#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e h SER 2 N 0.00 0.00 -5.08 2.55 4.64 -2.04 -3.47 113.55 110.16 3g6e h SER 2 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3g6e h SER 2 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 3g6e h SER 2 CO 0.00 0.78 -0.69 -0.94 -0.87 0.00 0.00 176.83 175.11 3g6e s SER 3 N -6.17 0.42 -0.44 4.97 1.04 -1.26 -5.09 113.70 107.17 3g6e s SER 3 Ca -0.02 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.70 3g6e s SER 3 Cb 0.09 0.14 0.44 0.00 0.10 0.00 0.00 66.02 66.79 3g6e s SER 3 CO 0.81 -0.45 1.40 -3.20 0.98 0.00 0.00 173.24 172.78 3g6e n ASN 4 N 0.82 5.61 -4.90 7.02 5.15 -1.26 -4.94 115.26 122.75 3g6e n ASN 4 Ca -0.19 -3.76 -0.29 0.00 -0.60 0.00 0.00 54.58 49.75 3g6e n ASN 4 Cb 0.58 -0.55 0.07 0.00 -0.53 0.00 0.00 39.78 39.35 3g6e n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3g6e s GLY 5 N -3.05 1.62 0.28 8.20 0.00 -1.26 -5.00 107.32 108.10 3g6e s GLY 5 Ca 0.53 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 3g6e s GLY 5 CO -0.06 -0.16 1.84 -2.55 0.00 0.00 0.00 173.10 172.17 3g6e h PRO 6 N -0.77 0.89 -0.96 2.90 0.11 -2.05 -3.04 132.00 129.09 3g6e h PRO 6 Ca -0.45 -0.17 -0.27 0.00 0.11 0.00 0.00 66.00 65.22 3g6e h PRO 6 Cb 1.29 -0.14 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 3g6e h PRO 6 CO 0.64 0.77 0.35 1.28 -0.21 0.00 0.00 178.00 180.82 3g6e n LEU 7 N -4.29 5.13 -4.72 2.35 4.77 -1.26 -4.66 117.00 114.33 3g6e n LEU 7 Ca 0.05 -2.69 -0.41 0.00 -0.03 0.00 0.00 56.01 52.92 3g6e n LEU 7 Cb 0.20 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 3g6e n LEU 7 CO 0.40 0.79 0.60 -0.70 -1.33 0.00 0.00 177.39 177.14 3g6e s GLU 8 N -2.08 4.56 -1.44 3.23 -6.30 -1.15 -3.59 118.70 111.92 3g6e s GLU 8 Ca 0.36 1.28 0.00 0.00 -2.50 0.00 0.00 54.97 54.11 3g6e s GLU 8 Cb 0.30 -3.43 0.00 0.00 0.00 0.00 0.00 34.13 31.00 3g6e s GLU 8 CO 0.07 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.84 3g6e n GLY 9 N 2.73 0.56 1.36 -1.50 0.00 -1.26 -4.92 105.19 102.16 3g6e n GLY 9 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 3g6e n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g6e n THR 10 N -3.36 2.67 -0.14 2.61 -2.24 -1.24 -4.66 114.28 107.92 3g6e n THR 10 Ca -0.17 -2.52 -0.09 0.00 -2.27 0.00 0.00 64.05 59.00 3g6e n THR 10 Cb 0.57 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3g6e n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3g6e h ARG 11 N 1.10 0.65 0.45 -0.78 2.43 -1.91 -2.86 114.38 113.45 3g6e h ARG 11 Ca 0.29 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3g6e h ARG 11 Cb 1.89 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3g6e h ARG 11 CO 0.52 0.63 -0.21 0.78 -1.51 0.00 0.00 179.97 180.18 3g6e h GLY 12 N 0.54 -0.63 2.00 2.80 0.00 -1.94 -3.28 103.07 102.56 3g6e h GLY 12 Ca 0.14 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 3g6e h GLY 12 CO -0.01 -0.23 -0.18 0.07 0.00 0.00 0.00 176.54 176.20 3g6e h LYS 13 N -1.14 0.00 -0.50 4.80 2.10 -1.89 -3.03 116.57 116.92 3g6e h LYS 13 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3g6e h LYS 13 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3g6e h LYS 13 CO 0.10 0.18 0.00 1.28 -2.00 0.00 0.00 