#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh6 s GLU 2 N 0.00 4.44 0.60 1.64 2.12 -1.26 -5.02 118.70 121.22 3dh6 s GLU 2 Ca 0.00 1.90 -0.17 0.00 0.36 0.00 0.00 54.97 57.06 3dh6 s GLU 2 Cb 0.00 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 3dh6 s GLU 2 CO 0.00 -0.21 1.09 0.95 -0.54 0.00 0.00 175.26 176.56 3dh6 s THR 3 N 0.46 3.42 0.47 -1.70 -4.23 -1.26 -4.85 115.64 107.95 3dh6 s THR 3 Ca 0.57 0.73 0.25 0.00 -1.18 0.00 0.00 61.69 62.06 3dh6 s THR 3 Cb -0.33 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.54 3dh6 s THR 3 CO 0.34 -0.34 2.10 0.00 -0.54 0.00 0.00 174.62 176.18 3dh6 h ALA 4 N 0.55 1.46 -0.00 3.99 0.00 -1.95 0.10 119.26 123.41 3dh6 h ALA 4 Ca -0.48 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 3dh6 h ALA 4 Cb 1.24 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3dh6 h ALA 4 CO 0.56 0.12 -0.70 0.00 0.00 0.00 0.00 179.25 179.23 3dh6 h ALA 5 N 1.90 0.09 0.00 0.00 0.00 -1.90 -3.15 119.26 116.20 3dh6 h ALA 5 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 3dh6 h ALA 5 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dh6 h ALA 5 CO 0.01 0.43 -0.49 0.00 0.00 0.00 0.00 179.25 179.20 3dh6 h ALA 6 N 0.34 0.88 -0.52 0.00 0.00 -1.80 -2.88 119.26 115.28 3dh6 h ALA 6 Ca -0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3dh6 h ALA 6 Cb 1.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3dh6 h ALA 6 CO 0.14 0.62 -0.13 -0.22 0.00 0.00 0.00 179.25 179.66 3dh6 h LYS 7 N 0.00 0.99 -0.60 0.00 3.64 -1.08 -1.36 116.57 118.16 3dh6 h LYS 7 Ca -0.00 -0.37 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 3dh6 h LYS 7 Cb 1.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 3dh6 h LYS 7 CO 0.06 1.04 -0.00 0.35 -2.27 0.00 0.00 179.45 178.64 3dh6 h PHE 8 N 0.87 1.16 -0.45 1.91 3.04 -1.50 -2.17 116.94 119.80 3dh6 h PHE 8 Ca 0.13 -0.20 -0.09 0.00 3.98 0.00 0.00 57.97 61.80 3dh6 h PHE 8 Cb 0.69 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 3dh6 h PHE 8 CO 0.04 1.02 -0.07 0.93 -2.02 0.00 0.00 178.31 178.21 3dh6 h GLU 9 N 0.97 0.80 -0.13 1.11 5.08 -1.32 0.66 114.58 121.75 3dh6 h GLU 9 Ca 0.17 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 3dh6 h GLU 9 Cb 0.56 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3dh6 h GLU 9 CO 0.03 0.85 -0.70 -0.09 -1.00 0.00 0.00 179.01 178.11 3dh6 h ARG 10 N 0.73 0.55 0.06 2.33 2.43 -1.18 -3.07 114.38 116.22 3dh6 h ARG 10 Ca 0.13 -0.42 -0.31 0.00 -0.81 0.00 0.00 59.98 58.57 3dh6 h ARG 10 Cb 0.55 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 3dh6 h ARG 10 CO 0.03 1.04 -1.69 1.96 -1.51 0.00 0.00 179.97 179.81 3dh6 h GLN 11 N 0.39 0.13 0.00 0.20 4.20 -1.27 -3.42 115.11 115.33 3dh6 h GLN 11 Ca -0.03 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3dh6 h GLN 11 Cb 1.28 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.14 3dh6 h GLN 11 CO 0.13 0.86 0.00 0.72 -0.67 0.00 0.00 178.83 179.87 3dh6 n HIS 12 N -3.27 0.00 -4.88 2.96 8.25 0.21 -4.56 115.22 113.93 3dh6 n HIS 12 Ca -0.19 -0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 56.61 3dh6 n HIS 12 Cb 1.04 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.96 3dh6 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3dh6 s MET 13 N -0.66 3.15 -0.44 -0.41 -1.94 -1.16 -0.79 119.30 117.05 3dh6 s MET 13 Ca 0.00 -0.81 0.05 0.00 -1.71 0.00 0.00 55.69 53.22 3dh6 s MET 13 Cb 0.00 -2.46 0.17 0.00 2.01 0.00 0.00 34.83 34.55 3dh6 s MET 13 CO 0.00 0.11 0.49 0.34 -0.01 0.00 0.00 175.02 175.96 3dh6 s ASP 14 N 0.54 0.25 0.00 3.03 2.15 -0.02 -4.84 116.67 117.78 3dh6 s ASP 14 Ca -0.12 -2.25 0.28 0.00 0.43 0.00 0.00 52.55 50.89 3dh6 s ASP 14 Cb -0.17 0.66 1.07 0.00 -0.30 0.00 0.00 42.92 44.18 3dh6 s ASP 14 CO 0.04 -0.14 1.77 -1.20 -0.17 0.00 0.00 175.17 175.47 3dh6 n SER 15 N 3.18 0.46 0.03 -0.34 7.64 -1.26 -4.01 113.62 119.32 3dh6 n SER 15 Ca 0.22 -0.40 -0.04 0.00 1.01 0.00 0.00 58.87 59.65 3dh6 n SER 15 Cb 0.50 -0.06 0.18 0.00 -1.01 0.00 0.00 64.21 63.82 3dh6 n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dh6 h SER 16 N 0.46 0.46 -3.35 6.43 4.64 -1.92 -3.45 