#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frj s PHE 2 N 0.00 3.49 -0.03 0.00 0.40 -1.26 -1.13 117.98 119.45 1frj s PHE 2 Ca 0.00 0.59 0.03 0.00 -0.60 0.00 0.00 56.93 56.95 1frj s PHE 2 Cb 0.00 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1frj s PHE 2 CO 0.00 0.14 -0.10 0.08 0.70 0.00 0.00 175.22 176.04 1frj s VAL 3 N -2.17 0.86 -0.11 -0.44 1.01 0.15 -4.68 120.40 115.01 1frj s VAL 3 Ca 0.43 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1frj s VAL 3 Cb -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1frj s VAL 3 CO 0.32 0.26 0.47 -0.69 0.00 0.00 0.00 175.10 175.46 1frj s VAL 4 N 0.12 5.18 0.00 2.92 1.01 -1.26 -2.06 120.40 126.31 1frj s VAL 4 Ca -0.02 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1frj s VAL 4 Cb -0.08 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1frj s VAL 4 CO 0.01 0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.79 1frj n THR 5 N 3.58 0.00 -0.33 3.92 -2.24 -0.02 -4.88 114.28 114.32 1frj n THR 5 Ca -0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 1frj n THR 5 Cb 0.52 -0.51 0.35 0.00 -2.10 0.00 0.00 70.33 68.58 1frj n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1frj h ASP 6 N 0.00 0.59 0.81 3.42 3.58 -1.95 -2.54 116.42 120.33 1frj h ASP 6 Ca 0.00 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1frj h ASP 6 Cb 0.00 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1frj h ASP 6 CO 0.00 0.10 0.00 -3.20 -2.88 0.00 0.00 179.24 173.26 1frj n ASN 7 N -4.91 0.54 0.10 2.28 5.15 -1.26 -1.49 115.26 115.67 1frj n ASN 7 Ca 0.25 0.62 0.00 0.00 -0.60 0.00 0.00 54.58 54.84 1frj n ASN 7 Cb 0.69 -0.74 0.30 0.00 -0.53 0.00 0.00 39.78 39.50 1frj n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1frj s ILE 9 N -4.42 2.28 -0.07 0.00 1.01 -0.56 -1.11 121.20 118.33 1frj s ILE 9 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1frj s ILE 9 Cb 0.14 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1frj s ILE 9 CO 0.75 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.98 1frj n LYS 10 N 4.79 -1.22 -0.01 2.79 5.02 -0.18 -4.79 118.16 124.56 1frj n LYS 10 Ca 0.17 0.34 -0.02 0.00 -2.02 0.00 0.00 58.31 56.78 1frj n LYS 10 Cb 0.37 -4.28 -0.01 0.00 -0.02 0.00 0.00 35.03 31.09 1frj n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frj n LYS 12 N -3.22 -0.79 0.24 0.00 4.81 -0.35 -2.23 118.16 116.61 1frj n LYS 12 Ca -0.03 0.36 0.10 0.00 -0.87 0.00 0.00 58.31 57.87 1frj n LYS 12 Cb 0.12 -2.39 0.58 0.00 0.02 0.00 0.00 35.03 33.36 1frj n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1frj h TYR 13 N -1.64 0.00 -0.32 5.64 0.05 -1.89 -3.31 116.97 115.51 1frj h TYR 13 Ca -0.68 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 57.97 1frj h TYR 13 Cb 1.41 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.09 1frj h TYR 13 CO 0.31 0.20 -0.12 0.25 -1.05 0.00 0.00 178.16 177.75 1frj n THR 14 N -3.73 0.00 0.14 -2.88 -2.24 -1.26 -4.19 114.28 100.13 1frj n THR 14 Ca -0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1frj n THR 14 Cb 0.31 -1.27 0.54 0.00 -2.10 0.00 0.00 70.33 67.80 1frj n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1frj h ASP 15 N 0.00 0.21 -0.38 3.42 3.32 -1.89 -0.92 116.42 120.18 1frj h ASP 15 Ca -0.13 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.01 1frj h ASP 15 Cb 1.08 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1frj