179.45 179.01 3g6e n LEU 14 N -3.94 5.21 -4.33 7.07 4.77 -1.08 -4.85 117.00 119.85 3g6e n LEU 14 Ca -0.02 -2.92 -0.29 0.00 -0.03 0.00 0.00 56.01 52.75 3g6e n LEU 14 Cb 0.26 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 3g6e n LEU 14 CO 0.33 0.65 -0.56 -0.75 -1.33 0.00 0.00 177.39 175.74 3g6e s LYS 15 N -2.72 1.65 0.28 3.23 2.20 -1.15 -4.71 119.74 118.53 3g6e s LYS 15 Ca 0.51 -1.10 -0.00 0.00 -0.36 0.00 0.00 55.97 55.02 3g6e s LYS 15 Cb 0.39 -1.85 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 3g6e s LYS 15 CO 0.15 0.47 0.48 -0.80 -0.36 0.00 0.00 175.35 175.29 3g6e s ASN 16 N -1.32 6.35 0.15 1.43 0.02 -1.26 -4.93 114.94 115.38 3g6e s ASN 16 Ca 0.11 0.44 -0.30 0.00 -1.02 0.00 0.00 52.86 52.09 3g6e s ASN 16 Cb -0.10 -2.03 -0.07 0.00 0.02 0.00 0.00 41.25 39.08 3g6e s ASN 16 CO 0.02 -0.18 1.04 -0.54 0.02 0.00 0.00 177.10 177.46 3g6e s LYS 17 N -3.87 4.64 0.54 -0.60 3.01 -1.26 -4.92 119.74 117.28 3g6e s LYS 17 Ca 0.40 1.61 0.39 0.00 -1.01 0.00 0.00 55.97 57.35 3g6e s LYS 17 Cb -0.10 -3.32 1.33 0.00 -1.01 0.00 0.00 37.83 34.73 3g6e s LYS 17 CO 0.32 0.14 1.36 -2.30 0.51 0.00 0.00 175.35 175.38 3g6e n PRO 18 N 2.56 0.01 0.13 -1.68 -0.02 -1.26 -0.06 135.00 134.67 3g6e n PRO 18 Ca 0.03 0.99 0.12 0.00 -2.02 0.00 0.00 63.50 62.61 3g6e n PRO 18 Cb 0.47 -2.34 0.14 0.00 -0.02 0.00 0.00 33.50 31.75 3g6e n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6e h ARG 19 N 0.00 0.00 -0.66 -0.52 3.08 -2.05 -3.23 114.38 111.00 3g6e h ARG 19 Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.77 3g6e h ARG 19 Cb 3.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.28 3g6e h ARG 19 CO -0.01 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.64 3g6e n ASP 20 N -2.65 4.68 -4.68 7.04 10.43 0.91 -4.97 116.55 127.30 3g6e n ASP 20 Ca 0.03 -2.43 -0.29 0.00 2.57 0.00 0.00 54.79 54.67 3g6e n ASP 20 Cb 0.51 -0.58 0.17 0.00 1.84 0.00 0.00 41.12 43.06 3g6e n ASP 20 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3g6e s ARG 21 N -1.84 0.45 0.06 -1.24 3.52 -1.18 -4.83 118.95 113.90 3g6e s ARG 21 Ca 0.50 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 3g6e s ARG 21 Cb 0.32 -1.74 0.00 0.00 -1.56 0.00 0.00 34.95 31.97 3g6e s ARG 21 CO 0.24 -2.71 0.00 0.41 -0.81 0.00 0.00 175.30 172.43 3g6e n GLY 22 N -1.17 -1.60 3.70 8.12 0.00 -1.26 -4.90 105.19 108.09 3g6e n GLY 22 Ca 0.05 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 3g6e n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g6e n THR 23 N -1.94 0.86 -2.54 2.61 -1.04 -1.26 -4.80 114.28 106.17 3g6e n THR 23 Ca -0.00 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.05 61.47 3g6e n THR 23 Cb 0.10 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 66.86 3g6e n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3g6e s SER 24 N 0.47 6.65 0.21 8.00 0.01 -1.26 -5.03 113.70 122.76 3g6e s SER 24 Ca 0.67 1.67 -0.31 0.00 1.31 0.00 0.00 55.95 59.29 3g6e s SER 24 Cb -0.58 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.02 3g6e s SER 24 CO 0.47 -0.56 1.50 -2.84 0.41 0.00 0.00 173.24 172.23 3g6e s PRO 25 N -3.66 4.24 0.57 12.44 0.02 -1.26 -4.94 135.00 142.40 3g6e s PRO 25 Ca 0.61 2.34 0.26 0.00 0.02 0.00 0.00 