#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6fd1 s PHE 2 N 0.00 3.48 -0.02 0.00 0.40 -1.26 -0.71 117.98 119.87 6fd1 s PHE 2 Ca 0.00 0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 6fd1 s PHE 2 Cb 0.00 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.71 6fd1 s PHE 2 CO 0.00 0.28 -0.01 0.08 0.70 0.00 0.00 175.22 176.27 6fd1 s VAL 3 N -2.06 0.22 -0.03 -0.44 1.01 0.32 -4.71 120.40 114.70 6fd1 s VAL 3 Ca 0.39 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 6fd1 s VAL 3 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 6fd1 s VAL 3 CO 0.32 0.13 0.73 -0.69 0.00 0.00 0.00 175.10 175.59 6fd1 s VAL 4 N 0.74 4.96 0.00 2.92 1.01 -1.26 -1.43 120.40 127.33 6fd1 s VAL 4 Ca -0.08 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.43 6fd1 s VAL 4 Cb -0.11 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.20 6fd1 s VAL 4 CO -0.01 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.72 6fd1 n THR 5 N 3.52 0.00 -0.29 3.92 -2.24 0.19 -4.88 114.28 114.50 6fd1 n THR 5 Ca -0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 6fd1 n THR 5 Cb 0.51 -0.13 0.31 0.00 -2.10 0.00 0.00 70.33 68.92 6fd1 n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 6fd1 h ASP 6 N 0.00 0.77 0.67 3.42 3.58 -1.94 -2.65 116.42 120.27 6fd1 h ASP 6 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 6fd1 h ASP 6 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 6fd1 h ASP 6 CO 0.00 0.43 0.00 -3.20 -2.88 0.00 0.00 179.24 173.59 6fd1 n ASN 7 N -4.56 0.40 -0.14 2.28 5.15 -1.26 -1.80 115.26 115.34 6fd1 n ASN 7 Ca 0.17 0.60 -0.04 0.00 -0.60 0.00 0.00 54.58 54.70 6fd1 n ASN 7 Cb 0.37 -0.68 0.16 0.00 -0.53 0.00 0.00 39.78 39.10 6fd1 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 6fd1 n ILE 9 N -4.24 0.19 -1.05 0.00 5.41 -0.75 -0.78 119.36 118.14 6fd1 n ILE 9 Ca 0.03 -0.05 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 6fd1 n ILE 9 Cb 0.26 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.34 6fd1 n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 6fd1 n LYS 10 N 3.48 -1.34 0.00 0.38 5.02 -0.75 -4.79 118.16 120.16 6fd1 n LYS 10 Ca 0.15 0.43 -0.01 0.00 -2.02 0.00 0.00 58.31 56.86 6fd1 n LYS 10 Cb 0.33 -4.47 -0.00 0.00 -0.02 0.00 0.00 35.03 30.87 6fd1 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 6fd1 n LYS 12 N -2.82 -1.84 -0.03 0.00 4.81 0.04 -2.32 118.16 116.01 6fd1 n LYS 12 Ca -0.01 0.47 -0.03 0.00 -0.87 0.00 0.00 58.31 57.87 6fd1 n LYS 12 Cb 0.04 -4.32 0.20 0.00 0.02 0.00 0.00 35.03 30.97 6fd1 n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 6fd1 h TYR 13 N -1.86 0.65 -0.21 5.64 0.05 -1.91 -3.34 116.97 115.98 6fd1 h TYR 13 Ca -0.65 -0.11 -0.09 0.00 0.05 0.00 0.00 58.73 57.93 6fd1 h TYR 13 Cb 1.36 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.89 6fd1 h TYR 13 CO 0.37 0.70 -0.08 0.25 -1.05 0.00 0.00 178.16 178.34 6fd1 n THR 14 N -4.18 0.00 -0.05 -2.88 -2.24 -1.26 -4.11 114.28 99.56 6fd1 n THR 14 Ca 0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 6fd1 n THR 14 Cb 0.34 -0.80 0.48 0.00 -2.10 0.00 0.00 70.33 68.25 6fd1 n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 6fd1 h ASP 15 N 0.00 0.39 -0.58 3.42 5.19 -1.89 -2.95 116.42 119.99 6fd1 h ASP 15 Ca -0.09 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.35 6fd1 h ASP 15 Cb 0.55 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 