h ASP 15 CO 0.19 0.16 0.27 0.00 -1.72 0.00 0.00 179.24 178.15 1frj h VAL 17 N 0.06 0.33 -0.72 0.00 -1.51 -1.55 -3.10 116.25 109.77 1frj h VAL 17 Ca 0.18 -1.14 -0.03 0.00 -1.23 0.00 0.00 66.70 64.48 1frj h VAL 17 Cb 0.64 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 1frj h VAL 17 CO -0.01 0.16 0.34 -0.33 -1.23 0.00 0.00 177.57 176.49 1frj h GLU 18 N 0.00 1.04 0.00 5.19 3.07 -1.47 -3.16 114.58 119.24 1frj h GLU 18 Ca -0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1frj h GLU 18 Cb 0.87 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1frj h GLU 18 CO 0.02 0.82 -0.44 -0.24 -1.40 0.00 0.00 179.01 177.78 1frj h VAL 19 N 1.01 0.00 -2.68 3.13 3.04 -1.67 -3.47 116.25 115.62 1frj h VAL 19 Ca 0.25 -0.76 -0.55 0.00 -1.01 0.00 0.00 66.70 64.63 1frj h VAL 19 Cb 0.13 1.51 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 1frj h VAL 19 CO -0.03 0.00 1.05 0.00 -1.01 0.00 0.00 177.57 177.58 1frj h PRO 21 N 9.30 0.00 -0.16 0.00 0.13 -1.91 -3.28 132.00 136.07 1frj h PRO 21 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1frj h PRO 21 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1frj h PRO 21 CO 0.96 0.56 0.00 1.33 -0.23 0.00 0.00 178.00 180.61 1frj n VAL 22 N -3.26 0.25 -3.66 1.56 0.24 -1.26 -5.01 118.33 107.20 1frj n VAL 22 Ca 0.02 -0.62 -0.28 0.00 -2.04 0.00 0.00 64.34 61.41 1frj n VAL 22 Cb 0.75 1.16 0.04 0.00 -1.47 0.00 0.00 33.84 34.32 1frj n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1frj n ASP 23 N 1.05 -4.54 -1.68 -1.34 8.00 -1.24 -4.91 116.55 111.89 1frj n ASP 23 Ca 0.13 -0.96 -0.16 0.00 0.71 0.00 0.00 54.79 54.51 1frj n ASP 23 Cb 0.47 -3.65 0.16 0.00 -0.02 0.00 0.00 41.12 38.08 1frj n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frj s ILE 25 N -3.64 3.44 0.07 0.00 1.01 -1.26 -0.82 121.20 120.01 1frj s ILE 25 Ca 0.51 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1frj s ILE 25 Cb 0.44 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1frj s ILE 25 CO 0.03 0.59 -0.18 -0.31 0.00 0.00 0.00 174.94 175.06 1frj s TYR 26 N -0.78 1.57 -0.08 3.97 1.51 -0.15 -1.51 117.35 121.87 1frj s TYR 26 Ca 0.12 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1frj s TYR 26 Cb -0.11 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1frj s TYR 26 CO 0.01 0.12 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.42 1frj s GLU 27 N -1.62 2.86 0.40 -0.62 2.12 0.12 -1.15 118.70 120.81 1frj s GLU 27 Ca 0.04 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.72 1frj s GLU 27 Cb -0.09 -2.45 -0.08 0.00 0.26 0.00 0.00 34.13 31.77 1frj s GLU 27 CO 0.03 0.43 0.01 0.20 -0.54 0.00 0.00 175.26 175.39 1frj s GLY 28 N -0.22 2.44 0.28 -1.50 0.00 -0.46 -3.85 107.32 104.02 1frj s GLY 28 Ca 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 44.72 42.44 1frj s GLY 28 CO 0.03 -2.06 1.61 -2.55 0.00 0.00 0.00 173.10 170.13 1frj h PRO 29 N 1.82 0.08 0.00 2.90 0.11 -1.87 -3.29 132.00 131.76 1frj h PRO 29 Ca -0.44 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 1frj h PRO 29 Cb 1.24 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 1frj h PRO 29 CO 0.79 0.05 -0.78 0.27 -0.21 0.00 0.00 178.00 178.13 1frj n ASN 30 N -5.39 0.61 -3.47 -2.05 6.94 -1.26 -5.05 115.26 105.59 1frj n ASN 30 Ca 0.20 -2.06 -0.11 0.00 -0.02 0.00 0.00 54.58 52.59 1frj n ASN 30 Cb 0.65 