#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7fd1 s PHE 2 N 0.00 3.35 -0.02 0.00 0.40 -1.26 -0.85 117.98 119.61 7fd1 s PHE 2 Ca 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 7fd1 s PHE 2 Cb 0.00 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.63 7fd1 s PHE 2 CO 0.00 0.07 0.01 0.08 0.70 0.00 0.00 175.22 176.08 7fd1 s VAL 3 N -2.26 0.04 -0.08 -0.44 1.01 0.35 -4.71 120.40 114.31 7fd1 s VAL 3 Ca 0.41 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 7fd1 s VAL 3 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 7fd1 s VAL 3 CO 0.34 0.09 0.63 -0.69 0.00 0.00 0.00 175.10 175.47 7fd1 s VAL 4 N 0.80 5.09 0.11 2.92 1.01 -1.26 -1.24 120.40 127.84 7fd1 s VAL 4 Ca -0.07 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.20 7fd1 s VAL 4 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.31 7fd1 s VAL 4 CO -0.02 0.28 0.02 0.35 0.00 0.00 0.00 175.10 175.73 7fd1 n THR 5 N 3.74 0.00 -0.33 3.92 -2.24 0.42 -4.87 114.28 114.92 7fd1 n THR 5 Ca -0.03 -0.52 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 7fd1 n THR 5 Cb 0.51 -0.01 0.34 0.00 -2.10 0.00 0.00 70.33 69.07 7fd1 n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 7fd1 h ASP 6 N 0.24 0.54 0.70 3.42 3.58 -1.94 -2.53 116.42 120.43 7fd1 h ASP 6 Ca -0.09 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.50 7fd1 h ASP 6 Cb 0.28 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.40 7fd1 h ASP 6 CO 0.15 0.08 0.00 -3.20 -2.88 0.00 0.00 179.24 173.39 7fd1 n ASN 7 N -4.94 0.37 -0.02 2.28 5.15 -1.26 -1.77 115.26 115.07 7fd1 n ASN 7 Ca 0.24 0.58 -0.03 0.00 -0.60 0.00 0.00 54.58 54.78 7fd1 n ASN 7 Cb 0.68 -0.67 0.21 0.00 -0.53 0.00 0.00 39.78 39.48 7fd1 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 7fd1 n ILE 9 N -4.19 0.34 -1.04 0.00 5.41 -0.73 -0.70 119.36 118.47 7fd1 n ILE 9 Ca 0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 62.75 63.66 7fd1 n ILE 9 Cb 0.34 -1.77 -0.01 0.00 -0.71 0.00 0.00 39.64 37.49 7fd1 n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 7fd1 n LYS 10 N 3.15 -1.30 0.01 0.38 5.02 -0.64 -4.79 118.16 119.98 7fd1 n LYS 10 Ca 0.14 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.82 7fd1 n LYS 10 Cb 0.33 -4.41 -0.00 0.00 -0.02 0.00 0.00 35.03 30.93 7fd1 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 7fd1 n LYS 12 N -2.99 -1.14 -0.33 0.00 4.81 0.13 -1.90 118.16 116.73 7fd1 n LYS 12 Ca -0.01 0.31 -0.03 0.00 -0.87 0.00 0.00 58.31 57.70 7fd1 n LYS 12 Cb 0.05 -3.63 0.09 0.00 0.02 0.00 0.00 35.03 31.56 7fd1 n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 7fd1 h TYR 13 N -2.13 1.12 -0.01 5.64 0.05 -1.90 -3.34 116.97 116.39 7fd1 h TYR 13 Ca -0.68 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.12 7fd1 h TYR 13 Cb 1.38 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 7fd1 h TYR 13 CO 0.37 0.71 -0.00 0.25 -1.05 0.00 0.00 178.16 178.44 7fd1 n THR 14 N -4.46 0.00 0.06 -2.88 -2.24 -1.26 -4.04 114.28 99.46 7fd1 n THR 14 Ca 0.10 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 7fd1 n THR 14 Cb 0.01 -0.21 0.62 0.00 -2.10 0.00 0.00 70.33 68.65 7fd1 n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 7fd1 h ASP 15 N 0.00 0.11 -0.70 3.42 5.19 -1.89 -2.56 116.42 120.00 7fd1 h ASP 15 Ca -0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 7fd1 h ASP 15 Cb 0.18 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 