6fd1 h ASP 15 CO 0.14 0.25 0.39 0.00 -3.12 0.00 0.00 179.24 176.89 6fd1 h VAL 17 N 0.68 0.95 -0.03 0.00 -1.51 -1.89 -2.95 116.25 111.49 6fd1 h VAL 17 Ca 0.23 -1.16 -0.11 0.00 -1.23 0.00 0.00 66.70 64.43 6fd1 h VAL 17 Cb 0.09 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 6fd1 h VAL 17 CO -0.06 0.30 -0.49 1.05 -1.23 0.00 0.00 177.57 177.14 6fd1 h GLU 18 N 0.00 0.08 -0.02 5.19 4.11 -1.69 -2.74 114.58 119.51 6fd1 h GLU 18 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.38 6fd1 h GLU 18 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 6fd1 h GLU 18 CO 0.04 0.55 -0.14 1.33 0.07 0.00 0.00 179.01 180.87 6fd1 n VAL 19 N -3.96 0.00 -2.49 -1.06 0.24 -1.12 -4.93 118.33 105.02 6fd1 n VAL 19 Ca -0.02 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.34 61.54 6fd1 n VAL 19 Cb 0.52 0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 6fd1 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6fd1 h PRO 21 N 8.67 0.00 -0.11 0.00 0.13 -1.91 -3.23 132.00 135.54 6fd1 h PRO 21 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 6fd1 h PRO 21 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 6fd1 h PRO 21 CO 1.02 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.12 6fd1 n VAL 22 N -2.71 0.62 -3.69 1.56 0.24 -1.26 -5.03 118.33 108.06 6fd1 n VAL 22 Ca 0.02 -0.81 -0.28 0.00 -2.04 0.00 0.00 64.34 61.24 6fd1 n VAL 22 Cb 0.34 0.74 0.03 0.00 -1.47 0.00 0.00 33.84 33.48 6fd1 n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 6fd1 n ASP 23 N 0.14 -4.03 -1.16 -1.34 8.00 -1.22 -4.92 116.55 112.01 6fd1 n ASP 23 Ca 0.05 -0.96 -0.01 0.00 0.71 0.00 0.00 54.79 54.58 6fd1 n ASP 23 Cb 0.27 -3.60 0.22 0.00 -0.02 0.00 0.00 41.12 37.98 6fd1 n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 6fd1 s PHE 25 N -3.11 3.61 -0.02 0.00 0.40 -1.26 -0.99 117.98 116.61 6fd1 s PHE 25 Ca 0.45 0.63 0.05 0.00 -0.60 0.00 0.00 56.93 57.46 6fd1 s PHE 25 Cb 0.39 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 6fd1 s PHE 25 CO 0.04 0.66 -0.17 0.71 0.70 0.00 0.00 175.22 177.16 6fd1 s TYR 26 N -0.87 1.59 -0.16 0.36 1.51 -0.13 -1.37 117.35 118.27 6fd1 s TYR 26 Ca 0.17 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 6fd1 s TYR 26 Cb -0.13 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 6fd1 s TYR 26 CO 0.06 -0.06 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.42 6fd1 s GLU 27 N -0.28 3.71 0.43 -0.62 2.12 0.27 -1.11 118.70 123.22 6fd1 s GLU 27 Ca 0.04 -0.49 0.07 0.00 0.36 0.00 0.00 54.97 54.95 6fd1 s GLU 27 Cb -0.08 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 6fd1 s GLU 27 CO 0.00 0.22 0.25 0.20 -0.54 0.00 0.00 175.26 175.39 6fd1 s GLY 28 N 0.43 2.31 0.48 -1.50 0.00 0.10 -4.09 107.32 105.06 6fd1 s GLY 28 Ca -0.03 -1.92 0.14 0.00 0.00 0.00 0.00 44.72 42.92 6fd1 s GLY 28 CO 0.02 -1.87 2.09 -2.55 0.00 0.00 0.00 173.10 170.79 6fd1 h PRO 29 N 1.25 0.19 0.00 2.90 0.11 -1.87 -3.29 132.00 131.29 6fd1 h PRO 29 Ca -0.42 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 6fd1 h PRO 29 Cb 1.26 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 6fd1 h PRO 29 CO 0.66 0.12 -0.66 0.27 -0.21 0.00 0.00 178.00 178.17 6fd1 n ASN 30 N -4.50 0.35 -3.47 -2.05 6.94 -1.26 -5.04 115.26 106.22 6fd1 n ASN 30 Ca 0.01 -2.02 -0.13 0.00 -0.02 0.00 0.00 54.58 52.42 6fd1 n ASN 30 Cb 0.17 -0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 