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.78 1frj n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1frj s PHE 31 N -0.12 -0.48 0.15 -2.53 5.36 -1.24 -1.01 117.98 118.12 1frj s PHE 31 Ca 0.19 0.40 0.05 0.00 -0.96 0.00 0.00 56.93 56.62 1frj s PHE 31 Cb 0.22 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.38 1frj s PHE 31 CO -0.09 -0.69 -0.11 -0.48 -1.46 0.00 0.00 175.22 172.39 1frj s LEU 32 N -2.38 2.52 0.12 6.12 -0.00 -1.26 -1.35 118.68 122.44 1frj s LEU 32 Ca 0.01 -0.99 0.03 0.00 -0.00 0.00 0.00 54.13 53.18 1frj s LEU 32 Cb -0.01 -0.42 -0.04 0.00 -0.00 0.00 0.00 46.19 45.72 1frj s LEU 32 CO -0.08 -0.28 -0.09 0.68 -0.00 0.00 0.00 176.35 176.58 1frj s VAL 33 N -3.13 0.95 -0.18 1.48 -7.23 -0.30 -4.76 120.40 107.23 1frj s VAL 33 Ca 0.17 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1frj s VAL 33 Cb 0.01 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1frj s VAL 33 CO 0.02 -0.77 0.05 -0.63 -0.31 0.00 0.00 175.10 173.46 1frj s ILE 34 N -3.33 4.68 -0.31 -0.62 1.01 -1.26 -0.98 121.20 120.40 1frj s ILE 34 Ca 0.13 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 1frj s ILE 34 Cb 0.03 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1frj s ILE 34 CO -0.02 0.46 1.34 -2.28 0.00 0.00 0.00 174.94 174.44 1frj s HIS 35 N 0.39 2.61 0.32 3.97 5.65 0.00 -4.51 115.29 123.73 1frj s HIS 35 Ca 0.02 0.82 0.16 0.00 0.25 0.00 0.00 55.06 56.32 1frj s HIS 35 Cb -0.13 -3.96 0.80 0.00 -1.18 0.00 0.00 32.58 28.12 1frj s HIS 35 CO 0.01 -1.83 1.83 -1.00 -0.65 0.00 0.00 174.74 173.10 1frj h PRO 36 N 9.54 0.00 -0.05 2.88 0.13 -1.90 -2.07 132.00 140.53 1frj h PRO 36 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1frj h PRO 36 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1frj h PRO 36 CO 1.04 0.35 -0.57 -0.44 -0.23 0.00 0.00 178.00 178.15 1frj h ASP 37 N 0.00 0.18 0.73 1.44 3.32 -1.99 -3.31 116.42 116.79 1frj h ASP 37 Ca -0.00 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 1frj h ASP 37 Cb 0.69 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1frj h ASP 37 CO 0.05 0.71 -1.37 -0.62 -1.72 0.00 0.00 179.24 176.29 1frj n GLU 38 N -3.89 0.62 -2.14 3.56 1.02 -0.83 -4.94 120.64 114.04 1frj n GLU 38 Ca -0.02 0.20 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 1frj n GLU 38 Cb 0.59 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 1frj n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1frj n ILE 40 N 1.11 1.10 -3.51 0.00 -5.35 -1.26 -4.81 119.36 106.64 1frj n ILE 40 Ca 0.01 -1.03 -0.26 0.00 -0.27 0.00 0.00 62.75 61.20 1frj n ILE 40 Cb 0.42 0.45 0.03 0.00 -1.74 0.00 0.00 39.64 38.81 1frj n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1frj n ASP 41 N 1.26 -5.30 0.16 7.28 8.00 -1.26 -4.89 116.55 121.80 1frj n ASP 41 Ca 0.21 -0.52 0.13 0.00 0.71 0.00 0.00 54.79 55.32 1frj n ASP 41 Cb 0.60 -4.25 0.50 0.00 -0.02 0.00 0.00 41.12 37.95 1frj n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frj n ALA 43 N -1.86 -0.06 0.25 0.00 0.00 -1.26 -4.87 120.51 112.71 1frj n ALA 43 Ca 0.02 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1frj n ALA 43 Cb 0.30 -1.46 0.64 0.00 0.00 0.00 0.00 19.45 18.92 1frj n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1frj h LEU 44 N 0.00 0.00 0.00 0.00 4.07 -1.93 -3.21 115.31 114.24 1frj h LEU 44 Ca -0.08 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.63 1frj h LEU 44 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1frj h LEU 44 CO 0.12 0.13 -1.12 0.00 -1.08 0.00 0.00 178.44 176.49 1frj h GLU 46 N 0.12 0.00 0.00 0.00 4.11 -1.88 -1.02 114.58 115.91 1frj h GLU 46 Ca -0.11 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 1frj h GLU 46 Cb 1.