7fd1 h ASP 15 CO 0.01 0.07 0.37 0.00 -3.12 0.00 0.00 179.24 176.57 7fd1 h VAL 17 N 1.00 0.91 0.00 0.00 -1.51 -1.82 -3.01 116.25 111.82 7fd1 h VAL 17 Ca 0.25 -0.47 -0.10 0.00 -1.23 0.00 0.00 66.70 65.15 7fd1 h VAL 17 Cb 0.05 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 7fd1 h VAL 17 CO -0.04 0.13 -0.48 -0.33 -1.23 0.00 0.00 177.57 175.62 7fd1 h GLU 18 N 0.00 0.00 -0.01 5.19 4.39 -1.68 -2.75 114.58 119.72 7fd1 h GLU 18 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 7fd1 h GLU 18 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 7fd1 h GLU 18 CO 0.02 0.48 -0.38 1.33 -1.16 0.00 0.00 179.01 179.29 7fd1 n VAL 19 N -3.78 0.00 -2.38 3.13 0.24 -1.14 -4.90 118.33 109.50 7fd1 n VAL 19 Ca -0.01 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 61.68 7fd1 n VAL 19 Cb 0.53 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 7fd1 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7fd1 h PRO 21 N 9.31 0.00 -0.25 0.00 0.13 -1.90 -3.17 132.00 136.13 7fd1 h PRO 21 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 7fd1 h PRO 21 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 7fd1 h PRO 21 CO 1.02 0.02 0.00 1.33 -0.23 0.00 0.00 178.00 180.15 7fd1 n VAL 22 N -3.13 1.08 -3.80 1.56 0.24 -1.26 -5.02 118.33 108.01 7fd1 n VAL 22 Ca 0.01 -1.07 -0.27 0.00 -2.04 0.00 0.00 64.34 60.97 7fd1 n VAL 22 Cb 0.33 0.45 0.01 0.00 -1.47 0.00 0.00 33.84 33.16 7fd1 n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 7fd1 n ASP 23 N 0.17 -2.32 -1.46 -1.34 8.00 -1.20 -4.90 116.55 113.50 7fd1 n ASP 23 Ca 0.09 -0.97 -0.06 0.00 0.71 0.00 0.00 54.79 54.56 7fd1 n ASP 23 Cb 0.41 -3.39 0.22 0.00 -0.02 0.00 0.00 41.12 38.34 7fd1 n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7fd1 s PHE 25 N -3.14 3.62 0.01 0.00 0.08 -1.26 -1.21 117.98 116.07 7fd1 s PHE 25 Ca 0.48 0.63 0.06 0.00 0.12 0.00 0.00 56.93 58.23 7fd1 s PHE 25 Cb 0.41 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 7fd1 s PHE 25 CO 0.06 0.70 -0.19 0.71 -0.10 0.00 0.00 175.22 176.40 7fd1 s TYR 26 N -0.98 1.69 -0.13 0.36 1.51 -0.00 -1.12 117.35 118.68 7fd1 s TYR 26 Ca 0.17 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 7fd1 s TYR 26 Cb -0.13 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 7fd1 s TYR 26 CO 0.06 0.01 -0.07 -2.00 -1.11 0.00 0.00 175.55 172.44 7fd1 s GLU 27 N -0.69 3.40 0.41 -0.62 2.12 0.11 -0.78 118.70 122.65 7fd1 s GLU 27 Ca 0.07 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 54.90 7fd1 s GLU 27 Cb -0.08 -2.77 -0.06 0.00 0.26 0.00 0.00 34.13 31.49 7fd1 s GLU 27 CO 0.00 0.32 0.15 0.20 -0.54 0.00 0.00 175.26 175.39 7fd1 s GLY 28 N 0.11 2.34 0.32 -1.50 0.00 0.16 -4.00 107.32 104.75 7fd1 s GLY 28 Ca -0.03 -2.13 0.06 0.00 0.00 0.00 0.00 44.72 42.63 7fd1 s GLY 28 CO 0.03 -1.93 1.83 -2.55 0.00 0.00 0.00 173.10 170.48 7fd1 h PRO 29 N 1.49 0.77 0.00 2.90 0.11 -1.87 -3.26 132.00 132.15 7fd1 h PRO 29 Ca -0.43 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 7fd1 h PRO 29 Cb 1.25 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 7fd1 h PRO 29 CO 0.71 0.51 -0.51 0.27 -0.21 0.00 0.00 178.00 178.77 7fd1 n ASN 30 N -4.63 0.80 -3.47 -2.05 6.94 -1.26 -5.04 115.26 106.54 7fd1 n ASN 30 Ca 0.20 -2.36 -0.15 0.00 -0.02 0.00 0.00 54.58 52.25 7fd1 n ASN 30 Cb 0.48 -0.29 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 7fd1 