#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfy s ALA 7 N 0.00 2.74 -0.26 3.52 0.00 0.92 -4.92 121.76 123.77 1cfy s ALA 7 Ca 0.00 -1.68 -0.21 0.00 0.00 0.00 0.00 51.96 50.07 1cfy s ALA 7 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1cfy s ALA 7 CO 0.00 0.38 0.68 0.08 0.00 0.00 0.00 175.76 176.90 1cfy s VAL 8 N -1.98 4.94 0.42 0.00 1.01 -1.26 -0.39 120.40 123.14 1cfy s VAL 8 Ca 0.25 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.20 1cfy s VAL 8 Cb -0.07 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1cfy s VAL 8 CO 0.13 -0.02 1.36 0.00 0.00 0.00 0.00 175.10 176.58 1cfy s ALA 9 N 2.61 3.26 0.39 5.51 0.00 -0.50 -4.87 121.76 128.16 1cfy s ALA 9 Ca 0.28 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.70 1cfy s ALA 9 Cb -0.15 -3.53 0.91 0.00 0.00 0.00 0.00 23.12 20.34 1cfy s ALA 9 CO 0.08 -0.98 1.90 0.22 0.00 0.00 0.00 175.76 176.98 1cfy h ASP 10 N 2.54 0.54 -0.20 0.00 1.82 -1.96 -0.43 116.42 118.75 1cfy h ASP 10 Ca -0.50 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.16 1cfy h ASP 10 Cb 1.25 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 1cfy h ASP 10 CO 0.62 0.28 0.10 1.05 -1.61 0.00 0.00 179.24 179.68 1cfy h GLU 11 N 0.58 0.32 -0.32 0.28 4.11 -1.93 -2.25 114.58 115.38 1cfy h GLU 11 Ca 0.40 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.75 1cfy h GLU 11 Cb 0.74 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1cfy h GLU 11 CO -0.16 0.26 -0.02 0.77 0.07 0.00 0.00 179.01 179.93 1cfy h SER 12 N 0.32 0.57 -0.45 3.06 0.02 -1.34 -1.63 113.55 114.10 1cfy h SER 12 Ca 0.08 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1cfy h SER 12 Cb 0.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1cfy h SER 12 CO -0.01 0.76 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.26 1cfy h LEU 13 N 0.37 0.87 -0.69 5.07 3.38 -1.50 -2.49 115.31 120.32 1cfy h LEU 13 Ca 0.09 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1cfy h LEU 13 Cb 0.48 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1cfy h LEU 13 CO 0.02 1.03 0.29 0.74 0.09 0.00 0.00 178.44 180.61 1cfy h THR 14 N 0.71 1.24 -0.60 0.22 2.02 -1.36 -1.82 112.91 113.32 1cfy h THR 14 Ca 0.12 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1cfy h THR 14 Cb 0.65 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1cfy h THR 14 CO 0.04 0.30 0.37 0.00 0.37 0.00 0.00 175.52 176.60 1cfy h ALA 15 N 1.13 0.76 -0.03 6.16 0.00 -1.21 -1.68 119.26 124.39 1cfy h ALA 15 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1cfy h ALA 15 Cb 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1cfy h ALA 15 CO -0.02 0.22 0.02 0.35 0.00 0.00 0.00 179.25 179.82 1cfy h PHE 16 N 0.81 0.03 -0.49 0.00 3.57 -1.01 -1.55 116.94 118.31 1cfy h PHE 16 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1cfy h PHE 16 Cb -0.05 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1cfy h PHE 16 CO -0.03 0.02 0.24 -0.91 -2.23 0.00 0.00 178.31 175.41 1cfy h ASN 17 N 0.04 0.60 -0.23 0.41 2.35 -1.19 0.34 115.58 117.89 1cfy h ASN 17 Ca 0.01 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 1cfy h ASN 17 Cb -0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1cfy h ASN 17 CO -0.00 0.51 -0.45 0.44 -1.65 0.00 0.00 177.43 176.27 1cfy h ASP 18 N 0.68 0.86 0.16 5.81 3.32 -1.01 -0.64 116.42 125.59 1cfy h ASP 18 Ca 0.17 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1cfy h ASP 18 Cb 0.06 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1cfy h ASP 18 CO -0.02 1.18 -0.08 0.25 -1.72 0.00 0.00 179.24 178.85 1cfy h LEU 19 N 0.63 -0.18 0.08 1.55 6.46 -0.18 0.75 115.31 124.43 1cfy h LEU 19 Ca 0.04 -0.28 0.02 0.00 -0.12 0.00 0.00 57.88 57.54 1cfy h LEU 19 Cb 1.03 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1cfy h LEU 19 CO 0.10 0.20 -0.22 0.50 -0.62 0.00 0.00 178.44 178.40 1cfy h LYS 20 N -0.59 -0.39 0.04 1.25 3.64 -0.39 -0.36 116.57 119.77 1cfy h LYS 20 Ca -0.02 0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.06 1cfy h LYS 20 Cb 0.45 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1cfy h LYS 20 CO 0.04 -0.26 -1.91 1.28 -2.27 0.00 0.00 179.45 176.33 1cfy n LEU 21 N -5.35 1.45 -0.23 5.20 4.77 -0.25 -4.53 117.00 118.06 1cfy n LEU 21 Ca -0.06 0.28 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1cfy n LEU 21 Cb 0.26 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1cfy n LEU 21 CO 0.25 0.57 0.20 0.61 -1.33 0.00 0.00 177.39 177.70 1cfy n GLY 22 N 1.75 -0.13 2.92 -0.72 0.00 0.07 -4.98 105.19 104.10 1cfy n GLY 22 Ca -0.25 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1cfy n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cfy