61.00 64.23 3g6e s PRO 25 Cb -0.11 -3.13 1.67 0.00 0.02 0.00 0.00 34.50 32.95 3g6e s PRO 25 CO 0.24 -0.52 2.22 -1.35 -0.33 0.00 0.00 177.00 177.26 3g6e h PRO 26 N 5.85 0.00 -0.58 5.54 0.11 -2.00 -3.29 132.00 137.63 3g6e h PRO 26 Ca -0.44 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 3g6e h PRO 26 Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 3g6e h PRO 26 CO 0.84 0.01 0.02 0.37 -0.21 0.00 0.00 178.00 179.03 3g6e h GLN 27 N 0.00 0.13 0.00 1.05 5.75 -1.99 -1.64 115.11 118.42 3g6e h GLN 27 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3g6e h GLN 27 Cb 0.01 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.53 3g6e h GLN 27 CO 0.00 0.09 0.00 2.89 -2.65 0.00 0.00 178.83 179.16 3g6e n ARG 28 N -5.24 0.11 0.09 1.69 1.85 -1.24 -2.77 116.66 111.15 3g6e n ARG 28 Ca 0.08 0.10 0.12 0.00 -1.00 0.00 0.00 57.85 57.15 3g6e n ARG 28 Cb 0.32 -1.63 0.18 0.00 -1.05 0.00 0.00 32.46 30.29 3g6e n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3g6e h ALA 29 N 2.79 0.68 -0.12 2.89 0.00 -1.48 -3.21 119.26 120.80 3g6e h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g6e h ALA 29 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g6e h ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 3g6e n VAL 30 N -2.32 0.66 -1.73 0.00 0.31 -1.02 -4.37 118.33 109.86 3g6e n VAL 30 Ca 0.03 -0.83 -0.42 0.00 -0.01 0.00 0.00 64.34 63.11 3g6e n VAL 30 Cb 0.46 0.71 -0.02 0.00 -0.91 0.00 0.00 33.84 34.09 3g6e n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3g6e n GLU 31 N 0.14 2.57 -3.70 5.55 4.07 -1.11 -4.99 120.64 123.17 3g6e n GLU 31 Ca 0.05 0.92 -0.36 0.00 -0.06 0.00 0.00 57.16 57.71 3g6e n GLU 31 Cb 0.28 -2.68 -0.10 0.00 -0.06 0.00 0.00 31.44 28.88 3g6e n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3g6e s GLU 32 N -0.34 4.02 0.06 5.31 0.41 -1.26 -4.82 118.70 122.08 3g6e s GLU 32 Ca 0.66 -0.30 0.06 0.00 -0.41 0.00 0.00 54.97 54.98 3g6e s GLU 32 Cb -0.53 -3.49 -0.04 0.00 -1.78 0.00 0.00 34.13 28.29 3g6e s GLU 32 CO 0.47 0.05 -0.10 -0.06 -0.49 0.00 0.00 175.26 175.13 3g6e s PHE 33 N 1.07 2.75 0.27 1.61 0.40 -1.26 -5.14 117.98 117.69 3g6e s PHE 33 Ca 0.07 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 3g6e s PHE 33 Cb -0.14 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3g6e s PHE 33 CO 0.04 0.38 0.34 -0.51 0.70 0.00 0.00 175.22 176.17 3g6e s ASP 34 N -1.82 5.95 0.31 1.36 1.01 -1.26 -5.06 116.67 117.17 3g6e s ASP 34 Ca 0.19 -0.12 -0.29 0.00 0.71 0.00 0.00 52.55 53.04 3g6e s ASP 34 Cb -0.11 -1.53 -0.11 0.00 1.01 0.00 0.00 42.92 42.18 3g6e s ASP 34 CO 0.10 -0.17 1.47 -1.81 0.21 0.00 0.00 175.17 174.97 3g6e s ASP 35 N -3.99 6.52 0.00 0.27 1.01 -1.26 -2.36 116.67 116.86 3g6e s ASP 35 Ca 0.37 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.48 3g6e s ASP 35 Cb -0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.20 3g6e s ASP 35 CO 0.28 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.50 3g6e n GLY 36 N 1.45 2.72 3.74 0.21 0.00 0.17 -4.98 105.19 108.50 3g6e n GLY 36 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3g6e n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 37 N -0.73 4.39 -0.18 1.61 2.02 -0.99 -4.70 118.70 120.11 