n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 7fd1 s PHE 31 N -0.82 -0.58 0.17 -2.53 5.36 -1.23 -1.63 117.98 116.71 7fd1 s PHE 31 Ca 0.16 0.70 0.10 0.00 -0.96 0.00 0.00 56.93 56.93 7fd1 s PHE 31 Cb 0.16 0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 43.29 7fd1 s PHE 31 CO -0.03 -0.71 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.30 7fd1 s LEU 32 N -1.97 2.57 0.22 6.12 1.02 -1.26 -0.67 118.68 124.71 7fd1 s LEU 32 Ca -0.04 -0.73 0.03 0.00 0.02 0.00 0.00 54.13 53.41 7fd1 s LEU 32 Cb -0.01 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.81 7fd1 s LEU 32 CO -0.02 0.14 -0.01 0.68 0.02 0.00 0.00 176.35 177.16 7fd1 s VAL 33 N -1.48 1.00 -0.16 -1.59 -7.23 0.04 -4.74 120.40 106.24 7fd1 s VAL 33 Ca 0.20 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 7fd1 s VAL 33 Cb -0.09 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 7fd1 s VAL 33 CO 0.10 -0.36 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.83 7fd1 s ILE 34 N -3.44 3.51 -0.30 -0.62 1.01 -1.26 -0.82 121.20 119.27 7fd1 s ILE 34 Ca 0.27 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 7fd1 s ILE 34 Cb 0.05 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 40.00 7fd1 s ILE 34 CO 0.08 0.49 1.28 -2.28 0.00 0.00 0.00 174.94 174.50 7fd1 s HIS 35 N 0.59 2.73 0.28 3.97 5.65 -0.35 -4.42 115.29 123.75 7fd1 s HIS 35 Ca -0.04 0.90 0.14 0.00 0.25 0.00 0.00 55.06 56.31 7fd1 s HIS 35 Cb -0.15 -3.88 0.61 0.00 -1.18 0.00 0.00 32.58 27.98 7fd1 s HIS 35 CO 0.03 -1.62 1.73 -1.00 -0.65 0.00 0.00 174.74 173.23 7fd1 h PRO 36 N 9.15 0.00 0.00 2.88 0.13 -1.88 -1.78 132.00 140.49 7fd1 h PRO 36 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 7fd1 h PRO 36 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 7fd1 h PRO 36 CO 1.03 0.45 -0.34 -0.44 -0.23 0.00 0.00 178.00 178.47 7fd1 h ASP 37 N 0.00 0.00 0.46 1.44 3.32 -1.99 -3.32 116.42 116.33 7fd1 h ASP 37 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 7fd1 h ASP 37 Cb 0.87 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 7fd1 h ASP 37 CO 0.06 0.34 -1.68 -0.33 -1.72 0.00 0.00 179.24 175.91 7fd1 h GLU 38 N 0.00 0.08 -6.82 3.56 5.08 -1.82 -3.47 114.58 111.19 7fd1 h GLU 38 Ca -0.00 -0.13 -0.53 0.00 -1.00 0.00 0.00 59.36 57.69 7fd1 h GLU 38 Cb 0.81 0.05 0.08 0.00 0.50 0.00 0.00 28.75 30.18 7fd1 h GLU 38 CO 0.04 0.74 0.82 0.00 -1.00 0.00 0.00 179.01 179.61 7fd1 n ILE 40 N 1.78 1.59 -2.66 0.00 -5.35 -1.26 -4.74 119.36 108.73 7fd1 n ILE 40 Ca 0.06 -1.29 -0.21 0.00 -0.27 0.00 0.00 62.75 61.05 7fd1 n ILE 40 Cb 0.39 0.19 0.01 0.00 -1.74 0.00 0.00 39.64 38.49 7fd1 n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 7fd1 n ASP 41 N 0.51 -5.81 0.15 7.28 8.00 -1.26 -4.86 116.55 120.56 7fd1 n ASP 41 Ca 0.19 -0.14 0.13 0.00 0.71 0.00 0.00 54.79 55.68 7fd1 n ASP 41 Cb 0.70 -4.74 0.51 0.00 -0.02 0.00 0.00 41.12 37.57 7fd1 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7fd1 n ALA 43 N -1.84 0.00 0.21 0.00 0.00 -1.26 -4.88 120.51 112.74 7fd1 n ALA 43 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 7fd1 n ALA 43 Cb 0.27 -0.48 0.45 0.00 0.00 0.00 0.00 19.45 19.70 7fd1 n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 7fd1 h LEU 44 N 0.00 0.00 -0.75 0.00 3.38 -1.91 -2.68 115.31 113.35 7fd1 h LEU 44 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 7fd1 h LEU 44 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 