n LYS 23 N -0.30 -4.09 -0.15 1.61 4.76 -0.10 -4.87 118.16 115.02 1cfy n LYS 23 Ca 0.04 0.87 -0.06 0.00 -2.87 0.00 0.00 58.31 56.30 1cfy n LYS 23 Cb 0.22 -5.68 0.11 0.00 -1.84 0.00 0.00 35.03 27.85 1cfy n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1cfy h LYS 24 N -1.05 0.90 -6.02 1.97 3.64 -1.57 -3.44 116.57 111.00 1cfy h LYS 24 Ca -0.51 -0.25 -0.54 0.00 -1.27 0.00 0.00 60.65 58.08 1cfy h LYS 24 Cb 1.35 -0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.90 1cfy h LYS 24 CO 0.56 0.89 -0.78 0.71 -2.27 0.00 0.00 179.45 178.56 1cfy s TYR 25 N -5.01 1.90 -0.02 1.91 2.02 -1.26 -4.83 117.35 112.06 1cfy s TYR 25 Ca -0.10 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.19 1cfy s TYR 25 Cb 0.14 -0.94 -0.24 0.00 -0.40 0.00 0.00 41.96 40.52 1cfy s TYR 25 CO 0.83 0.37 0.75 -0.22 -1.57 0.00 0.00 175.55 175.71 1cfy h LYS 26 N 3.16 0.10 -2.87 -0.62 1.63 -0.76 -3.45 116.57 113.77 1cfy h LYS 26 Ca -0.42 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.17 1cfy h LYS 26 Cb 1.21 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.77 1cfy h LYS 26 CO 0.52 0.83 0.17 -0.59 -3.45 0.00 0.00 179.45 176.93 1cfy s PHE 27 N -2.61 -0.52 -0.01 1.91 -0.12 -1.12 -1.06 117.98 114.44 1cfy s PHE 27 Ca -0.08 0.42 0.01 0.00 -0.05 0.00 0.00 56.93 57.24 1cfy s PHE 27 Cb 0.08 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1cfy s PHE 27 CO 0.82 -0.79 -0.03 0.42 -0.05 0.00 0.00 175.22 175.59 1cfy s ILE 28 N -3.29 0.33 -0.13 -4.49 1.01 -0.75 -1.55 121.20 112.34 1cfy s ILE 28 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1cfy s ILE 28 Cb -0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1cfy s ILE 28 CO -0.09 0.13 -0.04 -0.76 0.00 0.00 0.00 174.94 174.18 1cfy s LEU 29 N 0.29 3.25 0.19 2.97 1.43 0.39 -1.50 118.68 125.70 1cfy s LEU 29 Ca -0.03 -0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1cfy s LEU 29 Cb -0.06 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1cfy s LEU 29 CO -0.00 0.23 -0.24 -0.36 0.23 0.00 0.00 176.35 176.20 1cfy s PHE 30 N 0.02 2.31 0.34 0.29 0.40 -0.23 -0.39 117.98 120.71 1cfy s PHE 30 Ca 0.00 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.82 1cfy s PHE 30 Cb -0.13 -1.15 0.03 0.00 0.51 0.00 0.00 43.02 42.28 1cfy s PHE 30 CO 0.03 0.50 0.71 0.20 0.70 0.00 0.00 175.22 177.35 1cfy s GLY 31 N -2.66 0.36 0.24 4.36 0.00 -0.89 -1.27 107.32 107.46 1cfy s GLY 31 Ca 0.21 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 44.07 1cfy s GLY 31 CO 0.10 -0.34 0.65 1.08 0.00 0.00 0.00 173.10 174.59 1cfy s LEU 32 N -3.04 4.21 0.89 0.66 1.43 -1.26 -0.79 118.68 120.78 1cfy s LEU 32 Ca 0.16 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 1cfy s LEU 32 Cb -0.05 -3.70 0.12 0.00 0.03 0.00 0.00 46.19 42.60 1cfy s LEU 32 CO 0.11 -0.05 1.12 0.54 0.23 0.00 0.00 176.35 178.29 1cfy s ASN 33 N -2.02 3.69 0.33 2.29 4.22 0.38 -4.85 114.94 118.98 1cfy s ASN 33 Ca 0.46 1.12 0.08 0.00 -2.14 0.00 0.00 52.86 52.38 1cfy s ASN 33 Cb -0.13 -1.75 0.81 0.00 1.28 0.00 0.00 41.25 41.45 1cfy s ASN 33 CO 0.19 -2.46 1.81 0.44 -2.04 0.00 0.00 177.10 175.05 1cfy h ASP 34 N -1.43 0.70 0.45 3.54 3.32 -1.97 0.13 116.42 121.17 1cfy h ASP 34 Ca -0.50 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1cfy h ASP 34 Cb 1.31 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1cfy h ASP 34 CO 0.60 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 178.41 1cfy n ALA 35 N -2.39 2.14 -3.48 3.45 0.00 -1.26 -4.87 120.51 114.10 1cfy n ALA 35 Ca 0.21 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1cfy n ALA 35 Cb 0.56 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.69 1cfy n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cfy n LYS 36 N -1.31 -6.01 -0.00 0.00 4.01 0.45 -4.87 118.16 110.44 1cfy n LYS 36 Ca 0.10 0.76 0.02 0.00 -0.51 0.00 0.00 58.31 58.68 1cfy n LYS 36 Cb 0.19 -5.69 -0.02 0.00 -0.51 0.00 0.00 35.03 29.00 1cfy n LYS 36 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1cfy n THR 37 N -4.68 0.00 -3.77 -0.18 -2.24 -1.26 -4.57 114.28 97.58 1cfy n THR 37 Ca -0.02 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1cfy n THR 37 Cb 0.57 0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 1cfy n THR 37 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1cfy s GLU 38 N -1.47 0.73 -0.40 -0.78 2.02 -1.25 -0.05 118.70 117.49 1cfy s GLU 38 Ca 0.01 -0.39 -0.15 0.00 0.02 0.00 0.00 54.97 54.46 1cfy s GLU 38 Cb 0.03 0.32 0.01 0.00 0.10 0.00 0.00 34.13 34.59 1cfy s GLU 38 CO 0.15 -0.22 0.31 0.42 0.02 0.00 0.00 175.26 175.94 1cfy s ILE 39 N -2.01 5.24 0.43 -1.63 1.01 0.47 -0.47 121.20 124.25 1cfy s ILE 39 Ca -0.09 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1cfy s ILE 39 Cb -0.03 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1cfy s ILE 39 CO -0.00 -0.26 0.10 0.68 0.00 0.00 0.00 174.94 175.45 1cfy s VAL 40 N 1.75 1.99 -0.00 2.92 -7.23 0.03 -1.41 120.40 118.44 1cfy s VAL 40 Ca 0.06 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.16 1cfy s VAL 40 Cb -0.18 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 1cfy s VAL 40 CO 0.11 0.00 0.65 0.68 -0.31 0.00 0.00 175.10 176.22 1cfy s VAL 41 N -2.69 4.89 -0.21 1.32 -7.23 -1.26 -2.09 120.40 113.13 1cfy s VAL 41 Ca 0.33 1.36 0.12 0.00 -1.81 0.00 0.00 61.98 61.98 1cfy s VAL 41 Cb 0.06 -3.99 -0.22 0.00 0.56 0.00 0.00 36.38 32.79 1cfy s VAL 41 CO 0.18 0.38 -0.01 0.29 -0.31 0.00 0.00 175.10 175.63 1cfy n LYS 42 N 2.91 0.68 -3.52 4.82 4.76 0.47 -4.93 118.16 123.35 1cfy n LYS 42 Ca -0.05 0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.27 1cfy n LYS 42 Cb 0.51 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 1cfy n LYS 42 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1cfy s GLU 43 N -2.50 1.04 0.11 1.97 2.56 -1.11 -4.98 118.70 115.78 1cfy s GLU 43 Ca -0.18 0.27 0.05 0.00 0.00 0.00 0.00 54.97 55.11 1cfy s GLU 43 Cb 0.07 0.49 -0.04 0.00 2.00 0.00 0.00 34.13 36.65 1cfy s GLU 43 CO 0.75 -0.32 -0.13 0.95 -0.56 0.00 0.00 175.26 175.96 1cfy s THR 44 N -1.15 1.20 0.02 -1.70 -4.23 -1.26 -0.46 115.64 108.05 1cfy s THR 44 Ca -0.10 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 58.56 1cfy s THR 44 Cb -0.00 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.39 1cfy s THR 44 CO 0.10 -0.47 0.34 -0.55 -0.54 0.00 0.00 174.62 173.50 1cfy s SER 45 N -2.46 -0.20 -0.06 3.99 0.15 -0.59 -5.00 113.70 109.54 1cfy s SER 45 Ca 0.08 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.78 1cfy s SER 45 Cb -0.04 0.36 0.13 0.00 -1.71 0.00 0.00 66.02 64.76 1cfy s SER 45 CO 0.02 -0.57 1.04 0.35 1.20 0.00 0.00 173.24 175.28 1cfy n THR 46 N 0.79 1.28 -2.50 6.45 -2.24 -1.26 -0.04 114.28 116.76 1cfy n THR 46 Ca -0.20 -1.45 -0.43 0.00 -2.27 0.00 0.00 64.05 59.71 1cfy n THR 46 Cb 0.58 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1cfy n THR 46 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cfy s ASP 47 N -1.79 6.94 0.32 3.42 -1.08 -1.26 -4.77 116.67 118.46 1cfy s ASP 47 Ca 0.14 1.49 0.26 0.00 -0.52 0.00 0.00 52.55 53.92 1cfy s ASP 47 Cb 0.13 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 40.03 1cfy s ASP 47 CO 0.01 -0.80 1.78 1.55 0.52 0.00 0.00 175.17 178.23 1cfy h PRO 48 N 8.18 0.00 -6.39 4.34 0.13 -2.00 -3.45 132.00 132.81 1cfy h PRO 48 Ca -0.24 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.35 1cfy h PRO 48 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1cfy h PRO 48 CO 0.99 0.00 0.81 0.45 -0.23 0.00 0.00 178.00 180.02 1cfy s SER 49 N -4.73 6.86 0.46 1.44 0.15 -1.26 -4.89 113.70 111.72 1cfy s SER 49 Ca 0.05 2.13 0.19 0.00 0.70 0.00 0.00 55.95 59.02 1cfy s SER 49 Cb 0.10 -2.56 1.11 0.00 -1.71 0.00 0.00 66.02 62.96 1cfy s SER 49 CO 0.48 -0.70 1.98 0.22 1.20 0.00 0.00 173.24 176.42 1cfy h TYR 50 N 7.71 0.00 -0.49 3.44 3.20 -2.02 -2.44 116.97 126.37 1cfy h TYR 50 Ca -0.38 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.46 1cfy h TYR 50 Cb 1.18 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 1cfy h TYR 50 CO 0.74 0.20 0.19 -0.44 -1.64 0.00 0.00 178.16 177.21 1cfy h ASP 51 N 0.00 0.64 0.44 -2.11 3.32 -1.97 -1.25 116.42 115.49 1cfy h ASP 51 Ca -0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1cfy h ASP 51 Cb 0.41 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1cfy h ASP 51 CO 0.03 0.58 -0.10 0.00 -1.72 0.00 0.00 179.24 178.03 1cfy h ALA 52 N 1.51 1.20 0.07 3.45 0.00 -1.81 -1.39 119.26 122.30 1cfy h ALA 52 Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cfy h ALA 52 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cfy h ALA 52 CO -0.02 0.13 -0.03 0.35 0.00 0.00 0.00 179.25 179.68 1cfy h PHE 53 N 0.00 -0.08 -0.73 0.00 3.57 -1.31 -3.36 116.94 115.03 1cfy h PHE 53 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1cfy h PHE 53 Cb 0.35 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 1cfy h PHE 53 CO 0.00 0.48 0.39 -0.07 -2.23 0.00 0.00 178.31 176.88 1cfy h LEU 54 N -0.91 0.54 0.00 0.59 3.38 -1.22 -1.35 115.31 116.34 1cfy h LEU 54 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cfy h LEU 54 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1cfy h LEU 54 CO 0.01 0.32 0.00 -1.84 0.09 0.00 0.00 178.44 177.02 1cfy n GLU 55 N -4.81 0.27 -0.16 1.13 0.28 -0.54 -1.48 120.64 115.32 1cfy n GLU 55 Ca 0.11 0.08 0.09 0.00 -0.16 0.00 0.00 57.16 57.28 1cfy n GLU 55 Cb 0.26 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.80 1cfy n GLU 55 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1cfy n LYS 56 N -1.13 2.22 -2.71 3.44 5.02 -0.51 -4.91 118.16 119.57 1cfy n LYS 56 Ca 0.07 -2.02 -0.43 0.00 -2.02 0.00 0.00 58.31 53.91 1cfy n LYS 56 Cb 0.06 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1cfy n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cfy s LEU 57 N -1.21 3.98 0.05 -0.35 1.43 -0.55 -4.96 118.68 117.07 1cfy s LEU 57 Ca 0.30 0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 54.04 1cfy s LEU 57 Cb 0.17 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 1cfy s LEU 57 CO 0.24 -0.81 1.90 -0.81 0.23 0.00 0.00 176.35 177.09 1cfy n PRO 58 N 6.70 2.71 -0.32 1.29 -0.04 -1.26 -4.89 135.00 139.18 1cfy n PRO 58 Ca 0.10 0.99 0.13 0.00 -0.04 0.00 0.00 63.50 64.68 1cfy n PRO 58 Cb 0.47 -2.90 0.32 0.00 -0.04 0.00 0.00 33.50 31.35 1cfy n PRO 58 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1cfy h GLU 59 N 9.46 0.48 -0.96 0.54 4.57 -1.98 -3.28 114.58 123.41 1cfy h GLU 59 Ca -0.48 -0.03 -0.37 0.00 -1.18 0.00 0.00 59.36 57.30 1cfy h GLU 59 Cb 1.24 -0.11 -0.26 0.00 -0.16 0.00 0.00 28.75 29.46 1cfy h GLU 59 CO 0.94 0.32 -0.79 0.27 -1.18 0.00 0.00 179.01 178.57 1cfy n ASN 60 N -4.96 -1.14 -3.50 1.04 0.23 -1.26 -4.67 115.26 100.99 1cfy n ASN 60 Ca 0.23 -3.19 -0.16 0.00 -0.53 0.00 0.00 54.58 50.93 1cfy n ASN 60 Cb 0.64 0.69 -0.05 0.00 -2.08 0.00 0.00 39.78 38.98 1cfy n ASN 60 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1cfy s ASP 61 N -1.64 -0.60 0.31 0.53 2.15 -1.24 -4.32 116.67 111.85 1cfy s ASP 61 Ca 0.32 0.52 0.04 0.00 0.43 0.00 0.00 52.55 53.86 1cfy s ASP 61 Cb 0.26 0.52 -0.02 0.00 -0.30 0.00 0.00 42.92 43.38 1cfy s ASP 61 CO -0.12 -0.66 0.46 0.00 -0.17 0.00 0.00 175.17 174.68 1cfy s LEU 63 N -4.16 -0.25 0.20 0.00 0.05 -0.62 -4.94 118.68 108.95 1cfy s LEU 63 Ca 0.39 -0.26 0.10 0.00 0.05 0.00 0.00 54.13 54.41 1cfy s LEU 63 Cb -0.09 2.14 -0.04 0.00 -2.05 0.00 0.00 46.19 46.14 1cfy s LEU 63 CO 0.32 -0.82 -0.12 -0.31 -0.55 0.00 0.00 176.35 174.87 1cfy s TYR 64 N -3.26 2.56 0.09 3.48 2.02 -0.40 -0.87 117.35 120.97 1cfy s TYR 64 Ca 0.09 -0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 1cfy s TYR 64 Cb -0.01 -1.24 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1cfy s TYR 64 CO -0.02 0.53 0.31 0.00 -1.57 0.00 0.00 175.55 174.81 1cfy s ALA 65 N -1.81 -0.66 -0.06 3.71 0.00 -0.54 -1.07 121.76 121.33 1cfy s ALA 65 Ca 0.25 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1cfy s ALA 65 Cb -0.08 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1cfy s ALA 65 CO 0.15 -0.53 -0.10 0.42 0.00 0.00 0.00 175.76 175.70 1cfy s ILE 66 N -3.37 0.97 -0.05 0.00 -1.09 -0.56 -1.48 121.20 115.61 1cfy s ILE 66 Ca 0.01 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 1cfy s ILE 66 Cb 0.02 -0.91 0.01 0.00 -1.58 0.00 0.00 42.46 39.99 1cfy s ILE 66 CO -0.09 0.32 -0.12 -0.47 -1.23 0.00 0.00 174.94 173.36 1cfy s TYR 67 N 0.82 1.36 -0.84 3.97 6.14 0.18 -1.80 117.35 127.18 1cfy s TYR 67 Ca -0.12 -0.45 -0.21 0.00 0.64 0.00 0.00 57.07 56.92 1cfy s TYR 67 Cb -0.15 -0.99 0.09 0.00 0.42 0.00 0.00 41.96 41.33 1cfy s TYR 67 CO 0.02 -0.22 1.13 0.34 0.64 0.00 0.00 175.55 177.46 1cfy s ASP 68 N 0.51 6.42 -0.36 4.32 2.15 -0.22 -1.03 116.67 128.46 1cfy s ASP 68 Ca -0.11 -1.49 -0.25 0.00 0.43 0.00 0.00 52.55 51.13 1cfy s ASP 68 Cb -0.14 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1cfy s ASP 68 CO 0.03 -1.31 0.88 0.12 -0.17 0.00 0.00 175.17 174.72 1cfy s PHE 69 N 3.72 3.10 -0.14 -5.34 2.19 0.71 -4.88 117.98 117.34 1cfy s PHE 69 Ca 0.31 0.74 -0.09 0.00 0.33 0.00 0.00 56.93 58.22 1cfy s PHE 69 Cb -0.08 -3.55 -0.04 0.00 -1.31 0.00 0.00 43.02 38.03 1cfy s PHE 69 CO -0.01 -0.78 0.16 -2.00 1.83 0.00 0.00 175.22 174.41 1cfy s GLU 70 N 3.34 3.75 0.07 10.12 2.12 -1.26 -0.10 118.70 136.74 1cfy s GLU 70 Ca 0.36 -0.13 -0.16 0.00 0.36 0.00 0.00 54.97 55.40 1cfy s GLU 70 Cb -0.12 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 31.02 1cfy s GLU 70 CO 0.18 0.59 0.38 1.52 -0.54 0.00 0.00 175.26 177.39 1cfy s TYR 71 N -0.50 -0.20 -0.07 5.30 1.13 0.09 -4.99 117.35 118.11 1cfy s TYR 71 Ca 0.13 0.03 -0.22 0.00 -1.41 0.00 0.00 57.07 55.60 1cfy s TYR 71 Cb -0.12 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1cfy s TYR 71 CO 0.02 -0.61 0.65 -2.00 -2.51 0.00 0.00 175.55 171.10 1cfy s GLU 72 N -3.03 4.41 -0.07 -3.49 2.12 -1.26 -0.68 118.70 116.70 1cfy s GLU 72 Ca -0.02 0.78 -0.18 0.00 0.36 0.00 0.00 54.97 55.92 1cfy s GLU 72 Cb 0.00 