113.55 116.82 3dh6 h SER 16 Ca 0.00 -0.18 -0.64 0.00 -0.47 0.00 0.00 61.79 60.50 3dh6 h SER 16 Cb 0.41 -0.13 -0.19 0.00 -0.31 0.00 0.00 62.40 62.19 3dh6 h SER 16 CO 0.00 0.77 -0.83 0.28 -0.87 0.00 0.00 176.83 176.18 3dh6 s THR 17 N -4.33 2.27 0.12 2.95 -1.32 -1.26 -5.05 115.64 109.02 3dh6 s THR 17 Ca -0.06 -1.97 -0.02 0.00 -1.21 0.00 0.00 61.69 58.43 3dh6 s THR 17 Cb 0.13 -2.07 -0.21 0.00 -1.51 0.00 0.00 72.50 68.85 3dh6 s THR 17 CO 0.80 -0.11 1.27 0.77 -2.21 0.00 0.00 174.62 175.14 3dh6 h SER 18 N 3.32 0.39 -5.09 8.08 4.64 -1.87 -3.44 113.55 119.58 3dh6 h SER 18 Ca -0.47 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 3dh6 h SER 18 Cb 1.20 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 3dh6 h SER 18 CO 0.47 1.19 0.12 0.00 -0.87 0.00 0.00 176.83 177.74 3dh6 s ALA 19 N -3.02 -0.78 -0.25 5.18 0.00 -1.26 -4.82 121.76 116.81 3dh6 s ALA 19 Ca -0.04 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3dh6 s ALA 19 Cb 0.09 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 3dh6 s ALA 19 CO 0.86 -0.97 1.59 0.00 0.00 0.00 0.00 175.76 177.24 3dh6 s ALA 20 N -3.63 3.24 0.17 0.00 0.00 -1.26 -4.90 121.76 115.37 3dh6 s ALA 20 Ca 0.16 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 3dh6 s ALA 20 Cb -0.04 -3.86 0.03 0.00 0.00 0.00 0.00 23.12 19.25 3dh6 s ALA 20 CO 0.09 -2.01 1.41 0.66 0.00 0.00 0.00 175.76 175.91 3dh6 h SER 21 N 10.75 0.47 -5.77 0.00 4.64 -2.00 -3.48 113.55 118.17 3dh6 h SER 21 Ca -0.33 -0.33 -0.38 0.00 -0.47 0.00 0.00 61.79 60.29 3dh6 h SER 21 Cb 1.15 -0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.96 3dh6 h SER 21 CO 1.01 1.08 -0.51 -0.94 -0.87 0.00 0.00 176.83 176.59 3dh6 s SER 22 N -6.99 1.12 0.35 4.97 1.04 -1.26 -5.04 113.70 107.89 3dh6 s SER 22 Ca -0.05 -1.62 0.27 0.00 0.48 0.00 0.00 55.95 55.03 3dh6 s SER 22 Cb 0.10 0.50 0.92 0.00 0.10 0.00 0.00 66.02 67.64 3dh6 s SER 22 CO 0.84 -1.00 1.78 0.77 0.98 0.00 0.00 173.24 176.61 3dh6 h SER 23 N 2.30 0.00 -0.31 7.02 4.64 -1.92 -3.06 113.55 122.22 3dh6 h SER 23 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3dh6 h SER 23 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dh6 h SER 23 CO 0.42 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.97 3dh6 n ASN 24 N -2.60 2.12 -0.09 4.97 5.03 -1.26 -4.31 115.26 119.12 3dh6 n ASN 24 Ca 0.03 -1.87 -0.07 0.00 0.87 0.00 0.00 54.58 53.53 3dh6 n ASN 24 Cb 0.35 -0.20 -0.00 0.00 -1.02 0.00 0.00 39.78 38.91 3dh6 n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3dh6 h TYR 25 N 2.57 0.25 -0.33 3.10 3.20 -1.94 -2.71 116.97 121.11 3dh6 h TYR 25 Ca 0.00 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3dh6 h TYR 25 Cb 0.57 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3dh6 h TYR 25 CO 0.20 0.13 -0.17 0.00 -1.64 0.00 0.00 178.16 176.68 3dh6 h ASN 27 N 0.47 0.05 0.17 0.00 2.35 -1.82 0.63 115.58 117.43 3dh6 h ASN 27 Ca 0.07 -0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.52 3dh6 h ASN 27 Cb 0.70 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.07 3dh6 h ASN 27 CO 0.05 0.03 -1.45 1.56 -1.65 0.00 0.00 177.43 175.97 3dh6 h GLN 28 N 0.05 0.37 -0.00 0.81 4.20 -1.33 -3.33 115.11 115.88 3dh6 h GLN 28 Ca 0.09 -0.62 -0.22 0.00 0.06 0.00 0.00 58.65 57.96 3dh6 h GLN 28 Cb 0.30 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3dh6 h GLN 28 CO -0.01 1.30 -0.91 0.52 -0.67 0.00 0.00 178.83 179.06 3dh6 h MET 29 N -0.08 0.36 0.00 1.46 2.86 -0.84 -1.44 114.93 117.25 3dh6 h MET 29 Ca -0.28 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 56.91 3dh6 h MET 29 Cb 1.94 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.70 3dh6 h MET 29 CO 0.16 1.06 -0.29 0.52 1.06 0.00 0.00 176.91 179.42 3dh6 h MET 30 N 0.21 0.00 0.12 1.72 2.86 -1.08 -1.64 114.93 117.12 3dh6 h MET 30 Ca -0.07 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.24 3dh6 h MET 30 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 3dh6 h MET 30 CO 0.15 0.29 -1.70 -0.22 1.06 0.00 0.00 176.91 176.49 3dh6 h LYS 31 N 0.00 0.25 -0.06 1.72 3.64 -1.66 -0.97 116.57 119.49 3dh6 h LYS 31 Ca -0.00 -0.44 -0.14 0.00 -1.27 0.00 0.00 60.65 58.80 3dh6 h LYS 31 Cb 0.68 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3dh6 h LYS 31 CO 0.04 1.11 -0.60 0.77 -2.27 0.00 0.00 179.45 178.49 3dh6 h SER 32 N 0.07 0.25 -0.42 4.20 0.02 -1.17 -3.03 113.55 113.47 3dh6 h SER 32 Ca -0.31 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3dh6 h SER 32 Cb 2.