6fd1 n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 6fd1 s PHE 31 N -0.05 -0.53 0.20 -2.53 5.36 -1.24 -1.82 117.98 117.37 6fd1 s PHE 31 Ca 0.11 0.57 0.11 0.00 -0.96 0.00 0.00 56.93 56.76 6fd1 s PHE 31 Cb 0.13 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.27 6fd1 s PHE 31 CO -0.05 -0.69 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.28 6fd1 s LEU 32 N -2.13 2.50 0.10 6.12 1.02 -1.26 -0.72 118.68 124.31 6fd1 s LEU 32 Ca -0.02 -0.86 0.03 0.00 0.02 0.00 0.00 54.13 53.29 6fd1 s LEU 32 Cb -0.01 -1.20 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 6fd1 s LEU 32 CO -0.05 0.11 -0.08 0.68 0.02 0.00 0.00 176.35 177.03 6fd1 s VAL 33 N -1.77 0.82 -0.19 -1.59 -7.23 -0.27 -4.74 120.40 105.43 6fd1 s VAL 33 Ca 0.22 -1.80 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 6fd1 s VAL 33 Cb -0.08 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 6fd1 s VAL 33 CO 0.11 -0.73 0.07 -0.63 -0.31 0.00 0.00 175.10 173.61 6fd1 s ILE 34 N -3.06 4.78 -0.34 -0.62 1.01 -1.26 -0.96 121.20 120.75 6fd1 s ILE 34 Ca 0.09 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 6fd1 s ILE 34 Cb 0.01 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.31 6fd1 s ILE 34 CO -0.02 0.44 1.38 -2.28 0.00 0.00 0.00 174.94 174.45 6fd1 s HIS 35 N 0.57 2.50 0.26 3.97 5.65 -0.16 -4.45 115.29 123.63 6fd1 s HIS 35 Ca 0.04 0.75 0.16 0.00 0.25 0.00 0.00 55.06 56.26 6fd1 s HIS 35 Cb -0.13 -4.10 0.67 0.00 -1.18 0.00 0.00 32.58 27.84 6fd1 s HIS 35 CO 0.01 -1.94 1.75 -1.00 -0.65 0.00 0.00 174.74 172.91 6fd1 h PRO 36 N 10.06 0.00 0.00 2.88 0.13 -1.89 -1.68 132.00 141.51 6fd1 h PRO 36 Ca -0.27 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 6fd1 h PRO 36 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 6fd1 h PRO 36 CO 1.05 0.42 -0.40 -0.44 -0.23 0.00 0.00 178.00 178.40 6fd1 h ASP 37 N 0.00 0.00 0.35 1.44 3.32 -1.99 -3.33 116.42 116.20 6fd1 h ASP 37 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 6fd1 h ASP 37 Cb 0.85 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.42 6fd1 h ASP 37 CO 0.05 0.40 -1.52 -0.33 -1.72 0.00 0.00 179.24 176.13 6fd1 h GLU 38 N 0.00 0.41 -6.61 3.56 5.08 -1.87 -3.46 114.58 111.68 6fd1 h GLU 38 Ca -0.00 -0.70 -0.58 0.00 -1.00 0.00 0.00 59.36 57.08 6fd1 h GLU 38 Cb 1.21 0.26 0.09 0.00 0.50 0.00 0.00 28.75 30.81 6fd1 h GLU 38 CO 0.05 1.32 0.56 0.00 -1.00 0.00 0.00 179.01 179.94 6fd1 n ILE 40 N 1.48 1.00 -2.75 0.00 -5.35 -1.26 -4.73 119.36 107.75 6fd1 n ILE 40 Ca 0.10 -1.00 -0.20 0.00 -0.27 0.00 0.00 62.75 61.38 6fd1 n ILE 40 Cb 0.32 0.50 0.02 0.00 -1.74 0.00 0.00 39.64 38.75 6fd1 n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 6fd1 n ASP 41 N 0.80 -5.71 0.15 7.28 8.00 -1.26 -4.89 116.55 120.92 6fd1 n ASP 41 Ca 0.15 -0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.60 6fd1 n ASP 41 Cb 0.48 -4.61 0.49 0.00 -0.02 0.00 0.00 41.12 37.46 6fd1 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 6fd1 n ALA 43 N -1.83 0.00 0.17 0.00 0.00 -1.26 -4.89 120.51 112.69 6fd1 n ALA 43 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.50 6fd1 n ALA 43 Cb 0.29 -0.58 0.24 0.00 0.00 0.00 0.00 19.45 19.40 6fd1 n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 6fd1 h LEU 44 N 0.00 0.00 -1.01 0.00 3.38 -1.91 -2.75 115.31 113.01 6fd1 h LEU 44 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 6fd1 h