3g6e s GLU 37 Ca 0.00 2.05 -0.25 0.00 0.02 0.00 0.00 54.97 56.79 3g6e s GLU 37 Cb 0.00 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 3g6e s GLU 37 CO 0.00 -0.25 0.82 0.15 0.02 0.00 0.00 175.26 176.00 3g6e s LYS 38 N -0.10 4.27 0.01 1.61 -0.14 -1.26 -1.11 119.74 123.02 3g6e s LYS 38 Ca 0.57 0.98 0.06 0.00 -1.36 0.00 0.00 55.97 56.22 3g6e s LYS 38 Cb -0.36 -3.58 -0.02 0.00 -1.68 0.00 0.00 37.83 32.18 3g6e s LYS 38 CO 0.38 -0.35 -0.18 0.14 -0.76 0.00 0.00 175.35 174.58 3g6e s VAL 39 N 2.23 1.45 0.07 3.17 -7.23 -0.65 -1.85 120.40 117.60 3g6e s VAL 39 Ca 0.37 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 59.40 3g6e s VAL 39 Cb -0.16 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.48 3g6e s VAL 39 CO 0.11 0.30 0.67 -1.00 -0.31 0.00 0.00 175.10 174.87 3g6e s HIS 40 N -0.58 3.79 -0.28 2.82 3.76 0.12 -1.19 115.29 123.73 3g6e s HIS 40 Ca 0.06 1.39 -0.10 0.00 -0.15 0.00 0.00 55.06 56.27 3g6e s HIS 40 Cb -0.08 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.92 3g6e s HIS 40 CO 0.00 0.45 0.15 -0.51 -0.85 0.00 0.00 174.74 173.99 3g6e s LEU 41 N -0.70 3.91 -0.24 0.89 1.02 0.41 -2.15 118.68 121.82 3g6e s LEU 41 Ca 0.33 -0.18 -0.08 0.00 0.02 0.00 0.00 54.13 54.22 3g6e s LEU 41 Cb -0.20 -2.05 0.10 0.00 0.02 0.00 0.00 46.19 44.06 3g6e s LEU 41 CO 0.21 -0.08 0.51 -0.75 0.02 0.00 0.00 176.35 176.26 3g6e s LYS 42 N 1.69 0.43 0.23 1.70 2.47 -0.67 -0.58 119.74 125.01 3g6e s LYS 42 Ca 0.06 1.19 -0.30 0.00 -1.56 0.00 0.00 55.97 55.37 3g6e s LYS 42 Cb -0.16 0.52 -0.09 0.00 -1.46 0.00 0.00 37.83 36.64 3g6e s LYS 42 CO 0.08 -0.23 1.28 0.42 0.16 0.00 0.00 175.35 177.06 3g6e s ILE 43 N 2.65 3.19 -0.33 5.43 1.01 -1.26 -4.37 121.20 127.52 3g6e s ILE 43 Ca -0.04 1.03 -0.18 0.00 0.00 0.00 0.00 60.65 61.46 3g6e s ILE 43 Cb -0.12 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3g6e s ILE 43 CO -0.15 0.18 0.52 -0.62 0.00 0.00 0.00 174.94 174.87 3g6e s ASP 44 N 0.07 6.35 0.53 3.58 -1.08 -1.26 -4.96 116.67 119.90 3g6e s ASP 44 Ca 0.54 0.13 0.23 0.00 -0.52 0.00 0.00 52.55 52.92 3g6e s ASP 44 Cb -0.36 -2.28 1.37 0.00 -1.46 0.00 0.00 42.92 40.19 3g6e s ASP 44 CO 0.41 -0.44 2.05 -0.65 0.52 0.00 0.00 175.17 177.05 3g6e h PRO 45 N 8.35 0.00 0.00 4.34 0.11 -1.89 -2.25 132.00 140.67 3g6e h PRO 45 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3g6e h PRO 45 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3g6e h PRO 45 CO 0.76 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.32 3g6e h SER 46 N 0.00 0.00 -3.63 -2.05 0.02 -1.91 -3.42 113.55 102.55 3g6e h SER 46 Ca 0.17 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.43 3g6e h SER 46 Cb 0.68 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.99 3g6e h SER 46 CO -0.00 0.00 -0.55 -0.69 -1.14 0.00 0.00 176.83 174.45 3g6e s VAL 47 N -3.26 4.49 0.02 2.27 1.01 -0.85 -4.78 120.40 119.30 3g6e s VAL 47 Ca 0.07 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3g6e s VAL 47 Cb 0.08 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.91 3g6e s VAL 47 CO 0.61 -0.04 1.26 -0.65 0.00 0.00 0.00 175.10 176.27 3g6e h PRO 48 N 8.36 0.30 -7.22 2.72 0.11 -1.83 -3.44 132.00 131.00 3g6e h PRO 48 Ca -0.29 -0.20 -0.50 0.00 