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.51 3dh6 h SER 32 CO 0.14 0.79 0.00 0.54 -1.14 0.00 0.00 176.83 177.16 3dh6 n ARG 33 N -3.87 2.86 -3.75 3.45 5.12 -0.63 -4.94 116.66 114.91 3dh6 n ARG 33 Ca -0.02 -1.88 -0.26 0.00 -1.93 0.00 0.00 57.85 53.77 3dh6 n ARG 33 Cb 0.62 -1.71 0.04 0.00 -1.16 0.00 0.00 32.46 30.25 3dh6 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dh6 n ASN 34 N 0.62 -4.08 -0.95 0.55 3.02 -1.14 -4.89 115.26 108.39 3dh6 n ASN 34 Ca 0.17 -0.72 0.10 0.00 -0.03 0.00 0.00 54.58 54.10 3dh6 n ASN 34 Cb 0.65 -4.29 0.16 0.00 -0.61 0.00 0.00 39.78 35.69 3dh6 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dh6 n LEU 35 N -4.62 3.07 -0.90 3.41 4.77 -0.38 -4.24 117.00 118.11 3dh6 n LEU 35 Ca -0.07 -1.36 0.05 0.00 -0.03 0.00 0.00 56.01 54.60 3dh6 n LEU 35 Cb 0.58 -0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.65 3dh6 n LEU 35 CO 0.70 0.63 0.26 0.35 -1.33 0.00 0.00 177.39 178.00 3dh6 n THR 36 N 1.23 1.36 0.21 -5.08 -2.24 -1.13 -2.25 114.28 106.38 3dh6 n THR 36 Ca 0.15 -2.33 -0.08 0.00 -2.27 0.00 0.00 64.05 59.52 3dh6 n THR 36 Cb 0.53 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 3dh6 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dh6 h LYS 37 N 0.93 -0.53 0.00 -0.78 1.79 -1.89 -3.40 116.57 112.69 3dh6 h LYS 37 Ca -0.08 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3dh6 h LYS 37 Cb 1.33 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 3dh6 h LYS 37 CO 0.04 -0.35 -0.79 -0.25 -1.08 0.00 0.00 179.45 177.01 3dh6 n ASP 38 N -3.99 2.06 -3.71 0.86 8.00 -1.26 -5.01 116.55 113.50 3dh6 n ASP 38 Ca -0.07 -0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 3dh6 n ASP 38 Cb 0.22 1.14 -0.10 0.00 -0.02 0.00 0.00 41.12 42.36 3dh6 n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dh6 s ARG 39 N -1.99 0.50 -0.31 -1.24 3.52 -1.26 -5.08 118.95 113.09 3dh6 s ARG 39 Ca -0.00 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 3dh6 s ARG 39 Cb 0.04 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 3dh6 s ARG 39 CO 0.24 -0.10 1.45 0.00 -0.81 0.00 0.00 175.30 176.07 3dh6 s LYS 41 N 4.59 4.05 0.11 0.00 2.20 -0.95 -4.92 119.74 124.82 3dh6 s LYS 41 Ca 0.63 2.06 -0.21 0.00 -0.36 0.00 0.00 55.97 58.09 3dh6 s LYS 41 Cb -0.18 -4.01 -0.08 0.00 -1.51 0.00 0.00 37.83 32.04 3dh6 s LYS 41 CO 0.28 -1.00 1.72 -1.00 -0.36 0.00 0.00 175.35 174.98 3dh6 h PRO 42 N 10.04 0.01 -4.07 4.03 0.13 -1.92 -3.43 132.00 136.79 3dh6 h PRO 42 Ca -0.38 -0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.30 3dh6 h PRO 42 Cb 1.17 -0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.95 3dh6 h PRO 42 CO 0.97 0.00 -0.78 0.08 -0.23 0.00 0.00 178.00 178.04 3dh6 s VAL 43 N -6.20 0.67 -0.11 1.56 1.01 -1.26 -2.45 120.40 113.62 3dh6 s VAL 43 Ca -0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 3dh6 s VAL 43 Cb 0.08 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.79 3dh6 s VAL 43 CO 0.67 0.28 0.31 0.21 0.00 0.00 0.00 175.10 176.57 3dh6 s ASN 44 N 1.24 -0.32 -0.12 3.32 2.47 -0.64 -5.02 114.94 115.87 3dh6 s ASN 44 Ca -0.05 0.61 0.03 0.00 0.42 0.00 0.00 52.86 53.86 3dh6 s ASN 44 Cb -0.14 0.62 0.01 0.00 -1.45 0.00 0.00 41.25 40.29 3dh6 s ASN 44 CO -0.02 -0.11 -0.21 -0.89 -3.72 0.00 0.00 177.10 172.14 3dh6 s THR 45 N 0.13 1.94 -0.12 -5.21 2.01 -1.26 0.02 115.64 113.16 3dh6 s THR 45 Ca -0.00 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 3dh6 s THR 45 Cb -0.02 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3dh6 s THR 45 CO 0.00 0.53 0.11 -0.36 -0.69 0.00 0.00 174.62 174.22 3dh6 s PHE 46 N 0.65 3.51 -0.16 4.92 0.08 -0.18 -4.27 117.98 122.53 3dh6 s PHE 46 Ca -0.12 0.46 -0.07 0.00 0.12 0.00 0.00 56.93 57.31 3dh6 s PHE 46 Cb -0.16 