LEU 44 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 6fd1 h LEU 44 CO 0.00 0.47 -0.40 0.00 0.09 0.00 0.00 178.44 178.60 6fd1 h GLU 46 N 0.00 -0.12 0.00 0.00 4.22 -1.82 -1.66 114.58 115.20 6fd1 h GLU 46 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 6fd1 h GLU 46 Cb 0.87 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.14 6fd1 h GLU 46 CO 0.05 -0.08 0.00 -0.35 -2.18 0.00 0.00 179.01 176.46 6fd1 n PRO 47 N -5.19 0.05 0.16 0.92 -0.04 -1.26 -3.55 135.00 126.09 6fd1 n PRO 47 Ca -0.06 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 6fd1 n PRO 47 Cb 0.12 -1.58 0.08 0.00 -0.04 0.00 0.00 33.50 32.07 6fd1 n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 6fd1 h GLU 48 N 0.00 0.00 -6.32 0.54 4.39 -1.46 -3.45 114.58 108.27 6fd1 h GLU 48 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 6fd1 h GLU 48 Cb 0.40 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 6fd1 h GLU 48 CO 0.00 0.03 0.95 0.00 -1.16 0.00 0.00 179.01 178.83 6fd1 h PRO 50 N 9.00 0.00 -0.00 0.00 0.11 -1.93 -1.20 132.00 137.99 6fd1 h PRO 50 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 6fd1 h PRO 50 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 6fd1 h PRO 50 CO 1.02 0.08 -0.04 0.00 -0.21 0.00 0.00 178.00 178.85 6fd1 n ALA 51 N -2.20 2.50 -3.57 -0.75 0.00 -1.26 -4.92 120.51 110.30 6fd1 n ALA 51 Ca -0.01 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 6fd1 n ALA 51 Cb 0.23 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.24 6fd1 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 6fd1 n GLN 52 N -1.37 -4.14 0.04 0.00 6.02 -0.45 -4.84 117.38 112.65 6fd1 n GLN 52 Ca 0.10 0.55 0.12 0.00 -0.01 0.00 0.00 57.00 57.76 6fd1 n GLN 52 Cb 0.30 -5.33 0.21 0.00 1.02 0.00 0.00 30.24 26.44 6fd1 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 6fd1 n ALA 53 N -3.94 3.08 -2.61 -1.58 0.00 -1.26 -4.88 120.51 109.31 6fd1 n ALA 53 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 6fd1 n ALA 53 Cb 0.54 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 6fd1 n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 6fd1 s ILE 54 N -3.11 5.10 0.05 0.00 1.01 -1.26 -0.64 121.20 122.35 6fd1 s ILE 54 Ca 0.08 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.68 6fd1 s ILE 54 Cb 0.15 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 6fd1 s ILE 54 CO 0.71 0.43 -0.10 -0.36 0.00 0.00 0.00 174.94 175.62 6fd1 s PHE 55 N -0.09 0.88 0.35 3.97 0.40 -0.52 -4.87 117.98 118.11 6fd1 s PHE 55 Ca 0.25 -0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 55.87 6fd1 s PHE 55 Cb -0.16 -0.52 -0.12 0.00 0.51 0.00 0.00 43.02 42.73 6fd1 s PHE 55 CO 0.12 -0.02 1.27 0.45 0.70 0.00 0.00 175.22 177.73 6fd1 n SER 56 N 1.59 2.64 -0.30 1.36 2.88 -1.26 -0.52 113.62 120.00 6fd1 n SER 56 Ca -0.21 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 6fd1 n SER 56 Cb 0.55 -1.47 0.30 0.00 -0.75 0.00 0.00 64.21 62.84 6fd1 n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 6fd1 h GLU 57 N 2.44 0.29 0.00 -1.46 4.81 -1.23 0.42 114.58 119.85 6fd1 h GLU 57 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 6fd1 h GLU 57 Cb 1.