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1cfy s GLU 72 CO -0.06 0.12 0.48 -1.50 -0.54 0.00 0.00 175.26 173.76 1cfy s ILE 73 N 0.64 5.09 0.81 -3.70 1.10 -0.08 -4.93 121.20 120.14 1cfy s ILE 73 Ca 0.34 0.98 -0.12 0.00 -0.51 0.00 0.00 60.65 61.34 1cfy s ILE 73 Cb -0.17 -3.81 0.08 0.00 0.15 0.00 0.00 42.46 38.71 1cfy s ILE 73 CO 0.17 0.40 1.17 0.20 -2.11 0.00 0.00 174.94 174.77 1cfy s ASN 74 N 0.06 4.47 0.00 4.50 0.01 -1.26 -3.75 114.94 118.98 1cfy s ASN 74 Ca 0.26 0.83 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 1cfy s ASN 74 Cb -0.16 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.15 1cfy s ASN 74 CO 0.12 -1.93 0.00 0.61 -1.51 0.00 0.00 177.10 174.39 1cfy n GLY 75 N -3.18 0.66 3.42 0.66 0.00 -1.26 -4.23 105.19 101.26 1cfy n GLY 75 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1cfy n GLY 75 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cfy n ASN 76 N 0.00 -4.12 0.13 1.61 5.03 -1.26 -4.89 115.26 111.76 1cfy n ASN 76 Ca 0.00 -0.56 0.12 0.00 0.87 0.00 0.00 54.58 55.02 1cfy n ASN 76 Cb 0.00 -4.89 0.20 0.00 -1.02 0.00 0.00 39.78 34.07 1cfy n ASN 76 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1cfy h GLU 77 N -2.21 0.00 0.00 3.52 5.08 -1.73 -3.50 114.58 115.74 1cfy h GLU 77 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1cfy h GLU 77 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1cfy h GLU 77 CO 0.51 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 1cfy n GLY 78 N 1.22 0.13 3.91 -3.84 0.00 -1.25 -5.02 105.19 100.34 1cfy n GLY 78 Ca 0.03 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 1cfy n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cfy s LYS 79 N 0.00 2.93 0.10 1.61 1.02 -1.26 -0.90 119.74 123.24 1cfy s LYS 79 Ca 0.00 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.90 1cfy s LYS 79 Cb 0.00 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1cfy s LYS 79 CO 0.00 0.13 -0.14 1.03 -0.92 0.00 0.00 175.35 175.45 1cfy s ARG 80 N -4.05 0.94 0.00 1.68 1.81 0.14 -4.83 118.95 114.65 1cfy s ARG 80 Ca 0.41 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.30 1cfy s ARG 80 Cb -0.07 -0.86 -0.01 0.00 -0.45 0.00 0.00 34.95 33.56 1cfy s ARG 80 CO 0.28 0.17 -0.05 -1.54 -0.68 0.00 0.00 175.30 173.49 1cfy s SER 81 N -2.19 0.53 0.01 0.23 1.04 -1.26 -0.73 113.70 111.32 1cfy s SER 81 Ca 0.05 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.38 1cfy s SER 81 Cb -0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 1cfy s SER 81 CO 0.02 0.02 -0.09 -0.54 0.98 0.00 0.00 173.24 173.64 1cfy s LYS 82 N -0.26 0.66 -0.25 4.02 1.02 0.85 -4.96 119.74 120.83 1cfy s LYS 82 Ca 0.00 -0.47 -0.21 0.00 0.02 0.00 0.00 55.97 55.30 1cfy s LYS 82 Cb -0.03 -0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 1cfy s LYS 82 CO -0.00 0.15 0.68 0.42 -0.92 0.00 0.00 175.35 175.68 1cfy s ILE 83 N -0.57 4.95 -0.08 2.17 1.01 -1.26 -0.21 121.20 127.21 1cfy s ILE 83 Ca -0.00 1.25 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 1cfy s ILE 83 Cb -0.05 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1cfy s ILE 83 CO 0.00 0.00 -0.01 -0.69 0.00 0.00 0.00 174.94 174.24 1cfy s VAL 84 N 2.58 4.17 -0.22 2.92 1.01 -0.20 -0.85 120.40 129.81 1cfy s VAL 84 Ca 0.28 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1cfy s VAL 84 Cb -0.15 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1cfy s VAL 84 CO 0.08 0.59 -0.01 0.12 0.00 0.00 0.00 175.10 175.89 1cfy s PHE 85 N -0.88 3.00 0.01 5.22 5.36 0.09 -0.64 117.98 130.14 1cfy s PHE 85 Ca 0.13 -0.74 0.04 0.00 -0.96 0.00 0.00 56.93 55.41 1cfy s PHE 85 Cb -0.11 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 1cfy s PHE 85 CO 0.02 -0.45 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.16 1cfy s PHE 86 N 1.43 2.77 -0.32 10.12 0.40 -0.55 0.10 117.98 131.92 1cfy s PHE 86 Ca 0.05 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1cfy s PHE 86 Cb -0.14 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 41.90 1cfy s PHE 86 CO -0.01 0.31 0.03 0.99 0.70 0.00 0.00 175.22 177.24 1cfy s THR 87 N -0.94 2.63 -0.39 0.64 2.01 -0.16 -1.46 115.64 117.97 1cfy s THR 87 Ca 0.16 -1.87 -0.16 0.00 0.31 0.00 0.00 61.69 60.12 1cfy s THR 87 Cb -0.11 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.70 1cfy s THR 87 CO 0.06 -0.35 0.40 0.86 -0.69 0.00 0.00 174.62 174.90 1cfy s TRP 88 N 1.09 3.19 -0.40 4.92 -0.11 -0.05 0.54 118.94 128.11 1cfy s TRP 88 Ca 0.01 -0.26 0.02 0.00 1.22 0.00 0.00 56.10 57.10 1cfy s TRP 88 Cb -0.20 -2.80 0.16 0.00 -1.50 0.00 0.00 33.47 29.13 1cfy s TRP 88 CO -0.05 -0.60 0.29 0.45 -4.62 0.00 0.00 176.95 172.42 1cfy s SER 89 N 1.77 2.27 0.63 