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 3dh6 s PHE 46 CO 0.03 0.67 0.10 0.00 -0.10 0.00 0.00 175.22 175.91 3dh6 s ALA 47 N -0.95 3.61 -0.58 5.36 0.00 0.03 -1.27 121.76 127.97 3dh6 s ALA 47 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3dh6 s ALA 47 Cb -0.12 -1.96 0.49 0.00 0.00 0.00 0.00 23.12 21.53 3dh6 s ALA 47 CO 0.03 0.35 1.91 0.72 0.00 0.00 0.00 175.76 178.77 3dh6 n HIS 48 N 2.93 3.08 -4.55 0.00 -0.00 0.36 -0.84 115.22 116.19 3dh6 n HIS 48 Ca -0.18 -2.70 -0.26 0.00 -0.00 0.00 0.00 57.72 54.58 3dh6 n HIS 48 Cb 0.53 -1.23 -0.11 0.00 -0.00 0.00 0.00 29.99 29.19 3dh6 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3dh6 s GLU 49 N -3.69 1.83 0.67 -0.41 0.41 -1.26 -4.73 118.70 111.52 3dh6 s GLU 49 Ca 0.61 -1.96 -0.16 0.00 -0.41 0.00 0.00 54.97 53.05 3dh6 s GLU 49 Cb 0.49 -1.67 0.01 0.00 -1.78 0.00 0.00 34.13 31.18 3dh6 s GLU 49 CO 0.02 0.11 1.19 -1.54 -0.49 0.00 0.00 175.26 174.54 3dh6 s SER 50 N -3.62 4.68 0.36 -0.19 1.04 -1.26 -4.23 113.70 110.49 3dh6 s SER 50 Ca 0.33 2.30 0.05 0.00 0.48 0.00 0.00 55.95 59.11 3dh6 s SER 50 Cb 0.04 -2.59 0.73 0.00 0.10 0.00 0.00 66.02 64.31 3dh6 s SER 50 CO 0.17 -1.93 1.98 0.25 0.98 0.00 0.00 173.24 174.68 3dh6 h LEU 51 N 0.15 0.66 -1.00 2.42 5.85 -1.98 -2.04 115.31 119.36 3dh6 h LEU 51 Ca -0.48 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3dh6 h LEU 51 Cb 1.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3dh6 h LEU 51 CO 0.52 0.44 -0.16 0.00 -0.34 0.00 0.00 178.44 178.90 3dh6 h ALA 52 N 1.62 1.16 -0.18 1.25 0.00 -1.98 -1.79 119.26 119.34 3dh6 h ALA 52 Ca 0.28 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3dh6 h ALA 52 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dh6 h ALA 52 CO -0.09 0.53 -0.62 -0.44 0.00 0.00 0.00 179.25 178.63 3dh6 h ASP 53 N 0.49 0.73 0.65 0.00 5.19 -1.74 -1.65 116.42 120.08 3dh6 h ASP 53 Ca 0.08 -0.42 -0.20 0.00 -0.62 0.00 0.00 57.03 55.88 3dh6 h ASP 53 Cb 0.56 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3dh6 h ASP 53 CO 0.04 1.17 -0.90 0.58 -3.12 0.00 0.00 179.24 177.01 3dh6 h VAL 54 N 0.47 1.52 0.00 -1.35 2.07 -1.45 -3.04 116.25 114.47 3dh6 h VAL 54 Ca -0.01 -2.72 -0.06 0.00 0.82 0.00 0.00 66.70 64.73 3dh6 h VAL 54 Cb 1.20 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3dh6 h VAL 54 CO 0.12 0.79 -0.30 1.56 0.02 0.00 0.00 177.57 179.76 3dh6 h GLN 55 N 0.08 0.00 0.00 1.57 4.20 -1.32 -3.07 115.11 116.57 3dh6 h GLN 55 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3dh6 h GLN 55 Cb 1.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.32 3dh6 h GLN 55 CO 0.13 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 3dh6 h ALA 56 N 1.70 1.00 -0.27 3.87 0.00 -1.18 -3.21 119.26 121.18 3dh6 h ALA 56 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dh6 h ALA 56 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3dh6 h ALA 56 CO 0.04 0.00 0.07 0.28 0.00 0.00 0.00 179.25 179.64 3dh6 h VAL 57 N 0.00 1.13 0.00 0.00 2.07 -1.55 -2.64 116.25 115.27 3dh6 h VAL 57 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3dh6 h VAL 57 Cb 0.61 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3dh6 h VAL 57 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 3dh6 n SER 59 N -2.98 4.15 0.00 0.00 3.41 -0.99 -4.97 113.62 112.24 3dh6 n SER 59 Ca -0.02 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 3dh6 n SER 59 Cb 0.09 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3dh6 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh6 n GLN 60 N -0.38 2.72 -2.18 4.33 6.02 -0.38 -5.04 117.38 122.48 3dh6 n GLN 60 Ca 0.29 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.85 3dh6 n GLN 60 Cb 1.08 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.32 3dh6 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3dh6 s LYS 61 N 4.91 3.83 -0.25 -1.09 2.47 -1.16 -4.92 119.74 123.52 3dh6 s LYS 61 Ca 0.00 1.59 -0.29 0.00 -1.56 0.00 0.00 55.97 55.71 3dh6 s LYS 61 Cb 0.00 -4.00 0.01 0.00 -1.46 0.00 0.00 37.83 32.38 3dh6 s LYS 61 CO 0.00 -1.25 1.09 1.21 0.16 0.00 0.00 175.35 176.57 3dh6 s ASN 62 N 3.91 7.01 0.24 