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.60 6fd1 h GLU 57 CO 0.62 0.19 0.00 -0.40 -0.73 0.00 0.00 179.01 178.69 6fd1 n ASP 58 N -5.14 0.00 -0.13 1.04 5.68 -1.26 -2.67 116.55 114.07 6fd1 n ASP 58 Ca 0.22 -0.42 0.01 0.00 -0.50 0.00 0.00 54.79 54.10 6fd1 n ASP 58 Cb 0.68 -0.14 0.03 0.00 -1.14 0.00 0.00 41.12 40.55 6fd1 n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 6fd1 n GLU 59 N -1.14 2.39 -1.94 0.11 1.02 0.12 -5.04 120.64 116.16 6fd1 n GLU 59 Ca 0.15 -1.46 -0.42 0.00 -0.02 0.00 0.00 57.16 55.40 6fd1 n GLU 59 Cb 0.13 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 6fd1 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 6fd1 s VAL 60 N -0.87 2.91 0.67 2.62 1.01 -1.09 -4.87 120.40 120.78 6fd1 s VAL 60 Ca 0.05 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 6fd1 s VAL 60 Cb 0.03 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 6fd1 s VAL 60 CO 0.03 0.01 1.07 -2.65 0.00 0.00 0.00 175.10 173.57 6fd1 n PRO 61 N 5.01 0.77 -0.33 2.72 -0.02 -1.26 -4.81 135.00 137.08 6fd1 n PRO 61 Ca 0.15 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 6fd1 n PRO 61 Cb 0.40 -2.31 0.24 0.00 -0.02 0.00 0.00 33.50 31.81 6fd1 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 6fd1 h GLU 62 N 0.14 0.81 0.00 -0.52 4.22 -2.02 -1.04 114.58 116.17 6fd1 h GLU 62 Ca -0.49 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.90 6fd1 h GLU 62 Cb 1.34 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.41 6fd1 h GLU 62 CO 0.50 0.53 0.00 -0.40 -2.18 0.00 0.00 179.01 177.46 6fd1 n ASP 63 N -4.73 0.00 -0.19 1.04 5.75 -1.26 -3.15 116.55 114.02 6fd1 n ASP 63 Ca 0.19 -1.19 0.05 0.00 -0.01 0.00 0.00 54.79 53.82 6fd1 n ASP 63 Cb 0.40 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.56 6fd1 n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 6fd1 n MET 64 N -0.84 0.99 -0.01 0.11 2.81 -0.40 -4.86 117.12 114.93 6fd1 n MET 64 Ca 0.14 -1.76 0.12 0.00 -1.81 0.00 0.00 57.70 54.39 6fd1 n MET 64 Cb 0.07 -1.03 0.54 0.00 -0.71 0.00 0.00 33.22 32.08 6fd1 n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 6fd1 h GLN 65 N 0.00 0.30 -0.08 0.03 1.08 -1.48 -0.98 115.11 113.98 6fd1 h GLN 65 Ca 0.00 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 6fd1 h GLN 65 Cb 1.06 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.42 6fd1 h GLN 65 CO 0.00 0.20 0.09 1.05 -0.95 0.00 0.00 178.83 179.22 6fd1 h GLU 66 N 0.30 0.00 0.00 1.46 9.09 -1.89 -1.73 114.58 121.82 6fd1 h GLU 66 Ca 0.21 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.59 6fd1 h GLU 66 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 6fd1 h GLU 66 CO -0.05 0.00 -0.17 0.74 0.05 0.00 0.00 179.01 179.58 6fd1 h PHE 67 N 0.00 0.00 0.31 2.06 -1.00 -1.53 -2.53 116.94 114.25 6fd1 h PHE 67 Ca 0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 6fd1 h PHE 67 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 6fd1 h PHE 67 CO 0.00 0.17 -0.15 0.82 -1.61 0.00 0.00 178.31 177.54 6fd1 h ILE 68 N 0.00 0.72 -0.45 -0.55 2.04 -1.49 -0.59 117.51 117.20 6fd1 h ILE 68 Ca -0.00 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 6fd1 h ILE 68 Cb 0.46 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 6fd1 h ILE 68 CO 0.02 0.06 -0.08 -0.61 0.00 0.00 0.00 178.15 177.54 6fd1 h GLN 69 N -0.57 0.79 -0.84 2.37 4.15 -1.72 -2.73 115.11 116.56 6fd1 h GLN 69 Ca -0.04 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.13 6fd1 h GLN 69 Cb 0.42 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 6fd1 h GLN 69 CO 0.07 0.86 0.53 1.25 -1.93 0.00 0.00 178.83 179.61 6fd1 h LEU 70 N 0.72 0.99 -0.32 -2.39 5.85 -1.33 -0.68 115.31 118.15 6fd1 h LEU 70 Ca 0.13 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 6fd1 h LEU 70 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 6fd1 h LEU 70 CO 0.03 0.75 0.18 0.78 -0.34 0.00 0.00 178.44 179.84 6fd1 h ASN 71 N 1.15 0.40 -0.97 1.25 -0.26 -0.93 -0.75 115.58 115.48 6fd1 h ASN 71 Ca 0.31 -0.08 0.04 0.00 -0.56 0.00 0.00 56.30 56.01 6fd1 h ASN 71 Cb -0.09 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.01 6fd1 h ASN 71 CO -0.06 0.36 0.63 0.00 -1.06 0.00 0.00 177.43 177.30 6fd1 h ALA 72 N 1.05 1.29 0.08 -0.83 0.00 -1.05 -0.96 119.26 118.85 6fd1 h ALA 72 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 6fd1 h ALA 72 Cb 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.50 6fd1 h ALA 72 CO -0.02 0.50 -0.04 0.93 0.00 0.00 0.00 179.25 180.62 6fd1 h GLU 73 N 1.21 -0.11 0.00 0.00 4.39 -0.99 -3.28 114.58 115.80 6fd1 h GLU 73 Ca 0.39 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.02 6fd1 h GLU 73 Cb 0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 6fd1 h GLU 73 CO -0.13 0.35 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.63 6fd1 h LEU 74 N -0.63 0.00 -2.36 1.33 3.38 -1.06 -2.62 115.31 113.35 6fd1 h LEU 74 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 6fd1 h LEU 74 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 6fd1 h LEU 74 CO 0.02 0.37 -0.04 0.00 0.09 0.00 0.00 178.44 178.88 6fd1 h ALA 75 N 1.63 1.30 0.00 1.53 0.00 -1.23 -1.13 119.26 121.36 6fd1 h ALA 75 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 6fd1 h ALA 75 Cb 0.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 6fd1 h ALA 75 CO 0.05 0.05 -0.23 0.93 0.00 0.00 0.00 179.25 180.05 6fd1 h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.55 -3.38 114.58 114.04 6fd1 h GLU 76 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 6fd1 h GLU 76 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 6fd1 h GLU 76 CO 0.00 0.23 -1.43 1.33 -1.16 0.00 0.00 179.01 177.98 6fd1 n VAL 77 N -3.19 0.16 -3.71 3.13 0.24 -0.78 -5.04 118.33 109.14 6fd1 n VAL 77 Ca 0.02 -0.23 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 6fd1 n VAL 77 Cb 0.58 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 6fd1 n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 6fd1 s TRP 78 N -2.47 3.48 0.44 6.34 0.51 -0.50 -5.07 118.94 121.67 6fd1 s TRP 78 Ca -0.03 0.21 -0.22 0.00 -2.12 0.00 0.00 56.10 53.94 6fd1 s TRP 78 Cb 0.05 -1.76 -0.09 0.00 -0.81 0.00 0.00 33.47 30.85 6fd1 s TRP 78 CO 0.34 0.33 1.02 -1.25 -0.51 0.00 0.00 176.95 176.88 6fd1 s PRO 79 N -3.83 4.02 0.43 4.98 0.04 -1.26 -4.69 135.00 134.69 6fd1 s PRO 79 Ca 0.37 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 6fd1 s PRO 79 Cb -0.10 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 6fd1 s PRO 79 CO 0.31 -0.24 1.36 1.21 0.04 0.00 0.00 177.00 179.69 6fd1 s ASN 80 N -1.91 6.08 -0.09 6.66 3.04 -1.26 -0.56 114.94 126.90 6fd1 s ASN 80 Ca 0.63 2.78 0.02 0.00 0.04 0.00 0.00 52.86 56.33 6fd1 s ASN 80 Cb -0.16 -2.65 0.01 0.00 -1.54 0.00 0.00 41.25 36.92 6fd1 s ASN 80 CO 0.20 -1.02 -0.15 -0.51 -3.04 0.00 0.00 177.10 172.58 6fd1 s ILE 81 N -1.24 1.44 0.00 -5.21 2.07 -0.47 -4.79 121.20 113.00 6fd1 s ILE 81 Ca 0.59 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 6fd1 s ILE 81 Cb -0.41 -1.30 0.00 0.00 0.13 0.00 0.00 42.46 40.88 6fd1 s ILE 81 CO 0.52 0.43 