5.86 0.15 0.11 -1.59 113.70 122.91 1cfy s SER 89 Ca 0.12 -2.73 -0.17 0.00 0.70 0.00 0.00 55.95 53.86 1cfy s SER 89 Cb -0.17 -0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1cfy s SER 89 CO 0.13 -0.23 1.18 -2.16 1.20 0.00 0.00 173.24 173.36 1cfy s PRO 90 N 0.41 2.81 0.31 5.44 0.04 -1.26 -4.21 135.00 138.53 1cfy s PRO 90 Ca 0.26 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1cfy s PRO 90 Cb -0.08 -1.92 0.50 0.00 0.04 0.00 0.00 34.50 33.03 1cfy s PRO 90 CO -0.11 -1.30 1.87 -0.44 0.04 0.00 0.00 177.00 177.06 1cfy h ASP 91 N 0.50 0.68 0.00 6.66 3.32 -1.90 -2.71 116.42 122.97 1cfy h ASP 91 Ca -0.49 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1cfy h ASP 91 Cb 1.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1cfy h ASP 91 CO 0.54 0.66 0.00 0.35 -1.72 0.00 0.00 179.24 179.07 1cfy n THR 92 N -4.30 0.00 -2.94 0.35 -2.24 -1.26 -4.85 114.28 99.04 1cfy n THR 92 Ca 0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 1cfy n THR 92 Cb 0.20 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 1cfy n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfy s ALA 93 N -2.00 3.25 0.29 6.98 0.00 -1.02 -4.75 121.76 124.50 1cfy s ALA 93 Ca 0.36 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1cfy s ALA 93 Cb 0.17 -2.86 -0.14 0.00 0.00 0.00 0.00 23.12 20.29 1cfy s ALA 93 CO 0.28 0.16 1.11 -2.30 0.00 0.00 0.00 175.76 175.01 1cfy n PRO 94 N -0.75 1.55 0.27 0.00 -0.02 -1.26 -4.81 135.00 129.98 1cfy n PRO 94 Ca 0.04 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 1cfy n PRO 94 Cb 0.54 -1.99 0.75 0.00 -0.02 0.00 0.00 33.50 32.77 1cfy n PRO 94 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1cfy h VAL 95 N 2.24 0.39 -0.12 -1.45 3.04 -1.94 -1.66 116.25 116.74 1cfy h VAL 95 Ca -0.42 -0.54 -0.20 0.00 -1.01 0.00 0.00 66.70 64.53 1cfy h VAL 95 Cb 1.32 1.39 0.01 0.00 -2.01 0.00 0.00 31.29 32.00 1cfy h VAL 95 CO 0.63 0.09 -0.71 -0.09 -1.01 0.00 0.00 177.57 176.49 1cfy h ARG 96 N 0.00 0.70 -0.47 4.17 9.65 -2.00 -2.58 114.38 123.85 1cfy h ARG 96 Ca -0.00 -0.59 -0.10 0.00 -1.10 0.00 0.00 59.98 58.20 1cfy h ARG 96 Cb 0.38 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1cfy h ARG 96 CO 0.01 1.20 -0.10 0.77 2.80 0.00 0.00 179.97 184.65 1cfy h SER 97 N 0.38 0.84 -0.36 -3.80 0.02 -1.80 -1.62 113.55 107.21 1cfy h SER 97 Ca -0.05 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1cfy h SER 97 Cb 1.35 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1cfy h SER 97 CO 0.15 0.96 0.17 0.11 -1.14 0.00 0.00 176.83 177.07 1cfy h LYS 98 N 0.76 0.34 -0.65 3.45 1.57 -1.27 -1.11 116.57 119.67 1cfy h LYS 98 Ca 0.13 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1cfy h LYS 98 Cb 0.60 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1cfy h LYS 98 CO 0.04 0.23 0.21 0.52 -0.57 0.00 0.00 179.45 179.87 1cfy h MET 99 N 0.36 1.01 -0.48 3.15 2.86 -1.22 -0.25 114.93 120.35 1cfy h MET 99 Ca 0.15 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1cfy h MET 99 Cb 0.07 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1cfy h MET 99 CO -0.12 0.88 -0.08 -0.24 1.06 0.00 0.00 176.91 178.42 1cfy h VAL 100 N 0.94 1.26 -0.40 -2.22 3.04 -0.98 -1.43 116.25 116.45 1cfy h VAL 100 Ca 0.21 -1.15 -0.13 0.00 -1.01 0.00 0.00 66.70 64.62 1cfy h VAL 100 Cb 0.29 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 1cfy h VAL 100 CO -0.01 0.40 -0.28 1.88 -1.01 0.00 0.00 177.57 178.56 1cfy h TYR 101 N 0.77 0.98 0.00 3.17 -1.99 -0.97 -1.64 116.97 117.29 1cfy h TYR 101 Ca 0.13 -0.25 -0.07 0.00 2.00 0.00 0.00 58.73 60.54 1cfy h TYR 101 Cb 0.57 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1cfy h TYR 101 CO 0.03 1.02 -0.33 0.00 -0.00 0.00 0.00 178.16 178.88 1cfy h ALA 102 N 0.96 1.45 0.00 3.88 0.00 -0.74 -2.03 119.26 122.77 1cfy h ALA 102 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1cfy h ALA 102 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cfy h ALA 102 CO 0.07 0.42 -0.79 0.77 0.00 0.00 0.00 179.25 179.72 1cfy h SER 103 N 0.00 0.00 0.03 0.00 0.02 -1.07 -3.36 113.55 109.18 1cfy h SER 103 Ca -0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1cfy h SER 103 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1cfy h SER 103 CO 0.04 0.06 -1.37 -1.20 -1.14 0.00 0.00 176.83 173.22 1cfy n SER 104 N -2.39 0.60 -0.28 3.07 7.64 -0.64 -4.61 113.62 117.02 1cfy n SER 104 Ca 0.02 -0.58 -0.11 0.00 1.01 0.00 0.00 58.87 59.22 1cfy n SER 104 Cb 0.49 1.35 -0.08 0.00 -1.01 0.00 0.00 64.21 64.97 1cfy n SER 104 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1cfy h LYS 105 N 0.00 -0.18 -0.58 1.43 3.11 -1.52 -0.83 116.57 118.00 1cfy h