7fd1 h LEU 44 CO 0.00 0.30 -0.18 0.00 0.09 0.00 0.00 178.44 178.65 7fd1 h GLU 46 N 0.00 -0.22 0.00 0.00 4.22 -1.81 -1.67 114.58 115.10 7fd1 h GLU 46 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 7fd1 h GLU 46 Cb 0.87 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.17 7fd1 h GLU 46 CO 0.02 -0.15 0.00 -0.35 -2.18 0.00 0.00 179.01 176.36 7fd1 n PRO 47 N -5.19 0.18 0.18 0.92 -0.04 -1.26 -3.23 135.00 126.55 7fd1 n PRO 47 Ca -0.09 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 7fd1 n PRO 47 Cb 0.12 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.18 7fd1 n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 7fd1 h GLU 48 N 0.00 0.00 -6.48 0.54 4.39 -1.46 -3.45 114.58 108.12 7fd1 h GLU 48 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 7fd1 h GLU 48 Cb 0.34 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 7fd1 h GLU 48 CO 0.00 0.01 0.91 0.00 -1.16 0.00 0.00 179.01 178.77 7fd1 h PRO 50 N 8.86 0.00 -0.00 0.00 0.11 -1.92 0.05 132.00 139.11 7fd1 h PRO 50 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 7fd1 h PRO 50 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 7fd1 h PRO 50 CO 1.07 0.07 -0.06 0.00 -0.21 0.00 0.00 178.00 178.88 7fd1 n ALA 51 N -2.21 2.64 -3.47 -0.75 0.00 -1.26 -4.91 120.51 110.55 7fd1 n ALA 51 Ca -0.02 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 7fd1 n ALA 51 Cb 0.21 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.26 7fd1 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 7fd1 n GLN 52 N -1.11 -4.49 0.02 0.00 6.02 0.00 -4.83 117.38 113.00 7fd1 n GLN 52 Ca 0.15 0.62 0.11 0.00 -0.01 0.00 0.00 57.00 57.87 7fd1 n GLN 52 Cb 0.25 -5.43 0.12 0.00 1.02 0.00 0.00 30.24 26.20 7fd1 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 7fd1 n ALA 53 N -3.93 3.57 -2.64 -1.58 0.00 -1.26 -4.89 120.51 109.78 7fd1 n ALA 53 Ca -0.02 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 7fd1 n ALA 53 Cb 0.55 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 7fd1 n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 7fd1 s ILE 54 N -3.09 5.19 0.06 0.00 1.01 -1.26 -0.43 121.20 122.68 7fd1 s ILE 54 Ca 0.08 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.42 7fd1 s ILE 54 Cb 0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 7fd1 s ILE 54 CO 0.76 0.52 -0.09 -0.36 0.00 0.00 0.00 174.94 175.77 7fd1 s PHE 55 N -0.55 0.81 0.41 3.97 0.40 -0.37 -4.86 117.98 117.79 7fd1 s PHE 55 Ca 0.21 -0.57 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 7fd1 s PHE 55 Cb -0.15 -0.47 -0.10 0.00 0.51 0.00 0.00 43.02 42.81 7fd1 s PHE 55 CO 0.09 -0.07 1.41 0.45 0.70 0.00 0.00 175.22 177.80 7fd1 n SER 56 N 1.13 3.28 -0.32 1.36 2.88 -1.26 -0.49 113.62 120.19 7fd1 n SER 56 Ca -0.20 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 7fd1 n SER 56 Cb 0.56 -1.58 0.34 0.00 -0.75 0.00 0.00 64.21 62.78 7fd1 n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 7fd1 h GLU 57 N 2.49 0.48 -0.02 -1.46 4.81 -1.31 0.66 114.58 120.24 7fd1 h GLU 57 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 7fd1 h GLU 57 Cb 1.27 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.54 7fd1 h GLU 57 CO 0.62 0.32 0.00 -0.40 -0.73 0.00 0.00 179.01 178.82 7fd1 n ASP 58 N -4.96 0.17 0.00 1.04 5.68 -1.26 -2.61 116.55 114.61 7fd1 n ASP 58 Ca 0.24 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 7fd1 n