0.27 0.35 -1.91 0.00 0.00 174.94 174.59 6fd1 n THR 82 N 3.95 0.00 -4.69 4.00 -2.24 -1.26 -4.44 114.28 109.59 6fd1 n THR 82 Ca -0.20 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.06 6fd1 n THR 82 Cb 0.52 1.44 -0.15 0.00 -2.10 0.00 0.00 70.33 70.04 6fd1 n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 6fd1 s GLU 83 N -0.02 1.30 0.42 -0.78 2.02 -1.26 -4.75 118.70 115.64 6fd1 s GLU 83 Ca 0.00 -0.71 -0.24 0.00 0.02 0.00 0.00 54.97 54.04 6fd1 s GLU 83 Cb 0.00 -1.31 -0.10 0.00 0.10 0.00 0.00 34.13 32.82 6fd1 s GLU 83 CO 0.00 0.35 1.08 1.17 0.02 0.00 0.00 175.26 177.87 6fd1 n LYS 84 N 2.35 1.48 -4.29 1.61 4.81 -1.26 -4.99 118.16 117.86 6fd1 n LYS 84 Ca -0.16 0.53 -0.15 0.00 -0.87 0.00 0.00 58.31 57.66 6fd1 n LYS 84 Cb 0.54 -2.13 -0.10 0.00 0.02 0.00 0.00 35.03 33.36 6fd1 n LYS 84 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 6fd1 s LYS 85 N -2.09 1.37 0.36 1.64 -2.85 -1.26 -5.12 119.74 111.79 6fd1 s LYS 85 Ca 0.63 -1.74 -0.27 0.00 -1.00 0.00 0.00 55.97 53.59 6fd1 s LYS 85 Cb -0.54 -0.13 -0.12 0.00 -2.06 0.00 0.00 37.83 34.98 6fd1 s LYS 85 CO 0.57 -0.32 1.20 -0.25 0.10 0.00 0.00 175.35 176.65 6fd1 n ASP 86 N -0.44 2.28 -4.59 0.03 8.00 -1.26 -4.65 116.55 115.92 6fd1 n ASP 86 Ca 0.01 1.16 -0.31 0.00 0.71 0.00 0.00 54.79 56.36 6fd1 n ASP 86 Cb 0.66 -1.44 0.18 0.00 -0.02 0.00 0.00 41.12 40.50 6fd1 n ASP 86 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 6fd1 n PRO 87 N 0.42 -0.81 -1.71 -0.24 -0.02 -1.26 -4.92 135.00 126.47 6fd1 n PRO 87 Ca 0.06 -0.18 -0.38 0.00 -2.02 0.00 0.00 63.50 60.98 6fd1 n PRO 87 Cb 0.36 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 6fd1 n PRO 87 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 6fd1 n LEU 88 N -3.89 5.00 -0.11 2.45 4.77 -0.98 -4.91 117.00 119.33 6fd1 n LEU 88 Ca 0.09 0.93 -0.08 0.00 -0.03 0.00 0.00 56.01 56.92 6fd1 n LEU 88 Cb 0.53 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 6fd1 n LEU 88 CO 0.51 -0.96 0.64 -0.65 -1.33 0.00 0.00 177.39 175.59 6fd1 h PRO 89 N 1.13 -0.25 -1.14 3.23 0.11 -1.91 -2.17 132.00 131.00 6fd1 h PRO 89 Ca -0.50 0.02 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 6fd1 h PRO 89 Cb 1.32 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.21 6fd1 h PRO 89 CO 0.55 -0.17 0.88 -0.25 -0.21 0.00 0.00 178.00 178.80 6fd1 n ASP 90 N -5.42 7.65 -0.34 -2.05 8.00 -1.26 -4.59 116.55 118.55 6fd1 n ASP 90 Ca 0.01 -3.77 0.03 0.00 0.71 0.00 0.00 54.79 51.77 6fd1 n ASP 90 Cb 0.34 -0.99 0.17 0.00 -0.02 0.00 0.00 41.12 40.61 6fd1 n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 6fd1 h ALA 91 N 2.10 1.31 -0.30 2.24 0.00 -1.56 -0.97 119.26 122.09 6fd1 h ALA 91 Ca 0.59 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.44 6fd1 h ALA 91 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 6fd1 h ALA 91 CO 1.55 0.31 -0.05 1.49 0.00 0.00 0.00 179.25 182.55 6fd1 h GLU 92 N 1.03 0.47 -0.34 0.00 4.81 -1.86 -0.61 114.58 118.08 6fd1 h GLU 92 Ca 0.42 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 6fd1 h GLU 92 Cb 0.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 6fd1 h GLU 92 CO -0.19 0.54 0.07 -0.44 -0.73 0.00 0.00 179.01 178.26 6fd1 h ASP 93 N 0.45 0.46 0.26 1.04 3.32 -1.52 -3.11 116.42 117.32 6fd1 h ASP 93 Ca 0.09 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 6fd1 h ASP 93 Cb 0.