0.11 0.00 0.00 66.00 65.12 3g6e h PRO 48 Cb 1.13 0.02 0.05 0.00 0.11 0.00 0.00 31.00 32.32 3g6e h PRO 48 CO 0.63 0.79 0.31 -0.80 -0.21 0.00 0.00 178.00 178.72 3g6e s ASN 49 N -6.18 6.11 -1.33 -2.05 -0.87 -1.26 -4.38 114.94 104.98 3g6e s ASN 49 Ca -0.14 1.19 0.00 0.00 -1.57 0.00 0.00 52.86 52.33 3g6e s ASN 49 Cb 0.04 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 3g6e s ASN 49 CO 0.75 -0.84 0.00 0.61 -2.57 0.00 0.00 177.10 175.05 3g6e n GLY 50 N -2.62 1.18 3.88 0.66 0.00 -1.26 -4.90 105.19 102.13 3g6e n GLY 50 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3g6e n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g6e s ARG 51 N -3.28 3.32 0.53 1.61 0.52 -1.26 -2.50 118.95 117.90 3g6e s ARG 51 Ca 0.00 0.57 0.04 0.00 -0.52 0.00 0.00 55.73 55.81 3g6e s ARG 51 Cb 0.00 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.41 3g6e s ARG 51 CO 0.00 -0.69 0.31 1.97 0.02 0.00 0.00 175.30 176.91 3g6e n PHE 52 N -2.78 -0.19 -2.29 -0.53 1.16 -1.26 -4.88 117.46 106.68 3g6e n PHE 52 Ca 0.06 -2.33 -0.42 0.00 -1.87 0.00 0.00 57.45 52.88 3g6e n PHE 52 Cb 0.55 -0.42 -0.03 0.00 -1.61 0.00 0.00 39.48 37.98 3g6e n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3g6e s HIS 53 N -2.71 2.72 0.27 2.97 5.65 -1.26 -4.88 115.29 118.05 3g6e s HIS 53 Ca 0.24 0.82 0.07 0.00 0.25 0.00 0.00 55.06 56.44 3g6e s HIS 53 Cb -0.02 -3.62 0.40 0.00 -1.18 0.00 0.00 32.58 28.16 3g6e s HIS 53 CO 0.15 -2.28 1.07 -1.35 -0.65 0.00 0.00 174.74 171.69 3g6e h PRO 54 N 8.26 0.00 0.00 2.88 0.11 -1.98 0.37 132.00 141.63 3g6e h PRO 54 Ca -0.33 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3g6e h PRO 54 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3g6e h PRO 54 CO 0.94 0.00 -0.21 -0.09 -0.21 0.00 0.00 178.00 178.43 3g6e h ARG 55 N 0.00 0.00 -0.26 1.05 2.43 -1.89 -2.91 114.38 112.80 3g6e h ARG 55 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3g6e h ARG 55 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3g6e h ARG 55 CO 0.00 0.21 0.00 1.19 -1.51 0.00 0.00 179.97 179.86 3g6e n PHE 56 N -3.47 0.34 -2.00 2.20 3.72 0.12 -4.91 117.46 113.45 3g6e n PHE 56 Ca -0.00 -0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 3g6e n PHE 56 Cb 0.38 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.89 3g6e n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g6e s ASP 57 N -1.39 6.67 0.00 4.37 1.11 -1.10 -2.51 116.67 123.81 3g6e s ASP 57 Ca 0.31 2.38 0.00 0.00 0.18 0.00 0.00 52.55 55.43 3g6e s ASP 57 Cb 0.17 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.60 3g6e s ASP 57 CO 0.25 -0.85 0.00 0.61 1.18 0.00 0.00 175.17 176.36 3g6e n GLY 58 N 3.91 0.83 3.78 0.21 0.00 0.25 -5.03 105.19 109.15 3g6e n GLY 58 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3g6e n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g6e s GLN 59 N -0.65 3.23 -0.35 1.61 -1.52 -1.04 -4.79 119.66 116.14 3g6e s GLN 59 Ca 0.00 1.41 0.03 0.00 -1.95 0.00 0.00 55.36 54.85 3g6e s GLN 59 Cb 0.00 -2.01 0.10 0.00 -0.22 0.00 0.00 33.01 30.89 3g6e s GLN 59 CO 0.00 -0.91 0.08 0.99 -0.25 0.00 0.00 175.29 175.20 3g6e s THR 60 N -2.14 1.98 0.13 -0.19 2.01 -1.26 -0.45 115.64 115.72 3g6e s THR 60 Ca 0.68 -2.24 0.01 