LYS 105 Ca 0.00 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 57.98 1cfy h LYS 105 Cb 0.70 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.94 1cfy h LYS 105 CO 0.00 -0.12 0.40 -0.44 -2.81 0.00 0.00 179.45 176.48 1cfy h ASP 106 N -0.19 0.23 -0.41 4.20 5.19 -1.84 0.13 116.42 123.73 1cfy h ASP 106 Ca 0.15 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1cfy h ASP 106 Cb 0.52 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1cfy h ASP 106 CO -0.77 0.13 0.24 0.00 -3.12 0.00 0.00 179.24 175.72 1cfy h ALA 107 N 1.71 0.52 0.14 3.45 0.00 -1.44 0.21 119.26 123.85 1cfy h ALA 107 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1cfy h ALA 107 Cb 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cfy h ALA 107 CO -0.06 -0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.29 1cfy h LEU 108 N 0.49 -0.15 -0.89 0.00 6.46 -1.20 -3.28 115.31 116.75 1cfy h LEU 108 Ca 0.16 -0.35 0.14 0.00 -0.12 0.00 0.00 57.88 57.71 1cfy h LEU 108 Cb 0.01 0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 39.89 1cfy h LEU 108 CO -0.08 0.44 0.49 -0.09 -0.62 0.00 0.00 178.44 178.59 1cfy h ARG 109 N -0.93 0.70 0.00 1.25 9.65 -0.75 -1.67 114.38 122.63 1cfy h ARG 109 Ca -0.02 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.77 1cfy h ARG 109 Cb 0.50 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1cfy h ARG 109 CO 0.03 0.46 -0.24 0.00 2.80 0.00 0.00 179.97 183.02 1cfy h ARG 110 N 0.72 0.00 0.00 0.20 3.08 -0.71 -3.12 114.38 114.55 1cfy h ARG 110 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 1cfy h ARG 110 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1cfy h ARG 110 CO -0.33 0.24 -0.38 0.00 -1.07 0.00 0.00 179.97 178.42 1cfy n ALA 111 N -2.29 2.68 -2.50 0.04 0.00 -0.64 -4.76 120.51 113.05 1cfy n ALA 111 Ca -0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1cfy n ALA 111 Cb 0.37 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1cfy n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cfy s LEU 112 N -4.33 4.76 -0.18 0.00 1.43 -1.14 -5.05 118.68 114.18 1cfy s LEU 112 Ca 0.08 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1cfy s LEU 112 Cb 0.13 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1cfy s LEU 112 CO 0.67 -0.59 0.27 0.21 0.23 0.00 0.00 176.35 177.15 1cfy s ASN 113 N 1.83 6.38 0.00 2.29 3.84 -1.26 -4.26 114.94 123.76 1cfy s ASN 113 Ca 0.14 0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.65 1cfy s ASN 113 Cb -0.17 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 1cfy s ASN 113 CO 0.14 0.08 0.00 0.61 -2.79 0.00 0.00 177.10 175.14 1cfy n GLY 114 N 3.55 1.06 3.69 1.21 0.00 -1.26 -5.09 105.19 108.36 1cfy n GLY 114 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1cfy n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cfy s VAL 115 N -2.00 3.75 -0.20 1.61 1.01 -1.26 -4.56 120.40 118.75 1cfy s VAL 115 Ca 0.00 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.94 1cfy s VAL 115 Cb 0.00 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1cfy s VAL 115 CO 0.00 0.01 0.06 -1.20 0.00 0.00 0.00 175.10 173.96 1cfy n SER 116 N 5.20 1.86 -4.72 3.32 7.64 -0.03 -4.99 113.62 121.90 1cfy n SER 116 Ca 0.13 0.47 -0.25 0.00 1.01 0.00 0.00 58.87 60.23 1cfy n SER 116 Cb 0.44 -0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1cfy n SER 116 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1cfy s THR 117 N -2.36 3.94 -0.09 0.44 2.01 -1.04 -5.04 115.64 113.52 1cfy s THR 117 Ca -0.26 -1.48 -0.00 0.00 0.31 0.00 0.00 61.69 60.26 1cfy s THR 117 Cb 0.06 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.54 1cfy s THR 117 CO 0.49 -0.23 -0.05 -1.81 -0.69 0.00 0.00 174.62 172.33 1cfy s ASP 118 N -3.34 1.80 -0.09 3.53 1.11 -1.26 -0.73 116.67 117.69 1cfy s ASP 118 Ca 0.30 -0.21 0.04 0.00 0.18 0.00 0.00 52.55 52.86 1cfy s ASP 118 Cb -0.08 -0.67 -0.01 0.00 1.07 0.00 0.00 42.92 43.23 1cfy s ASP 118 CO 0.21 -0.12 -0.22 -0.69 1.18 0.00 0.00 175.17 175.53 1cfy s VAL 119 N 1.58 2.26 -0.51 -1.27 1.01 0.11 -4.96 120.40 118.62 1cfy s VAL 119 Ca 0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1cfy s VAL 119 Cb -0.13 -1.86 0.13 0.00 0.00 0.00 0.00 36.38 34.52 1cfy s VAL 119 CO -0.05 0.56 0.39 -1.58 0.00 0.00 0.00 175.10 174.42 1cfy s GLN 120 N 0.10 2.61 -0.21 2.72 -0.44 -1.26 -0.99 119.66 122.19 1cfy s GLN 120 Ca -0.10 -1.85 -0.22 0.00 -2.50 0.00 0.00 55.36 50.69 1cfy s GLN 120 Cb -0.16 -3.99 -0.02 0.00 -1.64 0.00 0.00 33.01 27.20 1cfy s GLN 120 CO 0.06 -1.22 0.69 0.20 0.50 0.00 0.00 175.29 175.52 1cfy s GLY 121 N 2.64 1.98 -0.01 2.59 0.00 0.19 -4.86 107.32 109.85 1cfy s GLY 121 Ca 