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1frj h GLU 46 CO 0.18 0.43 -0.26 -1.35 0.07 0.00 0.00 179.01 178.08 1frj h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.77 -3.10 132.00 128.31 1frj h PRO 47 Ca -0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1frj h PRO 47 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1frj h PRO 47 CO 0.06 0.26 -0.47 0.93 -0.21 0.00 0.00 178.00 178.57 1frj h GLU 48 N 0.00 0.00 -6.25 1.05 4.39 -1.35 -3.45 114.58 108.97 1frj h GLU 48 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1frj h GLU 48 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1frj h GLU 48 CO 0.03 0.47 1.16 0.00 -1.16 0.00 0.00 179.01 179.51 1frj h PRO 50 N 10.70 0.00 -0.02 0.00 0.11 -1.91 -2.02 132.00 138.86 1frj h PRO 50 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1frj h PRO 50 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1frj h PRO 50 CO 0.97 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 1frj n ALA 51 N -2.41 2.62 -4.27 -0.75 0.00 -1.26 -4.90 120.51 109.54 1frj n ALA 51 Ca -0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 1frj n ALA 51 Cb 0.31 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1frj n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1frj n GLN 52 N -0.37 -0.93 0.02 0.00 1.13 -0.76 -4.81 117.38 111.65 1frj n GLN 52 Ca 0.21 0.09 0.11 0.00 -1.94 0.00 0.00 57.00 55.47 1frj n GLN 52 Cb 0.23 -3.51 0.01 0.00 0.11 0.00 0.00 30.24 27.08 1frj n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frj n ALA 53 N -4.45 3.57 -2.66 -1.58 0.00 -1.26 -4.92 120.51 109.22 1frj n ALA 53 Ca -0.30 -0.43 -0.38 0.00 0.00 0.00 0.00 53.44 52.33 1frj n ALA 53 Cb 0.67 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1frj n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frj s ILE 54 N -3.17 5.22 0.02 0.00 1.01 -1.26 -0.84 121.20 122.19 1frj s ILE 54 Ca 0.04 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1frj s ILE 54 Cb 0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1frj s ILE 54 CO 0.81 0.58 -0.00 -0.36 0.00 0.00 0.00 174.94 175.97 1frj s PHE 55 N -0.93 0.25 0.34 3.97 0.40 -0.87 -4.85 117.98 116.28 1frj s PHE 55 Ca 0.20 -0.51 -0.28 0.00 -0.60 0.00 0.00 56.93 55.74 1frj s PHE 55 Cb -0.15 -0.18 -0.10 0.00 0.51 0.00 0.00 43.02 43.10 1frj s PHE 55 CO 0.09 -0.23 1.21 0.45 0.70 0.00 0.00 175.22 177.45 1frj s SER 56 N -1.59 6.82 0.30 1.36 0.15 -1.26 0.31 113.70 119.79 1frj s SER 56 Ca -0.14 2.48 0.01 0.00 0.70 0.00 0.00 55.95 59.00 1frj s SER 56 Cb -0.08 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.32 1frj s SER 56 CO -0.01 -0.48 1.58 -0.08 1.20 0.00 0.00 173.24 175.45 1frj h GLU 57 N 3.27 0.02 0.00 5.44 4.81 -1.45 0.19 114.58 126.86 1frj h GLU 57 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1frj h GLU 57 Cb 1.23 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1frj h GLU 57 CO 0.65 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.54 1frj n ASP 58 N -5.47 0.00 0.00 1.04 5.68 -1.26 -2.79 116.55 113.75 1frj n ASP 58 Ca 0.22 