1.43 3.04 -1.26 -0.47 114.94 128.83 3dh6 s ASN 62 Ca 0.68 1.31 0.05 0.00 0.04 0.00 0.00 52.86 54.94 3dh6 s ASN 62 Cb -0.23 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 36.88 3dh6 s ASN 62 CO 0.28 -0.77 -0.03 0.68 -3.04 0.00 0.00 177.10 174.22 3dh6 s VAL 63 N 3.44 1.25 0.26 -5.21 -7.23 -0.69 -4.94 120.40 107.28 3dh6 s VAL 63 Ca 0.46 -2.07 -0.25 0.00 -1.81 0.00 0.00 61.98 58.32 3dh6 s VAL 63 Cb -0.15 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 3dh6 s VAL 63 CO 0.11 -0.35 0.86 0.00 -0.31 0.00 0.00 175.10 175.41 3dh6 s ALA 64 N -3.27 3.33 0.82 1.32 0.00 -1.26 -3.37 121.76 119.33 3dh6 s ALA 64 Ca 0.28 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3dh6 s ALA 64 Cb 0.05 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.20 3dh6 s ALA 64 CO 0.09 0.24 1.13 0.00 0.00 0.00 0.00 175.76 177.22 3dh6 h LYS 66 N -1.15 0.11 0.00 0.00 1.57 -1.95 -3.01 116.57 112.13 3dh6 h LYS 66 Ca -0.48 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.12 3dh6 h LYS 66 Cb 1.30 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 3dh6 h LYS 66 CO 0.62 0.41 -0.81 -2.95 -0.57 0.00 0.00 179.45 176.15 3dh6 h ASN 67 N 0.10 0.00 0.00 0.86 -1.07 -2.02 -3.47 115.58 109.97 3dh6 h ASN 67 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 3dh6 h ASN 67 Cb 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 3dh6 h ASN 67 CO 0.04 0.68 0.00 0.61 0.07 0.00 0.00 177.43 178.83 3dh6 n GLY 68 N 1.30 0.25 3.83 9.14 0.00 -1.14 -5.14 105.19 113.42 3dh6 n GLY 68 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3dh6 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dh6 s GLN 69 N 0.00 3.28 -0.12 1.61 -0.21 -1.26 -4.75 119.66 118.21 3dh6 s GLN 69 Ca 0.00 1.00 0.15 0.00 0.02 0.00 0.00 55.36 56.52 3dh6 s GLN 69 Cb 0.00 -2.03 0.51 0.00 1.00 0.00 0.00 33.01 32.49 3dh6 s GLN 69 CO 0.00 -0.83 1.43 0.25 -2.12 0.00 0.00 175.29 174.02 3dh6 n THR 70 N -2.56 1.88 -0.40 -0.19 -2.24 -1.26 -0.23 114.28 109.27 3dh6 n THR 70 Ca 0.07 -1.49 0.12 0.00 -2.27 0.00 0.00 64.05 60.48 3dh6 n THR 70 Cb 0.53 0.02 0.33 0.00 -2.10 0.00 0.00 70.33 69.11 3dh6 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dh6 n ASN 71 N 0.10 4.06 -4.84 3.42 6.94 -1.26 -4.81 115.26 118.86 3dh6 n ASN 71 Ca 0.20 -2.05 -0.32 0.00 -0.02 0.00 0.00 54.58 52.38 3dh6 n ASN 71 Cb 0.78 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.63 3dh6 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dh6 s TYR 73 N -2.06 0.28 -0.09 0.00 1.51 0.25 -1.70 117.35 115.54 3dh6 s TYR 73 Ca 0.56 0.05 -0.17 0.00 -1.01 0.00 0.00 57.07 56.49 3dh6 s TYR 73 Cb -0.10 -0.47 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 3dh6 s TYR 73 CO 0.18 -0.17 0.44 -1.14 -1.11 0.00 0.00 175.55 173.75 3dh6 s GLN 74 N 1.45 4.23 0.42 -0.62 0.74 0.38 -1.65 119.66 124.62 3dh6 s GLN 74 Ca -0.04 0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.54 3dh6 s GLN 74 Cb -0.13 -3.38 -0.08 0.00 1.10 0.00 0.00 33.01 30.52 3dh6 s GLN 74 CO -0.03 0.30 1.20 -1.54 -0.55 0.00 0.00 175.29 174.68 3dh6 s SER 75 N 0.16 6.33 0.13 6.67 1.04 -0.21 -2.99 113.70 124.84 3dh6 s SER 75 Ca 0.24 2.41 -0.13 0.00 0.48 0.00 0.00 55.95 58.96 3dh6 s SER 75 Cb -0.15 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.32 3dh6 s SER 75 CO 0.11 -0.81 1.52 1.88 0.98 0.00 0.00 173.24 176.91 3dh6 h TYR 76 N 2.44 0.96 -2.51 5.02 0.05 -1.95 -3.43 116.97 117.55 3dh6 h TYR 76 Ca -0.49 -0.23 -0.56 0.00 0.05 0.00 0.00 58.73 57.50 3dh6 h TYR 76 Cb 1.24 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.67 3dh6 h TYR 76 CO 0.54 0.99 -0.61 -1.54 -1.05 0.00 0.00 178.16 176.49 3dh6 s SER 77 N -6.52 5.02 0.21 3.88 1.04 -1.26 -5.05 113.70 111.02 3dh6 s SER 77 Ca -0.12 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.63 3dh6 s SER 77 Cb 0.11 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 65.00 3dh6 s SER 77 CO 0.84 0.03 1.20 0.42 0.98 0.00 0.00 173.24 176.71 3dh6 s THR 78 N -1.98 3.45 0.03 2.02 -4.23 -1.26 -4.50 115.64 109.17 3dh6 s THR 78 Ca 0.30 1.27 0.09 0.00 -1.18 0.00 0.00 61.69 62.17 3dh6 s THR 78 Cb -0.08 