ASP 58 Cb 0.69 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 7fd1 n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 7fd1 n GLU 59 N -0.63 0.28 -1.74 0.11 1.02 0.19 -5.04 120.64 114.82 7fd1 n GLU 59 Ca 0.12 -0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 56.12 7fd1 n GLU 59 Cb 0.08 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 7fd1 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 7fd1 s VAL 60 N -0.28 2.34 0.64 2.62 1.01 -1.00 -4.86 120.40 120.88 7fd1 s VAL 60 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 7fd1 s VAL 60 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 7fd1 s VAL 60 CO 0.00 0.00 0.91 -2.65 0.00 0.00 0.00 175.10 173.36 7fd1 n PRO 61 N 4.85 0.73 -0.30 2.72 -0.02 -1.26 -4.80 135.00 136.92 7fd1 n PRO 61 Ca 0.17 0.29 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 7fd1 n PRO 61 Cb 0.37 -2.13 0.22 0.00 -0.02 0.00 0.00 33.50 31.94 7fd1 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 7fd1 h GLU 62 N 0.21 0.67 0.00 -0.52 4.22 -2.02 -0.71 114.58 116.43 7fd1 h GLU 62 Ca -0.48 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 7fd1 h GLU 62 Cb 1.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.46 7fd1 h GLU 62 CO 0.49 0.44 0.00 -0.40 -2.18 0.00 0.00 179.01 177.36 7fd1 n ASP 63 N -4.82 0.00 -0.21 1.04 5.75 -1.26 -3.05 116.55 114.00 7fd1 n ASP 63 Ca 0.17 -1.39 0.05 0.00 -0.01 0.00 0.00 54.79 53.61 7fd1 n ASP 63 Cb 0.40 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.56 7fd1 n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 7fd1 n MET 64 N -0.77 0.90 0.25 0.11 2.81 -0.29 -4.85 117.12 115.29 7fd1 n MET 64 Ca 0.12 -1.77 0.10 0.00 -1.81 0.00 0.00 57.70 54.35 7fd1 n MET 64 Cb 0.06 -1.03 0.71 0.00 -0.71 0.00 0.00 33.22 32.25 7fd1 n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 7fd1 h GLN 65 N 0.00 0.00 0.00 0.03 1.08 -1.44 -0.56 115.11 114.23 7fd1 h GLN 65 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 7fd1 h GLN 65 Cb 1.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 7fd1 h GLN 65 CO 0.00 0.00 -0.04 1.05 -0.95 0.00 0.00 178.83 178.89 7fd1 h GLU 66 N 0.00 0.00 0.00 1.46 9.09 -1.88 -1.64 114.58 121.61 7fd1 h GLU 66 Ca 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.40 7fd1 h GLU 66 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 7fd1 h GLU 66 CO -0.00 0.04 -0.10 0.74 0.05 0.00 0.00 179.01 179.74 7fd1 h PHE 67 N 0.00 0.00 0.22 2.06 0.04 -1.44 -2.00 116.94 115.82 7fd1 h PHE 67 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 7fd1 h PHE 67 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 7fd1 h PHE 67 CO 0.00 0.10 -0.11 0.82 -0.60 0.00 0.00 178.31 178.52 7fd1 h ILE 68 N 0.00 0.84 -0.11 -0.55 2.04 -1.46 0.66 117.51 118.93 7fd1 h ILE 68 Ca -0.00 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 7fd1 h ILE 68 Cb 0.24 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 7fd1 h ILE 68 CO 0.01 0.07 -0.53 -0.61 0.00 0.00 0.00 178.15 177.09 7fd1 h GLN 69 N -0.45 0.30 -0.39 2.37 4.15 -1.70 -2.66 115.11 116.72 7fd1 h GLN 69 Ca -0.03 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.14 7fd1 h GLN 69 Cb 0.34 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 7fd1 h GLN 69 CO 0.05 0.76 -0.02 1.25 -1.93 0.00 0.00 178.83 178.94 7fd1 h LEU 70 N 0.24 0.61 -0.28 -2.39 5.85 -1.23 0.22 115.31 118.32 7fd1 h LEU 70 Ca 0.01 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 7fd1 h LEU 70 Cb 1.