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1frj n ASP 58 Cb 0.73 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 1frj n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1frj n GLU 59 N -0.95 -0.53 -1.67 0.11 1.02 0.62 -5.02 120.64 114.22 1frj n GLU 59 Ca 0.20 -0.60 -0.46 0.00 -0.02 0.00 0.00 57.16 56.28 1frj n GLU 59 Cb 0.09 -0.98 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 1frj n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1frj n VAL 60 N -0.05 0.06 -1.33 2.62 0.31 -0.95 -4.87 118.33 114.12 1frj n VAL 60 Ca 0.00 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 63.95 1frj n VAL 60 Cb 0.04 -1.57 0.07 0.00 -0.91 0.00 0.00 33.84 31.47 1frj n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1frj n PRO 61 N 3.74 0.40 -0.27 5.55 -0.02 -1.26 -4.86 135.00 138.28 1frj n PRO 61 Ca 0.18 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1frj n PRO 61 Cb 0.29 -1.88 0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1frj n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1frj h GLU 62 N -0.21 0.84 0.00 -0.52 4.22 -2.02 -1.53 114.58 115.37 1frj h GLU 62 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1frj h GLU 62 Cb 1.36 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1frj h GLU 62 CO 0.44 0.56 0.00 -0.40 -2.18 0.00 0.00 179.01 177.43 1frj n ASP 63 N -4.68 0.00 -0.29 1.04 5.75 -1.26 -2.94 116.55 114.18 1frj n ASP 63 Ca 0.10 -1.94 0.06 0.00 -0.01 0.00 0.00 54.79 53.00 1frj n ASP 63 Cb 0.16 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.33 1frj n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1frj n MET 64 N -0.51 0.77 0.31 0.11 2.81 -0.58 -4.82 117.12 115.20 1frj n MET 64 Ca 0.01 -1.99 0.18 0.00 -1.81 0.00 0.00 57.70 54.09 1frj n MET 64 Cb 0.00 -1.08 1.00 0.00 -0.71 0.00 0.00 33.22 32.43 1frj n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1frj h GLN 65 N 0.06 0.00 -0.71 0.03 1.08 -1.49 -1.21 115.11 112.87 1frj h GLN 65 Ca -0.01 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1frj h GLN 65 Cb 1.18 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.57 1frj h GLN 65 CO 0.00 0.01 0.47 0.93 -0.95 0.00 0.00 178.83 179.29 1frj h GLU 66 N 0.00 0.85 0.00 1.46 3.07 -1.88 -2.80 114.58 115.28 1frj h GLU 66 Ca -0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1frj h GLU 66 Cb 0.06 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1frj h GLU 66 CO 0.00 0.56 -0.04 0.74 -1.40 0.00 0.00 179.01 178.87 1frj h PHE 67 N 0.87 0.00 0.44 4.33 0.04 -1.57 -1.13 116.94 119.92 1frj h PHE 67 Ca 0.28 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.03 1frj h PHE 67 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1frj h PHE 67 CO -0.00 0.04 -0.21 0.82 -0.60 0.00 0.00 178.31 178.36 1frj h ILE 68 N 0.00 0.50 -0.28 -0.55 2.04 -1.67 0.40 117.51 117.95 1frj h ILE 68 Ca -0.00 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 1frj h ILE 68 Cb 0.15 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1frj h ILE 68 CO 0.01 0.07 -0.35 -0.61 0.00 0.00 0.00 178.15 177.26 1frj h GLN 69 N -0.87 0.62 -0.81 2.37 4.15 -1.68 -2.78 115.11 116.11 1frj h GLN 69 Ca -0.06 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.10 1frj h GLN 69 Cb 0.56 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 1frj h GLN 69 CO 0.10 0.88 0.51 -0.07 -1.93 0.00 0.00 178.83 178.32 1frj h LEU 70 