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.81 6fd1 h ASP 93 CO 0.02 0.48 -1.33 0.79 -1.72 0.00 0.00 179.24 177.48 6fd1 n TRP 94 N -4.34 0.19 -2.06 4.55 7.02 -0.68 -4.79 117.44 117.34 6fd1 n TRP 94 Ca 0.02 0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 56.13 6fd1 n TRP 94 Cb 0.19 -0.42 -0.03 0.00 -2.42 0.00 0.00 31.31 28.64 6fd1 n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 6fd1 s ASP 95 N -4.06 6.30 0.00 -0.99 -1.08 -0.32 -1.92 116.67 114.60 6fd1 s ASP 95 Ca 0.00 1.66 0.00 0.00 -0.52 0.00 0.00 52.55 53.70 6fd1 s ASP 95 Cb 0.14 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 6fd1 s ASP 95 CO 0.85 -1.32 0.00 0.61 0.52 0.00 0.00 175.17 175.83 6fd1 n GLY 96 N 4.77 0.23 3.74 2.66 0.00 -1.26 -5.01 105.19 110.32 6fd1 n GLY 96 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 6fd1 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6fd1 s VAL 97 N -2.00 3.62 0.35 1.61 1.01 -0.81 -5.02 120.40 119.17 6fd1 s VAL 97 Ca 0.00 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.39 6fd1 s VAL 97 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 6fd1 s VAL 97 CO 0.00 0.23 0.54 -0.54 0.00 0.00 0.00 175.10 175.33 6fd1 s LYS 98 N -0.33 3.32 -0.79 2.72 -0.14 -1.26 -4.45 119.74 118.80 6fd1 s LYS 98 Ca 0.52 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.59 6fd1 s LYS 98 Cb -0.32 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 6fd1 s LYS 98 CO 0.37 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 6fd1 n GLY 99 N -1.78 0.26 0.00 -3.33 0.00 -1.26 -4.90 105.19 94.18 6fd1 n GLY 99 Ca -0.03 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.54 6fd1 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 6fd1 n LYS 100 N -2.06 0.31 -0.20 1.61 5.02 -1.26 -2.92 118.16 118.66 6fd1 n LYS 100 Ca -0.10 0.09 0.18 0.00 -2.02 0.00 0.00 58.31 56.46 6fd1 n LYS 100 Cb 0.51 -1.50 0.52 0.00 -0.02 0.00 0.00 35.03 34.54 6fd1 n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 6fd1 h LEU 101 N 0.00 0.37 -2.57 -0.35 5.85 -1.90 0.26 115.31 116.96 6fd1 h LEU 101 Ca 0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 6fd1 h LEU 101 Cb 0.19 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 6fd1 h LEU 101 CO 0.00 0.17 0.08 0.06 -0.34 0.00 0.00 178.44 178.41 6fd1 h GLN 102 N 0.38 0.00 -0.03 1.25 3.07 -1.94 -1.78 115.11 116.06 6fd1 h GLN 102 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 6fd1 h GLN 102 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 6fd1 h GLN 102 CO -0.14 0.00 -0.07 0.72 0.09 0.00 0.00 178.83 179.43 6fd1 n HIS 103 N -3.41 0.00 -1.71 0.06 8.25 0.90 -5.00 115.22 114.31 6fd1 n HIS 103 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 6fd1 n HIS 103 Cb 0.17 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 6fd1 n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 6fd1 n LEU 104 N 1.05 3.88 -4.70 2.41 7.94 -0.67 -4.95 117.00 121.96 6fd1 n LEU 104 Ca 0.14 1.05 -0.35 0.00 -1.11 0.00 0.00 56.01 55.73 6fd1 n LEU 104 Cb 0.56 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 42.88 6fd1 n LEU 104 CO 0.17 0.12 -0.22 -1.61 -1.11 0.00 0.00 177.39 174.74 6fd1 s GLU 105 N 1.50 3.87 0.00 1.96 2.02 -1.26 -5.11 118.70 121.68 6fd1 s GLU 105 Ca 0.77 -0.28 0.32 0.00 0.02 0.00 0.00 54.97 55.80 6fd1 s GLU 105 Cb -0.53 -3.23 1.82 0.00 0.10 0.00 0.00 34.13 32.29 6fd1 s GLU 105 CO 0.34 0.40 2.18 -2.13 0.02 0.00 0.00 175.26 176.07