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 7fd1 h LEU 70 CO 0.09 0.69 0.12 0.78 -0.34 0.00 0.00 178.44 179.78 7fd1 h ASN 71 N 0.60 0.38 -0.82 1.25 -0.26 -0.56 -0.40 115.58 115.76 7fd1 h ASN 71 Ca 0.12 -0.14 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 7fd1 h ASN 71 Cb 0.41 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.53 7fd1 h ASN 71 CO 0.02 0.42 0.54 0.00 -1.06 0.00 0.00 177.43 177.35 7fd1 h ALA 72 N 0.97 1.43 -0.03 -0.83 0.00 -1.01 -0.96 119.26 118.84 7fd1 h ALA 72 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 7fd1 h ALA 72 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.62 7fd1 h ALA 72 CO -0.01 0.52 -0.06 0.93 0.00 0.00 0.00 179.25 180.63 7fd1 h GLU 73 N 1.09 0.09 0.00 0.00 4.39 -0.86 -3.29 114.58 116.01 7fd1 h GLU 73 Ca 0.30 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 7fd1 h GLU 73 Cb -0.10 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 7fd1 h GLU 73 CO -0.07 0.65 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.16 7fd1 h LEU 74 N -0.45 0.00 -1.89 1.33 3.38 -0.92 -2.58 115.31 114.18 7fd1 h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 7fd1 h LEU 74 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 7fd1 h LEU 74 CO 0.01 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.74 7fd1 h ALA 75 N 1.80 1.00 0.00 1.53 0.00 -1.24 -0.63 119.26 121.72 7fd1 h ALA 75 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 7fd1 h ALA 75 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 7fd1 h ALA 75 CO 0.03 0.00 -0.31 0.93 0.00 0.00 0.00 179.25 179.90 7fd1 h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.55 -3.39 114.58 114.04 7fd1 h GLU 76 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 7fd1 h GLU 76 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 7fd1 h GLU 76 CO 0.00 0.01 -0.90 1.33 -1.16 0.00 0.00 179.01 178.29 7fd1 n VAL 77 N -2.98 0.00 -3.51 3.13 0.24 -0.52 -5.04 118.33 109.65 7fd1 n VAL 77 Ca 0.03 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 62.00 7fd1 n VAL 77 Cb 0.54 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.45 7fd1 n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 7fd1 s TRP 78 N -1.94 3.46 0.43 6.34 0.51 -0.36 -5.08 118.94 122.30 7fd1 s TRP 78 Ca -0.00 0.24 -0.21 0.00 -2.12 0.00 0.00 56.10 54.00 7fd1 s TRP 78 Cb 0.01 -1.84 -0.11 0.00 -0.81 0.00 0.00 33.47 30.72 7fd1 s TRP 78 CO 0.05 0.17 0.95 -1.25 -0.51 0.00 0.00 176.95 176.37 7fd1 s PRO 79 N -4.24 4.23 0.38 4.98 0.04 -1.26 -4.67 135.00 134.47 7fd1 s PRO 79 Ca 0.39 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 7fd1 s PRO 79 Cb -0.09 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 7fd1 s PRO 79 CO 0.34 -0.03 1.31 1.21 0.04 0.00 0.00 177.00 179.88 7fd1 s ASN 80 N -2.17 6.46 -0.10 6.66 3.04 -1.26 0.10 114.94 127.67 7fd1 s ASN 80 Ca 0.62 2.69 0.02 0.00 0.04 0.00 0.00 52.86 56.23 7fd1 s ASN 80 Cb -0.09 -2.64 0.01 0.00 -1.54 0.00 0.00 41.25 36.99 7fd1 s ASN 80 CO 0.13 -0.75 -0.16 -0.51 -3.04 0.00 0.00 177.10 172.77 7fd1 s ILE 81 N -1.22 1.53 0.00 -5.21 2.07 -0.28 -4.77 121.20 113.32 7fd1 s ILE 81 Ca 0.54 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 7fd1 s ILE 81 Cb -0.39 -1.38 0.00 0.00 0.13 0.00 0.00 42.46 40.82 7fd1 s ILE 81 CO 0.51 0.44 0.33 0.35 -1.91 0.00 0.00 174.94 174.66 7fd1 