N 0.52 0.84 -0.68 -2.39 3.38 -0.94 -1.14 115.31 114.90 1frj h LEU 70 Ca 0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1frj h LEU 70 Cb 0.85 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1frj h LEU 70 CO 0.07 0.58 0.30 0.78 0.09 0.00 0.00 178.44 180.26 1frj h ASN 71 N 0.99 0.92 -0.53 -0.43 -0.26 -0.69 -1.07 115.58 114.51 1frj h ASN 71 Ca 0.33 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 1frj h ASN 71 Cb 0.03 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 1frj h ASN 71 CO -0.12 0.82 0.27 0.00 -1.06 0.00 0.00 177.43 177.33 1frj h ALA 72 N 1.14 0.68 0.16 -0.83 0.00 -1.13 -2.40 119.26 116.89 1frj h ALA 72 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1frj h ALA 72 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1frj h ALA 72 CO -0.02 0.23 -0.08 0.93 0.00 0.00 0.00 179.25 180.31 1frj h GLU 73 N 0.71 -0.21 0.00 0.00 4.39 -1.02 -3.27 114.58 115.19 1frj h GLU 73 Ca 0.18 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 1frj h GLU 73 Cb 0.10 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1frj h GLU 73 CO -0.03 0.11 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.68 1frj h LEU 74 N -0.54 0.00 -1.37 1.33 3.38 -1.22 -2.81 115.31 114.08 1frj h LEU 74 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1frj h LEU 74 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1frj h LEU 74 CO 0.04 0.19 -0.12 0.00 0.09 0.00 0.00 178.44 178.63 1frj h ALA 75 N 1.81 1.04 0.00 1.53 0.00 -1.48 0.12 119.26 122.28 1frj h ALA 75 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1frj h ALA 75 Cb 0.72 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1frj h ALA 75 CO 0.02 0.15 -0.27 0.93 0.00 0.00 0.00 179.25 180.09 1frj h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.55 -3.37 114.58 114.05 1frj h GLU 76 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1frj h GLU 76 Cb 0.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1frj h GLU 76 CO 0.02 0.27 -1.53 1.33 -1.16 0.00 0.00 179.01 177.93 1frj n VAL 77 N -3.17 0.01 -3.24 3.13 0.24 -0.23 -5.01 118.33 110.06 1frj n VAL 77 Ca 0.03 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 1frj n VAL 77 Cb 0.64 0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 33.20 1frj n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1frj s TRP 78 N -2.80 3.46 0.45 6.34 0.51 0.24 -5.08 118.94 122.07 1frj s TRP 78 Ca -0.04 0.78 -0.23 0.00 -2.12 0.00 0.00 56.10 54.49 1frj s TRP 78 Cb 0.07 -2.21 -0.08 0.00 -0.81 0.00 0.00 33.47 30.45 1frj s TRP 78 CO 0.48 0.13 1.14 -1.25 -0.51 0.00 0.00 176.95 176.94 1frj s PRO 79 N -3.48 3.80 0.25 4.98 0.04 -1.25 -4.66 135.00 134.68 1frj s PRO 79 Ca 0.46 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 1frj s PRO 79 Cb -0.11 -2.40 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1frj s PRO 79 CO 0.28 -0.50 1.59 1.21 0.04 0.00 0.00 177.00 179.62 1frj s ASN 80 N -1.43 6.45 -0.18 6.66 3.04 -1.26 0.16 114.94 128.39 1frj s ASN 80 Ca 0.63 2.84 -0.04 0.00 0.04 0.00 0.00 52.86 56.34 1frj s ASN 80 Cb -0.27 -2.62 -0.02 0.00 -1.54 0.00 0.00 41.25 36.80 1frj s ASN 80 CO 0.33 -0.88 -0.03 -0.51 -3.04 0.00 0.00 177.10 172.97 1frj s ILE 81 N 0.35 3.76 -0.52 -5.21 2.07 -0.57 -4.78 121.20 116.30 1frj s ILE 81 Ca 0.65 -0.39 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1frj s ILE 81 Cb -0.47 -2.67 0.02 0.00 