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 3dh6 s THR 78 CO 0.21 0.23 -0.26 -0.04 -0.54 0.00 0.00 174.62 174.22 3dh6 s MET 79 N -0.55 1.90 -0.23 3.99 -1.94 0.20 -4.79 119.30 117.88 3dh6 s MET 79 Ca 0.52 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 53.15 3dh6 s MET 79 Cb -0.33 -2.01 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 3dh6 s MET 79 CO 0.39 0.53 1.55 0.45 -0.01 0.00 0.00 175.02 177.93 3dh6 s SER 80 N -1.09 6.44 0.10 3.03 0.15 -1.26 -1.73 113.70 119.35 3dh6 s SER 80 Ca 0.11 1.56 0.02 0.00 0.70 0.00 0.00 55.95 58.34 3dh6 s SER 80 Cb -0.10 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3dh6 s SER 80 CO 0.01 -1.21 -0.06 0.27 1.20 0.00 0.00 173.24 173.44 3dh6 s ILE 81 N 5.01 0.69 -0.09 6.45 -4.36 -0.98 -0.49 121.20 127.43 3dh6 s ILE 81 Ca 0.68 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 3dh6 s ILE 81 Cb -0.23 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.81 3dh6 s ILE 81 CO 0.28 -0.87 -0.10 -0.89 0.24 0.00 0.00 174.94 173.59 3dh6 s THR 82 N -3.63 1.11 -0.21 8.37 2.01 -0.40 -2.41 115.64 120.50 3dh6 s THR 82 Ca 0.12 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 3dh6 s THR 82 Cb 0.05 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 3dh6 s THR 82 CO -0.05 0.37 0.32 -0.62 -0.69 0.00 0.00 174.62 173.95 3dh6 s ASP 83 N 1.18 6.34 -0.25 3.53 2.15 -0.69 -1.01 116.67 127.91 3dh6 s ASP 83 Ca -0.05 0.40 -0.05 0.00 0.43 0.00 0.00 52.55 53.28 3dh6 s ASP 83 Cb -0.14 -2.19 -0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3dh6 s ASP 83 CO -0.02 -0.02 0.01 0.00 -0.17 0.00 0.00 175.17 174.96 3dh6 s ARG 85 N 1.48 0.84 0.32 0.00 0.52 -1.16 -1.62 118.95 119.33 3dh6 s ARG 85 Ca 0.04 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 3dh6 s ARG 85 Cb -0.16 -0.81 -0.11 0.00 0.52 0.00 0.00 34.95 34.40 3dh6 s ARG 85 CO -0.01 0.21 1.45 -1.21 0.02 0.00 0.00 175.30 175.76 3dh6 s GLU 86 N -0.70 4.21 0.83 3.54 2.02 -1.03 0.17 118.70 127.75 3dh6 s GLU 86 Ca 0.02 2.41 -0.08 0.00 0.02 0.00 0.00 54.97 57.35 3dh6 s GLU 86 Cb -0.06 -3.04 0.18 0.00 0.10 0.00 0.00 34.13 31.31 3dh6 s GLU 86 CO 0.00 -0.43 1.13 0.25 0.02 0.00 0.00 175.26 176.23 3dh6 n THR 87 N 1.30 0.00 0.21 3.63 -2.24 -1.06 -4.81 114.28 111.31 3dh6 n THR 87 Ca 0.03 -1.26 0.07 0.00 -2.27 0.00 0.00 64.05 60.62 3dh6 n THR 87 Cb 0.40 -1.20 0.46 0.00 -2.10 0.00 0.00 70.33 67.89 3dh6 n THR 87 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dh6 h GLY 88 N -1.11 0.00 -0.86 3.38 0.00 -1.96 -2.96 103.07 99.57 3dh6 h GLY 88 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3dh6 h GLY 88 CO 0.32 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.72 3dh6 n SER 89 N -3.70 1.87 -4.68 0.19 3.41 -1.26 -4.92 113.62 104.53 3dh6 n SER 89 Ca -0.01 -1.64 -0.43 0.00 -0.26 0.00 0.00 58.87 56.53 3dh6 n SER 89 Cb 0.40 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3dh6 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dh6 s SER 90 N -1.89 7.00 -0.24 4.04 0.15 -1.12 -4.83 113.70 116.82 3dh6 s SER 90 Ca 0.35 1.78 -0.10 0.00 0.70 0.00 0.00 55.95 58.68 3dh6 s SER 90 Cb 0.20 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 62.06 3dh6 s SER 90 CO 0.31 -0.65 0.54 -0.75 1.20 0.00 0.00 173.24 173.89 3dh6 s LYS 91 N 2.70 0.49 0.28 5.44 2.20 -1.07 -4.89 119.74 124.87 3dh6 s LYS 91 Ca 0.56 1.18 -0.30 0.00 -0.36 0.00 0.00 55.97 57.05 3dh6 s LYS 91 Cb -0.24 0.43 -0.13 0.00 -1.51 0.00 0.00 37.83 36.38 3dh6 s LYS 91 CO 0.19 -0.20 1.30 0.98 -0.36 0.00 0.00 175.35 177.26 3dh6 n TYR 92 N 5.06 2.05 0.21 4.03 4.19 -1.26 -0.02 117.16 131.42 3dh6 n TYR 92 Ca -0.14 0.52 0.04 0.00 3.31 0.00 0.00 57.90 61.64 3dh6 n TYR 92 Cb 0.52 -2.41 0.20 0.00 0.49 0.00 0.00 39.34 38.14 3dh6 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3dh6 n PRO 93 N 1.32 2.74 -3.15 2.98 -0.04 -1.26 -4.98 135.00 132.61 3dh6 n PRO 93 Ca 0.09 -1.57 -0.39 0.00 -0.04 0.00 0.00 63.50 61.59 3dh6 n PRO 93 Cb 0.33 -1.74 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 3dh6 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dh6 n ASN 94 N 0.40 5.70 -4.70 3.54 3.02 0.96 -5.04 115.26 119.15 3dh6 n ASN 94 Ca 0.14 -3.38 -0.42 0.00 -0.03 0.00 0.00 54.58 50.88 3dh6 n ASN 94 Cb 0.63 -1.14 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 3dh6 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dh6 s ALA 96 N 1.76 2.33 0.03 0.00 0.00 -1.26 -4.96 121.76 119.65 3dh6 s ALA 96 Ca 0.55 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3dh6 s ALA 96 Cb -0.25 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 3dh6 s ALA 96 CO 0.24 0.54 -0.09 0.71 0.00 0.00 0.00 175.76 177.16 3dh6 s TYR 97 N -0.77 0.81 -0.13 0.00 1.51 -1.26 -2.56 117.35 114.94 3dh6 s TYR 97 Ca 0.12 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.66 3dh6 s TYR 97 Cb -0.10 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 3dh6 s TYR 97 CO 0.02 -0.02 0.41 0.21 -1.11 0.00 0.00 175.55 175.06 3dh6 s LYS 98 N -1.08 4.31 -0.27 -0.62 2.20 0.13 -4.71 119.74 119.70 3dh6 s LYS 98 Ca -0.03 0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 55.80 3dh6 s LYS 98 Cb -0.07 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3dh6 s LYS 98 CO 0.01 0.18 0.16 0.99 -0.36 0.00 0.00 175.35 176.33 3dh6 s THR 99 N 0.58 5.13 -0.11 3.43 2.01 -1.26 -3.00 115.64 122.42 3dh6 s THR 99 Ca 0.23 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 3dh6 s THR 99 Cb -0.14 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 68.97 3dh6 s THR 99 CO 0.08 0.28 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.37 3dh6 s THR 100 N 1.62 0.73 -0.17 -0.82 2.01 -1.16 -4.95 115.64 112.90 3dh6 s THR 100 Ca 0.07 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 3dh6 s THR 100 Cb -0.15 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3dh6 s THR 100 CO 0.09 0.25 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.64 3dh6 s GLN 101 N 1.82 3.57 0.14 4.92 2.00 -1.26 -1.71 119.66 129.15 3dh6 s GLN 101 Ca 0.04 -0.56 -0.19 0.00 -2.00 0.00 0.00 55.36 52.64 3dh6 s GLN 101 Cb -0.13 -2.91 0.05 0.00 0.80 0.00 0.00 33.01 30.82 3dh6 s GLN 101 CO -0.07 0.14 0.49 0.00 -0.50 0.00 0.00 175.29 175.35 3dh6 s ALA 102 N 0.63 -1.24 -0.40 1.58 0.00 -1.01 -5.05 121.76 116.26 3dh6 s ALA 102 Ca -0.03 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 3dh6 s ALA 102 Cb -0.15 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.76 3dh6 s ALA 102 CO 0.02 -0.70 0.33 -0.80 0.00 0.00 0.00 175.76 174.62 3dh6 s ASN 103 N -2.76 6.13 0.12 0.00 -0.87 -1.26 -2.31 114.94 113.98 3dh6 s ASN 103 Ca 0.02 -0.73 -0.03 0.00 -1.57 0.00 0.00 52.86 50.54 3dh6 s ASN 103 Cb 0.01 -2.18 -0.03 0.00 -0.02 0.00 0.00 41.25 39.03 3dh6 s ASN 103 CO -0.12 -0.44 0.10 -0.54 -2.57 0.00 0.00 177.10 173.53 3dh6 s LYS 104 N 1.82 0.91 0.38 -0.60 1.02 -0.70 -4.77 119.74 117.80 3dh6 s LYS 104 Ca 0.07 -1.30 -0.26 0.00 0.02 0.00 0.00 55.97 54.51 3dh6 s LYS 104 Cb -0.18 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 3dh6 s LYS 104 CO 0.11 -0.27 1.12 -1.01 -0.92 0.00 0.00 175.35 174.38 3dh6 s HIS 105 N -3.99 3.22 -0.09 3.18 3.76 0.14 0.59 115.29 122.10 3dh6 s HIS 105 Ca 0.18 1.60 -0.02 0.00 -0.15 0.00 0.00 55.06 56.67 3dh6 s HIS 105 Cb 0.06 -3.30 -0.03 0.00 1.11 0.00 0.00 32.58 30.42 3dh6 s HIS 105 CO -0.02 -0.99 0.00 0.96 -0.85 0.00 0.00 174.74 173.85 3dh6 s ILE 106 N -1.44 4.34 -0.23 0.60 -4.36 -1.26 -0.78 121.20 118.07 3dh6 s ILE 106 Ca 0.55 -0.24 -0.01 0.00 -0.26 0.00 0.00 60.65 60.69 3dh6 s ILE 106 Cb -0.28 -2.83 0.02 0.00 1.25 0.00 0.00 42.46 40.62 3dh6 s ILE 106 CO 0.36 0.60 -0.09 -0.63 0.24 0.00 0.00 174.94 175.42 3dh6 s ILE 107 N -0.86 2.77 -0.01 8.37 1.01 -0.27 -1.04 121.20 131.17 3dh6 s ILE 107 Ca 0.13 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3dh6 s ILE 107 Cb -0.11 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 3dh6 s ILE 107 CO 0.02 0.33 -0.14 0.68 0.00 0.00 0.00 174.94 175.83 3dh6 s VAL 108 N 1.34 1.13 0.03 2.92 -7.23 -0.66 -1.14 120.40 116.79 3dh6 s VAL 108 Ca 0.02 -0.61 -0.25 0.00 -1.81 0.00 0.00 61.98 59.34 3dh6 s VAL 108 Cb -0.15 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 3dh6 s VAL 108 CO -0.06 0.32 0.78 0.00 -0.31 0.00 0.00 175.10 175.83 