n THR 82 N 4.00 0.00 -4.52 4.00 -2.24 -1.26 -4.41 114.28 109.85 7fd1 n THR 82 Ca -0.20 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.00 7fd1 n THR 82 Cb 0.52 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.84 7fd1 n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 7fd1 s GLU 83 N -0.07 1.17 0.58 -0.78 2.02 -1.26 -4.73 118.70 115.63 7fd1 s GLU 83 Ca 0.00 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.41 7fd1 s GLU 83 Cb 0.00 -1.07 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 7fd1 s GLU 83 CO 0.00 0.16 0.97 1.63 0.02 0.00 0.00 175.26 178.03 7fd1 n LYS 84 N 3.21 0.95 -4.20 1.61 5.02 -1.26 -5.00 118.16 118.48 7fd1 n LYS 84 Ca -0.18 0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 7fd1 n LYS 84 Cb 0.54 -2.15 -0.09 0.00 -0.02 0.00 0.00 35.03 33.30 7fd1 n LYS 84 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 7fd1 s LYS 85 N -2.67 1.34 0.40 1.97 -2.85 -1.26 -5.11 119.74 111.56 7fd1 s LYS 85 Ca 0.74 -1.69 -0.27 0.00 -1.00 0.00 0.00 55.97 53.75 7fd1 s LYS 85 Cb -0.43 0.29 -0.10 0.00 -2.06 0.00 0.00 37.83 35.53 7fd1 s LYS 85 CO 0.48 -0.46 1.46 -0.25 0.10 0.00 0.00 175.35 176.68 7fd1 n ASP 86 N -0.56 3.56 -4.65 0.03 8.00 -1.26 -4.66 116.55 117.01 7fd1 n ASP 86 Ca 0.03 1.19 -0.31 0.00 0.71 0.00 0.00 54.79 56.41 7fd1 n ASP 86 Cb 0.65 -1.61 0.18 0.00 -0.02 0.00 0.00 41.12 40.32 7fd1 n ASP 86 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 7fd1 s PRO 87 N -2.21 0.81 0.54 -0.24 0.02 -1.26 -4.90 135.00 127.76 7fd1 s PRO 87 Ca 0.56 1.49 -0.22 0.00 0.02 0.00 0.00 61.00 62.85 7fd1 s PRO 87 Cb -0.47 -1.71 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 7fd1 s PRO 87 CO 0.62 -2.75 1.28 1.28 -0.33 0.00 0.00 177.00 177.10 7fd1 n LEU 88 N -4.31 5.03 -0.33 -5.54 4.77 -0.80 -4.87 117.00 110.95 7fd1 n LEU 88 Ca 0.11 0.97 0.17 0.00 -0.03 0.00 0.00 56.01 57.23 7fd1 n LEU 88 Cb 0.52 -1.54 0.37 0.00 -2.33 0.00 0.00 43.42 40.45 7fd1 n LEU 88 CO 0.50 -0.80 1.11 1.55 -1.33 0.00 0.00 177.39 178.42 7fd1 h PRO 89 N 1.37 0.46 -1.15 3.23 0.13 -1.91 -1.96 132.00 132.18 7fd1 h PRO 89 Ca -0.50 -0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 64.00 7fd1 h PRO 89 Cb 1.31 -0.10 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 7fd1 h PRO 89 CO 0.56 0.31 -0.32 -0.25 -0.23 0.00 0.00 178.00 178.07 7fd1 n ASP 90 N -4.97 5.59 -0.29 1.44 8.00 -1.26 -4.74 116.55 120.32 7fd1 n ASP 90 Ca 0.26 -3.76 0.01 0.00 0.71 0.00 0.00 54.79 52.01 7fd1 n ASP 90 Cb 0.75 -0.56 0.14 0.00 -0.02 0.00 0.00 41.12 41.43 7fd1 n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7fd1 h ALA 91 N 2.36 1.11 -0.73 2.24 0.00 -1.52 -0.99 119.26 121.73 7fd1 h ALA 91 Ca 0.41 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.34 7fd1 h ALA 91 Cb 1.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 7fd1 h ALA 91 CO 0.99 0.18 0.49 1.49 0.00 0.00 0.00 179.25 182.40 7fd1 h GLU 92 N 0.86 0.94 -0.14 0.00 4.81 -1.85 0.73 114.58 119.92 7fd1 h GLU 92 Ca 0.36 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 7fd1 h GLU 92 Cb 0.23 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 7fd1 h GLU 92 CO -0.19 0.62 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.15 7fd1 h ASP 93 N 0.97 0.20 0.09 1.04 3.32 -1.55 -3.12 116.42 117.37 7fd1 h ASP 93 Ca 0.28 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 7fd1 h ASP 93 Cb -0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.43 7fd1 h ASP 93 CO -0.07 0.34 -1.06 0.79 -1.72 0.00 0.00 179.24 177.53 7fd1 n TRP 94 N -4.30 0.02 -2.10 4.55 7.02 -0.41 -4.77 117.44 117.45 7fd1 n TRP 94 Ca -0.01 0.01 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 7fd1 n TRP 94 Cb 0.25 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 29.00 7fd1 n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 7fd1 s ASP 95 N -3.25 6.04 0.00 -0.99 -1.08 0.12 -2.08 116.67 115.43 7fd1 s ASP 95 Ca 0.06 1.19 0.00 0.00 -0.52 0.00 0.00 52.55 53.28 7fd1 s ASP 95 Cb 0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 7fd1 s ASP 95 CO 0.85 -1.61 0.00 0.61 0.52 0.00 0.00 175.17 175.54 7fd1 n GLY 96 N 5.30 0.49 3.74 2.66 0.00 -1.26 -5.00 105.19 111.11 7fd1 n GLY 96 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 7fd1 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7fd1 s VAL 97 N -2.00 4.04 0.34 1.61 1.01 -0.88 -5.02 120.40 119.49 7fd1 s VAL 97 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.79 7fd1 s VAL 97 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 7fd1 s VAL 97 CO 0.00 0.33 0.54 -0.54 0.00 0.00 0.00 175.10 175.43 7fd1 s LYS 98 N -0.48 3.49 -0.50 2.72 -0.14 -1.26 -4.48 119.74 119.08 7fd1 s LYS 98 Ca 0.47 -0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.74 7fd1 s LYS 98 Cb -0.27 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.21 7fd1 s LYS 98 CO 0.34 0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.50 7fd1 n GLY 99 N -1.74 0.49 0.00 -3.33 0.00 -1.26 -4.89 105.19 94.46 7fd1 n GLY 99 Ca -0.05 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.33 7fd1 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 7fd1 n LYS 100 N -2.22 0.22 -0.17 1.61 5.02 -1.26 -2.88 118.16 118.48 7fd1 n LYS 100 Ca -0.06 0.09 0.23 0.00 -2.02 0.00 0.00 58.31 56.56 7fd1 n LYS 100 Cb 0.35 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.49 7fd1 n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 7fd1 h LEU 101 N 0.00 0.16 -2.57 -0.35 5.85 -1.90 0.25 115.31 116.75 7fd1 h LEU 101 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 7fd1 h LEU 101 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 7fd1 h LEU 101 CO 0.00 0.07 0.00 0.06 -0.34 0.00 0.00 178.44 178.23 7fd1 h GLN 102 N 0.16 0.00 -0.02 1.25 3.07 -1.94 -1.33 115.11 116.31 7fd1 h GLN 102 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 7fd1 h GLN 102 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.94 7fd1 h GLN 102 CO -0.07 0.00 -0.16 0.72 0.09 0.00 0.00 178.83 179.40 7fd1 n HIS 103 N -2.92 0.00 -1.72 0.06 8.25 0.88 -4.99 115.22 114.77 7fd1 n HIS 103 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 7fd1 n HIS 103 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 7fd1 n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 7fd1 n LEU 104 N 0.79 4.02 -4.65 2.41 7.94 -0.50 -4.96 117.00 122.04 7fd1 n LEU 104 Ca 0.11 1.10 -0.35 0.00 -1.11 0.00 0.00 56.01 55.77 7fd1 n LEU 104 Cb 0.52 -1.56 -0.10 0.00 0.53 0.00 0.00 43.42 42.81 7fd1 n LEU 104 CO 0.19 0.10 -0.28 -1.61 -1.11 0.00 0.00 177.39 174.67 7fd1 s GLU 105 N 0.43 3.51 0.00 1.96 2.02 -1.26 -5.11 118.70 120.26 7fd1 s GLU 105 Ca 0.71 -0.38 0.30 0.00 0.02 0.00 0.00 54.97 55.62 7fd1 s GLU 105 Cb -0.52 -3.00 1.40 0.00 0.10 0.00 0.00 34.13 32.10 7fd1 s GLU 105 CO 0.40 0.47 1.94 -2.13 0.02 0.00 0.00 175.26 175.96