0.13 0.00 0.00 42.46 39.47 1frj s ILE 81 CO 0.42 0.46 0.54 0.35 -1.91 0.00 0.00 174.94 174.80 1frj n THR 82 N 4.01 0.00 -4.72 4.00 -2.24 -1.26 -4.61 114.28 109.46 1frj n THR 82 Ca -0.17 -0.47 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 1frj n THR 82 Cb 0.52 1.08 -0.15 0.00 -2.10 0.00 0.00 70.33 69.68 1frj n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1frj s GLU 83 N -0.66 1.32 0.66 -0.78 2.02 -1.26 -4.84 118.70 115.17 1frj s GLU 83 Ca 0.05 -0.54 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 1frj s GLU 83 Cb 0.04 -1.25 -0.02 0.00 0.10 0.00 0.00 34.13 33.00 1frj s GLU 83 CO 0.09 0.30 0.94 1.17 0.02 0.00 0.00 175.26 177.78 1frj n LYS 84 N 2.81 0.68 -4.06 1.61 4.81 -1.26 -5.00 118.16 117.75 1frj n LYS 84 Ca -0.15 0.28 -0.18 0.00 -0.87 0.00 0.00 58.31 57.39 1frj n LYS 84 Cb 0.54 -2.17 -0.07 0.00 0.02 0.00 0.00 35.03 33.35 1frj n LYS 84 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1frj n LYS 85 N -1.38 0.42 -1.93 1.64 2.85 -1.26 -5.12 118.16 113.38 1frj n LYS 85 Ca 0.13 -3.07 -0.34 0.00 -1.05 0.00 0.00 58.31 53.99 1frj n LYS 85 Cb 0.49 2.57 0.03 0.00 -0.65 0.00 0.00 35.03 37.47 1frj n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1frj s ASP 86 N -3.17 5.28 0.97 -5.58 1.01 -1.26 -4.69 116.67 109.23 1frj s ASP 86 Ca 0.36 2.10 -0.11 0.00 0.71 0.00 0.00 52.55 55.61 1frj s ASP 86 Cb 0.01 -2.57 0.17 0.00 1.01 0.00 0.00 42.92 41.55 1frj s ASP 86 CO 0.26 -1.52 1.08 -2.65 0.21 0.00 0.00 175.17 172.55 1frj n PRO 87 N -2.00 -0.84 -1.92 8.23 -0.02 -1.26 -4.87 135.00 132.31 1frj n PRO 87 Ca 0.11 -0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1frj n PRO 87 Cb 0.51 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 1frj n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1frj s LEU 88 N -6.44 3.59 0.26 2.45 1.43 -0.95 -4.87 118.68 114.16 1frj s LEU 88 Ca 0.67 2.31 -0.03 0.00 -1.03 0.00 0.00 54.13 56.05 1frj s LEU 88 Cb -0.23 -4.59 0.53 0.00 0.03 0.00 0.00 46.19 41.93 1frj s LEU 88 CO 0.60 -1.65 1.67 -0.65 0.23 0.00 0.00 176.35 176.54 1frj h PRO 89 N 0.64 0.23 -0.63 1.29 0.11 -1.91 -1.37 132.00 130.36 1frj h PRO 89 Ca -0.50 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.36 1frj h PRO 89 Cb 1.29 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.20 1frj h PRO 89 CO 0.54 0.15 0.23 -0.25 -0.21 0.00 0.00 178.00 178.46 1frj n ASP 90 N -5.20 3.94 -0.35 -2.05 9.92 -1.26 -4.78 116.55 116.77 1frj n ASP 90 Ca 0.16 -3.40 0.06 0.00 -0.53 0.00 0.00 54.79 51.08 1frj n ASP 90 Cb 0.52 -0.71 0.22 0.00 -0.64 0.00 0.00 41.12 40.52 1frj n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1frj h ALA 91 N 1.82 1.46 0.00 2.24 0.00 -1.41 -1.95 119.26 121.42 1frj h ALA 91 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1frj h ALA 91 Cb 2.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1frj h ALA 91 CO 0.66 0.23 -0.09 -0.85 0.00 0.00 0.00 179.25 179.19 1frj n GLU 92 N -4.63 0.26 -0.15 0.00 -0.00 -1.26 -1.60 120.64 113.26 1frj n GLU 92 Ca 0.18 0.19 -0.08 0.00 -0.00 0.00 0.00 57.16 57.46 1frj n GLU 92 Cb 0.33 -1.79 0.08 0.00 -0.00 0.00 0.00 31.44 30.06 1frj n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1frj h ASP 93 N 0.00 0.91 0.32 -1.84 3.32 -1.74 -3.19 116.42 114.20 1frj h ASP 93 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1frj h ASP 93 Cb 0.74 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1frj h ASP 93 CO 0.00 1.01 -0.20 0.79 -1.72 0.00 0.00 179.24 179.12 1frj n TRP 94 N -4.17 0.00 -2.39 4.55 7.02 -0.88 -4.78 117.44 116.80 1frj n TRP 94 Ca 0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.07 1frj n TRP 94 Cb 0.36 -0.16 -0.02 0.00 -2.42 0.00 0.00 31.31 29.07 1frj n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1frj s ASP 95 N -2.52 6.48 0.00 -0.99 -1.08 -0.63 -2.36 116.67 115.57 1frj s ASP 95 Ca 0.25 0.