0.00 0.31 0.00 0.00 61.69 60.44 3g6e s THR 60 Cb -0.20 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.88 3g6e s THR 60 CO 0.33 -0.64 0.18 0.61 -0.69 0.00 0.00 174.62 174.41 3g6e n GLY 61 N 4.25 1.21 2.96 4.40 0.00 -0.33 -4.88 105.19 112.81 3g6e n GLY 61 Ca 0.03 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 3g6e n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s THR 62 N -0.13 1.21 0.02 2.61 2.01 -0.55 -1.64 115.64 119.17 3g6e s THR 62 Ca 0.13 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 3g6e s THR 62 Cb -0.01 -1.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.26 3g6e s THR 62 CO 0.08 0.39 1.65 -0.69 -0.69 0.00 0.00 174.62 175.37 3g6e s VAL 63 N 1.42 3.27 -0.20 3.82 1.01 -0.26 -0.84 120.40 128.62 3g6e s VAL 63 Ca 0.01 0.58 0.15 0.00 0.00 0.00 0.00 61.98 62.71 3g6e s VAL 63 Cb -0.13 -3.37 0.45 0.00 0.00 0.00 0.00 36.38 33.32 3g6e s VAL 63 CO -0.06 -0.02 1.18 -0.62 0.00 0.00 0.00 175.10 175.58 3g6e n GLU 64 N 6.20 1.90 0.00 2.72 -0.58 -0.14 0.41 120.64 131.15 3g6e n GLU 64 Ca 0.16 -3.34 0.00 0.00 -0.42 0.00 0.00 57.16 53.56 3g6e n GLU 64 Cb 0.42 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3g6e n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g6e n GLY 65 N -0.61 0.85 3.03 0.62 0.00 -1.24 -4.92 105.19 102.92 3g6e n GLY 65 Ca 0.22 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 3g6e n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s LYS 66 N -0.94 0.44 -0.39 1.61 -2.85 -1.26 -1.14 119.74 115.21 3g6e s LYS 66 Ca 0.00 -0.86 0.03 0.00 -1.00 0.00 0.00 55.97 54.14 3g6e s LYS 66 Cb 0.00 0.15 0.11 0.00 -2.06 0.00 0.00 37.83 36.04 3g6e s LYS 66 CO 0.00 -0.08 0.14 -1.14 0.10 0.00 0.00 175.35 174.37 3g6e s GLN 67 N -2.47 1.37 6.30 1.78 0.74 -0.20 -4.86 119.66 122.32 3g6e s GLN 67 Ca -0.06 -1.86 0.00 0.00 0.05 0.00 0.00 55.36 53.48 3g6e s GLN 67 Cb -0.03 -2.80 0.00 0.00 1.10 0.00 0.00 33.01 31.29 3g6e s GLN 67 CO -0.05 -1.02 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3g6e n GLY 68 N 4.04 0.75 0.11 2.59 0.00 -1.26 -2.82 105.19 108.60 3g6e n GLY 68 Ca 0.04 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.51 3g6e n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g6e h ASP 69 N 0.00 0.00 -4.31 1.61 3.32 -2.00 -3.47 116.42 111.57 3g6e h ASP 69 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3g6e h ASP 69 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 3g6e h ASP 69 CO 0.00 0.22 0.39 0.00 -1.72 0.00 0.00 179.24 178.14 3g6e s ALA 70 N -3.19 2.91 0.14 3.45 0.00 -1.13 -4.75 121.76 119.19 3g6e s ALA 70 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.04 3g6e s ALA 70 Cb 0.09 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3g6e s ALA 70 CO 0.80 -0.83 0.17 0.71 0.00 0.00 0.00 175.76 176.60 3g6e s TYR 71 N -2.99 3.27 -0.40 0.00 1.51 0.11 -1.03 117.35 117.82 3g6e s TYR 71 Ca 0.57 0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 56.60 3g6e s TYR 71 Cb -0.12 -1.59 0.07 0.00 -0.11 0.00 0.00 41.96 40.21 3g6e s TYR 71 CO 0.50 0.52 0.22 0.15 -1.11 0.00 0.00 175.55 175.83 3g6e s LYS 72 N -2.96 2.59 -0.20 -0.62 1.02 -0.29 -0.36 119.74 118.92 3g6e s LYS 72 Ca 0.32 -1.40 