3dh6 s ALA 109 N -0.31 3.34 -0.01 1.32 0.00 -0.24 -0.58 121.76 125.29 3dh6 s ALA 109 Ca 0.05 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3dh6 s ALA 109 Cb -0.06 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3dh6 s ALA 109 CO -0.00 0.02 -0.21 0.00 0.00 0.00 0.00 175.76 175.56 3dh6 s GLU 111 N -0.52 1.10 0.32 0.00 -1.05 -1.03 -4.87 118.70 112.64 3dh6 s GLU 111 Ca 0.08 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 3dh6 s GLU 111 Cb -0.08 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3dh6 s GLU 111 CO -0.01 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.18 3dh6 n GLY 112 N -0.23 -2.45 2.77 -3.83 0.00 -1.26 -3.50 105.19 96.69 3dh6 n GLY 112 Ca -0.15 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 3dh6 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dh6 s ASN 113 N -2.82 2.45 0.72 1.61 2.47 -1.26 -2.91 114.94 115.19 3dh6 s ASN 113 Ca 0.00 -0.54 -0.14 0.00 0.42 0.00 0.00 52.86 52.60 3dh6 s ASN 113 Cb 0.00 -0.60 0.03 0.00 -1.45 0.00 0.00 41.25 39.24 3dh6 s ASN 113 CO 0.00 -0.25 1.14 -2.16 -3.72 0.00 0.00 177.10 172.11 3dh6 s PRO 114 N 1.86 2.35 -0.86 0.43 0.04 -1.26 -5.06 135.00 132.50 3dh6 s PRO 114 Ca 0.01 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.29 3dh6 s PRO 114 Cb -0.15 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3dh6 s PRO 114 CO -0.07 -1.62 1.71 -0.47 0.04 0.00 0.00 177.00 176.59 3dh6 s TYR 115 N -2.34 2.04 0.23 0.56 5.04 -1.15 -4.91 117.35 116.82 3dh6 s TYR 115 Ca 0.68 0.17 0.12 0.00 -2.44 0.00 0.00 57.07 55.60 3dh6 s TYR 115 Cb -0.23 -4.31 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 3dh6 s TYR 115 CO 0.46 -1.95 -0.22 0.14 -1.34 0.00 0.00 175.55 172.64 3dh6 s VAL 116 N 7.92 2.40 0.30 3.14 -7.23 -1.23 -4.82 120.40 120.87 3dh6 s VAL 116 Ca 0.58 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.27 3dh6 s VAL 116 Cb -0.06 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.58 3dh6 s VAL 116 CO 0.03 -0.24 1.16 -2.84 -0.31 0.00 0.00 175.10 172.90 3dh6 s PRO 117 N -3.04 4.55 0.00 4.82 0.02 -1.26 -2.46 135.00 137.63 3dh6 s PRO 117 Ca 0.25 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3dh6 s PRO 117 Cb -0.07 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3dh6 s PRO 117 CO 0.12 0.09 0.00 1.33 -0.33 0.00 0.00 177.00 178.21 3dh6 n VAL 118 N 1.06 0.00 -4.40 3.83 0.24 0.36 -4.64 118.33 114.78 3dh6 n VAL 118 Ca -0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 3dh6 n VAL 118 Cb 0.44 -0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 32.12 3dh6 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3dh6 s HIS 119 N -1.82 0.86 -0.48 6.34 3.76 -1.16 -4.36 115.29 118.43 3dh6 s HIS 119 Ca 0.00 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.57 3dh6 s HIS 119 Cb 0.00 -0.55 0.06 0.00 1.11 0.00 0.00 32.58 33.19 3dh6 s HIS 119 CO 0.00 -0.01 0.53 0.12 -0.85 0.00 0.00 174.74 174.52 3dh6 s PHE 120 N -0.23 3.12 -0.01 1.40 2.19 -1.26 -1.08 117.98 122.12 3dh6 s PHE 120 Ca 0.04 -0.61 -0.01 0.00 0.33 0.00 0.00 56.93 56.68 3dh6 s PHE 120 Cb -0.04 -3.32 -0.01 0.00 -1.31 0.00 0.00 43.02 38.35 3dh6 s PHE 120 CO -0.00 -0.91 0.27 0.22 1.83 0.00 0.00 175.22 176.63 3dh6 h ASP 121 N 8.88 -0.03 -5.11 6.13 3.58 -1.50 -3.49 116.42 124.88 3dh6 h ASP 121 Ca -0.28 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.12 3dh6 h ASP 121 Cb 1.10 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 3dh6 h ASP 121 CO 0.91 0.02 0.16 0.00 -2.88 0.00 0.00 179.24 177.45 3dh6 s ALA 122 N -3.04 -0.50 -0.00 -0.78 0.00 -1.18 -5.02 121.76 111.23 3dh6 s ALA 122 Ca -0.00 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.18 3dh6 s ALA 122 Cb 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 3dh6 s ALA 122 CO 0.01 -0.95 -0.18 -1.54 0.00 0.00 0.00 175.76 173.10 3dh6 s SER 123 N -3.08 2.13 0.00 0.00 1.04 -1.26 -1.11 113.70 111.41 3dh6 s SER 123 Ca 0.18 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3dh6 s SER 123 Cb -0.04 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.86 3dh6 s SER 123 CO 0.12 0.20 0.34 0.52 0.98 0.00 0.00 173.24 175.40