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.24 1frj s ASP 95 Cb 0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1frj s ASP 95 CO 0.51 -1.28 0.00 0.61 0.52 0.00 0.00 175.17 175.52 1frj n GLY 96 N 4.77 0.71 3.74 2.66 0.00 -1.26 -5.01 105.19 110.78 1frj n GLY 96 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1frj n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frj s VAL 97 N -2.00 4.22 0.51 1.61 1.01 -0.99 -5.05 120.40 119.71 1frj s VAL 97 Ca 0.00 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1frj s VAL 97 Cb 0.00 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1frj s VAL 97 CO 0.00 0.35 0.75 -1.59 0.00 0.00 0.00 175.10 174.61 1frj s LYS 98 N -0.38 2.93 -1.01 2.72 -2.85 -1.26 -4.47 119.74 115.42 1frj s LYS 98 Ca 0.46 -0.40 -0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1frj s LYS 98 Cb -0.26 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 1frj s LYS 98 CO 0.32 -0.46 0.06 0.41 0.10 0.00 0.00 175.35 175.77 1frj n GLY 99 N -2.26 -0.11 0.00 0.59 0.00 -1.26 -4.92 105.19 97.23 1frj n GLY 99 Ca 0.03 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1frj n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frj n LYS 100 N -2.24 0.31 0.26 1.61 5.02 -1.26 -3.45 118.16 118.42 1frj n LYS 100 Ca -0.13 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.28 1frj n LYS 100 Cb 0.60 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.76 1frj n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1frj h LEU 101 N 0.00 0.00 -0.56 -0.35 5.85 -1.91 0.73 115.31 119.07 1frj h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1frj h LEU 101 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1frj h LEU 101 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1frj n GLN 102 N -4.53 0.09 -0.04 1.25 10.64 -1.22 -1.82 117.38 121.75 1frj n GLN 102 Ca -0.03 0.45 0.12 0.00 -1.83 0.00 0.00 57.00 55.71 1frj n GLN 102 Cb 0.09 -1.72 0.13 0.00 -0.86 0.00 0.00 30.24 27.88 1frj n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1frj n HIS 103 N -1.90 0.11 -1.79 2.61 8.25 0.25 -5.00 115.22 117.75 1frj n HIS 103 Ca 0.01 -0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 1frj n HIS 103 Cb 0.12 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 1frj n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1frj s LEU 104 N -1.88 4.37 -0.13 2.41 2.96 -0.75 -4.97 118.68 120.68 1frj s LEU 104 Ca 0.31 2.83 -0.05 0.00 -0.22 0.00 0.00 54.13 57.00 1frj s LEU 104 Cb 0.21 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1frj s LEU 104 CO 0.30 -0.92 0.04 -1.61 -1.32 0.00 0.00 176.35 172.84 1frj s GLU 105 N 0.75 3.48 0.00 1.98 2.02 -1.26 -5.11 118.70 120.57 1frj s GLU 105 Ca 0.71 -0.36 0.29 0.00 0.02 0.00 0.00 54.97 55.63 1frj s GLU 105 Cb -0.48 -3.01 1.22 0.00 0.10 0.00 0.00 34.13 31.96 1frj s GLU 105 CO 0.36 0.51 1.84 -2.13 0.02 0.00 0.00 175.26 175.85