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 3g6e s LYS 72 Cb -0.11 -3.71 -0.01 0.00 -0.52 0.00 0.00 37.83 33.48 3g6e s LYS 72 CO 0.25 -0.89 -0.05 0.08 -0.92 0.00 0.00 175.35 173.82 3g6e s VAL 73 N 1.41 3.49 -0.20 3.17 1.01 0.55 -0.97 120.40 128.86 3g6e s VAL 73 Ca 0.02 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 3g6e s VAL 73 Cb -0.22 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3g6e s VAL 73 CO 0.02 0.45 0.72 -1.81 0.00 0.00 0.00 175.10 174.48 3g6e s ASP 74 N 1.10 6.79 0.43 3.32 1.11 -0.02 -0.42 116.67 128.98 3g6e s ASP 74 Ca 0.01 0.96 0.03 0.00 0.18 0.00 0.00 52.55 53.74 3g6e s ASP 74 Cb -0.15 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 3g6e s ASP 74 CO -0.00 -0.35 0.05 0.27 1.18 0.00 0.00 175.17 176.31 3g6e s ILE 75 N 2.15 1.18 -0.28 0.77 -4.36 -0.21 -1.48 121.20 118.97 3g6e s ILE 75 Ca 0.32 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 3g6e s ILE 75 Cb -0.16 -2.48 0.09 0.00 1.25 0.00 0.00 42.46 41.15 3g6e s ILE 75 CO 0.11 0.00 0.07 -0.69 0.24 0.00 0.00 174.94 174.66 3g6e s VAL 76 N -3.00 0.96 -0.65 8.37 1.01 -1.26 -1.59 120.40 124.23 3g6e s VAL 76 Ca 0.21 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 3g6e s VAL 76 Cb 0.05 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.87 3g6e s VAL 76 CO 0.11 -0.52 1.04 -0.62 0.00 0.00 0.00 175.10 175.12 3g6e s ASP 77 N 1.60 6.21 0.07 3.32 2.15 0.10 -4.73 116.67 125.40 3g6e s ASP 77 Ca 0.06 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.34 3g6e s ASP 77 Cb -0.17 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3g6e s ASP 77 CO -0.19 -1.49 0.00 0.61 -0.17 0.00 0.00 175.17 173.93 3g6e n GLY 78 N 5.29 1.38 0.00 2.66 0.00 -1.26 -1.04 105.19 112.21 3g6e n GLY 78 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3g6e n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 79 N 0.00 0.60 3.72 -0.02 0.00 -1.26 -5.05 105.19 103.18 3g6e n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3g6e n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6e s LYS 80 N -0.38 4.26 -0.02 1.61 2.20 -0.21 -5.07 119.74 122.14 3g6e s LYS 80 Ca 0.00 0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 3g6e s LYS 80 Cb 0.00 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3g6e s LYS 80 CO 0.00 0.19 1.02 -1.21 -0.36 0.00 0.00 175.35 174.99 3g6e s GLU 81 N 0.59 4.51 0.09 4.03 2.02 -1.26 0.03 118.70 128.70 3g6e s GLU 81 Ca 0.18 1.46 0.05 0.00 0.02 0.00 0.00 54.97 56.68 3g6e s GLU 81 Cb -0.13 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 3g6e s GLU 81 CO 0.05 -0.15 -0.12 0.15 0.02 0.00 0.00 175.26 175.21 3g6e s LYS 82 N 1.29 0.84 -0.21 1.61 1.02 -0.62 -4.94 119.74 118.73 3g6e s LYS 82 Ca 0.52 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 3g6e s LYS 82 Cb -0.21 -0.71 -0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3g6e s LYS 82 CO 0.26 0.14 -0.08 0.99 -0.92 0.00 0.00 175.35 175.74 3g6e s THR 83 N -1.78 3.10 -0.19 2.17 2.01 -1.26 -1.05 115.64 118.64 3g6e s THR 83 Ca 0.01 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 3g6e s THR 83 Cb -0.07 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3g6e s THR 83 CO 0.02 0.45 0.04 -0.63 -0.69 0.00 0.00 174.62 173.81 3g6e s ILE 84 