00 176.35 175.80 2dl1 n ALA 99 N 3.83 0.00 -0.67 1.48 0.00 -1.23 -4.64 120.51 119.29 2dl1 n ALA 99 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2dl1 n ALA 99 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2dl1 n ALA 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dl1 n THR 100 N -2.16 0.00 -3.28 0.00 -1.04 -1.26 -3.07 114.28 103.47 2dl1 n THR 100 Ca 0.00 1.12 -0.45 0.00 -2.04 0.00 0.00 64.05 62.68 2dl1 n THR 100 Cb 0.00 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 2dl1 n THR 100 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2dl1 n SER 101 N -1.60 5.50 -4.52 8.00 2.88 -1.26 -4.99 113.62 117.63 2dl1 n SER 101 Ca 0.00 -3.04 -0.35 0.00 -1.33 0.00 0.00 58.87 54.15 2dl1 n SER 101 Cb 0.00 -1.41 -0.11 0.00 -0.75 0.00 0.00 64.21 61.94 2dl1 n SER 101 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2dl1 n LEU 102 N 3.08 0.89 0.12 2.46 7.94 -1.17 -4.78 117.00 125.54 2dl1 n LEU 102 Ca 0.26 -0.26 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 2dl1 n LEU 102 Cb 0.39 -1.16 -0.08 0.00 0.53 0.00 0.00 43.42 43.10 2dl1 n LEU 102 CO 0.50 -1.23 0.69 1.56 -1.11 0.00 0.00 177.39 177.80 2dl1 h GLN 103 N 14.53 -0.27 -5.69 1.96 1.08 -1.94 -3.49 115.11 121.29 2dl1 h GLN 103 Ca -0.10 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2dl1 h GLN 103 Cb 1.25 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 2dl1 h GLN 103 CO 1.31 -0.04 -0.82 0.09 -0.95 0.00 0.00 178.83 178.42 2dl1 n ASN 104 N -5.13 -5.17 -4.19 1.46 4.13 -1.26 -5.02 115.26 100.09 2dl1 n ASN 104 Ca -0.09 1.06 -0.24 0.00 1.68 0.00 0.00 54.58 56.99 2dl1 n ASN 104 Cb 0.20 -3.27 -0.15 0.00 -1.54 0.00 0.00 39.78 35.02 2dl1 n ASN 104 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2dl1 s ASP 105 N -0.60 2.13 1.06 6.41 1.47 -1.26 -5.14 116.67 120.74 2dl1 s ASP 105 Ca -0.09 -0.39 -0.16 0.00 1.18 0.00 0.00 52.55 53.08 2dl1 s ASP 105 Cb 0.01 -0.21 0.14 0.00 -0.34 0.00 0.00 42.92 42.52 2dl1 s ASP 105 CO 0.36 0.18 0.14 0.18 0.68 0.00 0.00 175.17 176.71 2dl1 n LEU 106 N 2.34 -1.72 0.00 2.11 4.32 -1.26 -5.04 117.00 117.74 2dl1 n LEU 106 Ca -0.16 -0.30 -0.05 0.00 -0.02 0.00 0.00 56.01 55.48 2dl1 n LEU 106 Cb 0.54 -0.82 -0.01 0.00 -1.62 0.00 0.00 43.42 41.51 2dl1 n LEU 106 CO 0.24 -3.20 -0.04 1.67 -1.22 0.00 0.00 177.39 174.84 2dl1 n GLN 107 N -1.80 1.80 -3.18 3.23 0.00 -1.26 -5.15 117.38 111.01 2dl1 n GLN 107 Ca 0.04 -0.56 -0.25 0.00 -0.00 0.00 0.00 57.00 56.23 2dl1 n GLN 107 Cb 0.47 0.15 -0.01 0.00 0.00 0.00 0.00 30.24 30.85 2dl1 n GLN 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2dl1 s GLU 108 N -2.28 3.51 0.49 3.69 2.02 -1.26 -5.07 118.70 119.80 2dl1 s GLU 108 Ca 0.00 -0.17 -0.21 0.00 0.02 0.00 0.00 54.97 54.62 2dl1 s GLU 108 Cb -0.00 -2.59 -0.08 0.00 0.10 0.00 0.00 34.13 31.57 2dl1 s GLU 108 CO 0.00 0.06 1.07 0.14 0.02 0.00 0.00 175.26 176.56 2dl1 s VAL 109 N -2.41 3.56 0.37 2.63 -7.23 -1.26 -5.01 120.40 111.06 2dl1 s VAL 109 Ca 0.42 1.01 -0.27 0.00 -1.81 0.00 0.00 61.98 61.33 2dl1 s VAL 109 Cb -0.10 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.33 2dl1 s VAL 109 CO 0.38 -0.18 1.20 -2.16 -0.31 0.00 0.00 175.10 174.03 2dl1 s PRO 110 N -3.14 4.19 -0.34 4.82 0.04 -1.26 -4.97 135.00 134.33 2dl1 s PRO 110 Ca 0.68 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.72 2dl1 s PRO 110 Cb -0.20 -2.83 0.45 0.00 0.04 0.00 0.00 34.50 31.96 2dl1 s PRO 110 CO 0.23 -0.24 1.25 -1.13 0.04 0.00 0.00 177.00 177.15 2dl1 n SER 111 N 0.38 5.12 -4.09 6.66 3.41 -1.26 -4.94 113.62 118.89 2dl1 n SER 111 Ca 0.03 -3.75 -0.29 0.00 -0.26 0.00 0.00 58.87 54.59 2dl1 n SER 111 Cb 0.45 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2dl1 n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl1 n GLY 112 N -0.69 -0.27 3.57 5.00 0.00 -1.26 -4.79 105.19 106.75 2dl1 n GLY 112 Ca 0.45 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 2dl1 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl1 s PRO 113 N -6.79 2.52 0.39 1.61 0.04 -1.26 -4.90 135.00 126.61 2dl1 s PRO 113 Ca 0.22 -0.77 0.04 0.00 0.04 0.00 0.00 61.00 60.53 2dl1 s PRO 113 Cb -0.12 -5.16 -0.05 0.00 0.04 0.00 0.00 34.50 29.21 2dl1 s PRO 113 CO 0.92 -3.71 0.06 0.45 0.04 0.00 0.00 177.00 174.76 2dl1 s SER 114 N 7.20 3.02 -0.27 6.66 0.15 -1.26 -5.15 113.70 124.05 2dl1 s SER 114 Ca 0.69 -1.50 -0.01 0.00 0.70 0.00 0.00 55.95 55.83 2dl1 s SER 114 Cb -0.03 0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.54 2dl1 s SER 114 CO 0.07 -0.71 0.43 -0.94 1.20 0.00 0.00 173.24 173.29 2dl1 s SER 115 N -3.62 -0.07 0.00 5.45 1.04 -1.26 -5.26 113.70 109.98 2dl1 s SER 115 Ca 0.28 0.20 0.17 0.00 0.48 0.00 0.00 55.95 57.08 2dl1 s SER 115 Cb 0.06 1.33 1.02 0.00 0.10 0.00 0.00 66.02 68.53 2dl1 s SER 115 CO 0.14 -0.31 1.43 0.61 0.98 0.00 0.00 173.24 176.09