N 1.42 4.51 -0.34 1.82 1.01 0.43 -4.90 121.20 125.15 3g6e s ILE 84 Ca 0.05 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 3g6e s ILE 84 Cb -0.14 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3g6e s ILE 84 CO -0.05 0.45 0.74 -0.63 0.00 0.00 0.00 174.94 175.44 3g6e s ILE 85 N 0.59 4.80 -0.13 2.92 -1.09 -1.26 -0.33 121.20 126.70 3g6e s ILE 85 Ca 0.02 0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 59.23 3g6e s ILE 85 Cb -0.13 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.64 3g6e s ILE 85 CO 0.02 -0.33 0.33 0.54 -1.23 0.00 0.00 174.94 174.27 3g6e s VAL 86 N 2.93 -0.01 0.61 2.92 0.11 0.51 -4.56 120.40 122.91 3g6e s VAL 86 Ca 0.29 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.27 3g6e s VAL 86 Cb -0.14 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3g6e s VAL 86 CO 0.15 0.01 1.01 0.42 -3.33 0.00 0.00 175.10 173.36 3g6e s THR 87 N 0.50 4.67 0.55 5.04 -4.23 -1.04 0.04 115.64 121.16 3g6e s THR 87 Ca -0.03 0.80 0.23 0.00 -1.18 0.00 0.00 61.69 61.51 3g6e s THR 87 Cb -0.04 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 70.28 3g6e s THR 87 CO -0.03 -1.10 2.10 0.00 -0.54 0.00 0.00 174.62 175.06 3g6e h ALA 88 N -0.29 2.05 -0.21 3.99 0.00 -1.84 -2.39 119.26 120.58 3g6e h ALA 88 Ca -0.44 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3g6e h ALA 88 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3g6e h ALA 88 CO 0.62 -0.26 0.23 0.00 0.00 0.00 0.00 179.25 179.84 3g6e h ALA 89 N 1.87 1.87 -0.36 0.00 0.00 -1.75 -0.21 119.26 120.67 3g6e h ALA 89 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g6e h ALA 89 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3g6e h ALA 89 CO -0.00 -0.34 0.00 0.72 0.00 0.00 0.00 179.25 179.63 3g6e n HIS 90 N -3.84 0.64 -4.73 0.00 -0.00 -0.90 -4.49 115.22 101.89 3g6e n HIS 90 Ca 0.02 -0.58 -0.29 0.00 -0.00 0.00 0.00 57.72 56.87 3g6e n HIS 90 Cb 0.36 -0.10 -0.14 0.00 -0.00 0.00 0.00 29.99 30.11 3g6e n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3g6e s LEU 91 N -1.42 2.21 -0.02 2.41 1.43 -0.09 -1.67 118.68 121.53 3g6e s LEU 91 Ca 0.30 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3g6e s LEU 91 Cb 0.18 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 45.19 3g6e s LEU 91 CO 0.16 0.22 -0.04 -0.13 0.23 0.00 0.00 176.35 176.78 3g6e s ARG 92 N -1.45 0.51 0.27 1.70 1.81 -0.92 -4.95 118.95 115.92 3g6e s ARG 92 Ca 0.12 -0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 53.70 3g6e s ARG 92 Cb -0.10 -0.53 -0.10 0.00 -0.45 0.00 0.00 34.95 33.77 3g6e s ARG 92 CO 0.03 0.03 1.26 0.50 -0.68 0.00 0.00 175.30 176.44 3g6e s ARG 93 N 0.31 4.44 -0.11 3.54 3.52 -1.26 0.11 118.95 129.49 3g6e s ARG 93 Ca -0.03 2.06 -0.30 0.00 -0.13 0.00 0.00 55.73 57.33 3g6e s ARG 93 Cb -0.07 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 3g6e s ARG 93 CO -0.00 -0.12 1.33 -1.14 -0.81 0.00 0.00 175.30 174.56 3g6e s GLN 94 N -1.08 4.25 0.00 5.12 0.74 -0.77 -4.82 119.66 123.10 3g6e s GLN 94 Ca 0.51 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.70 3g6e s GLN 94 Cb -0.37 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 29.99 3g6e s GLN 94 CO 0.45 -0.68 0.00 0.39 -0.55 0.00 0.00 175.29 174.90