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1cfy s GLY 121 CO -0.01 1.46 0.05 2.41 0.00 0.00 0.00 173.10 177.00 1cfy n THR 122 N 4.86 0.05 -3.76 0.90 -1.04 -1.26 0.06 114.28 114.09 1cfy n THR 122 Ca 0.01 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 1cfy n THR 122 Cb 0.49 0.08 -0.05 0.00 -1.82 0.00 0.00 70.33 69.04 1cfy n THR 122 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cfy s ASP 123 N -2.58 -0.18 0.35 8.00 2.15 -1.26 -3.47 116.67 119.67 1cfy s ASP 123 Ca -0.01 -0.53 0.14 0.00 0.43 0.00 0.00 52.55 52.58 1cfy s ASP 123 Cb 0.02 0.52 1.00 0.00 -0.30 0.00 0.00 42.92 44.15 1cfy s ASP 123 CO 0.11 -0.97 1.73 0.15 -0.17 0.00 0.00 175.17 176.02 1cfy h PHE 124 N 2.32 0.88 -0.32 -5.34 3.57 -1.98 -1.86 116.94 114.21 1cfy h PHE 124 Ca -0.31 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 1cfy h PHE 124 Cb 1.25 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1cfy h PHE 124 CO 0.36 0.02 0.04 0.66 -2.23 0.00 0.00 178.31 177.16 1cfy h SER 125 N 0.47 0.43 0.92 0.41 4.64 -1.98 -1.85 113.55 116.60 1cfy h SER 125 Ca 0.65 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1cfy h SER 125 Cb 1.42 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1cfy h SER 125 CO -0.44 0.47 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 1cfy n GLU 126 N -4.33 0.06 0.00 4.77 1.02 -0.70 -3.60 120.64 117.86 1cfy n GLU 126 Ca 0.01 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1cfy n GLU 126 Cb 0.20 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1cfy n GLU 126 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1cfy n VAL 127 N -1.68 0.45 -0.88 2.62 0.24 -0.82 -4.70 118.33 113.56 1cfy n VAL 127 Ca 0.05 -0.64 -0.30 0.00 -2.04 0.00 0.00 64.34 61.42 1cfy n VAL 127 Cb 0.30 0.85 0.18 0.00 -1.47 0.00 0.00 33.84 33.70 1cfy n VAL 127 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cfy s SER 128 N -0.45 2.57 0.20 -1.34 1.04 -0.76 -4.76 113.70 110.20 1cfy s SER 128 Ca 0.00 1.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.99 1cfy s SER 128 Cb 0.00 -2.31 0.19 0.00 0.10 0.00 0.00 66.02 64.00 1cfy s SER 128 CO 0.00 -3.23 1.82 0.22 0.98 0.00 0.00 173.24 173.03 1cfy h TYR 129 N -1.96 0.68 -0.17 5.02 3.20 -1.93 -2.10 116.97 119.72 1cfy h TYR 129 Ca -0.52 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.25 1cfy h TYR 129 Cb 1.29 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1cfy h TYR 129 CO 0.40 0.36 -0.44 -0.44 -1.64 0.00 0.00 178.16 176.39 1cfy h ASP 130 N 0.70 0.45 -0.13 -2.11 3.32 -1.96 0.50 116.42 117.19 1cfy h ASP 130 Ca 0.27 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 1cfy h ASP 130 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1cfy h ASP 130 CO -0.14 0.83 -0.38 -1.28 -1.72 0.00 0.00 179.24 176.55 1cfy h SER 131 N 0.34 0.69 0.18 6.45 0.87 -1.77 -1.58 113.55 118.74 1cfy h SER 131 Ca 0.03 -0.30 -0.30 0.00 -1.23 0.00 0.00 61.79 59.98 1cfy h SER 131 Cb 0.91 -0.19 0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1cfy h SER 131 CO 0.08 0.99 -1.30 0.58 -0.53 0.00 0.00 176.83 176.65 1cfy h VAL 132 N 0.54 1.31 -0.43 2.23 2.07 -1.22 -2.75 116.25 118.00 1cfy h VAL 132 Ca 0.05 -2.56 0.04 0.00 0.82 0.00 0.00 66.70 65.05 1cfy h VAL 132 Cb 0.89 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 1cfy h VAL 132 CO 0.08 0.77 0.29 0.25 0.02 0.00 0.00 177.57 178.98 1cfy h LEU 133 N 0.15 0.35 -0.13 2.57 5.85 0.02 -0.92 115.31 123.20 1cfy h LEU 133 Ca -0.21 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1cfy h LEU 133 Cb 1.99 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.95 1cfy h LEU 133 CO 0.25 0.24 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.23 1cfy h GLU 134 N 0.40 0.41 0.00 1.25 4.22 -1.28 -2.12 114.58 117.47 1cfy h GLU 134 Ca 0.18 -0.27 -0.07 0.00 0.08 0.00 0.00 59.36 59.28 1cfy h GLU 134 Cb 0.21 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1cfy h GLU 134 CO -0.04 0.88 -0.32 0.00 -2.18 0.00 0.00 179.01 177.34 1cfy h ARG 135 N 0.01 0.00 0.21 1.92 3.08 -1.04 -1.38 114.38 117.17 1cfy h ARG 135 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1cfy h ARG 135 Cb 0.87 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.94 1cfy h ARG 135 CO 0.06 0.32 -1.62 0.28 -1.07 0.00 0.00 179.97 177.94 1cfy h VAL 136 N 0.00 1.07 0.01 2.04 2.07 -1.22 -3.40 116.25 116.82 1cfy h VAL 136 Ca -0.00 -2.57 -0.34 0.00 0.82 0.00 0.00 66.70 64.61 1cfy h VAL 136 Cb 0.63 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 1cfy h VAL 136 CO 0.04 0.83 -2.13 -1.54 0.02 0.00 0.00 177.57 174.80 1cfy n SER 137 N -3.67 0.59 -0.31 0.57 3.41 -0.80 -5.08 113.62 108.32 1cfy n SER 137 Ca -0.22 0.15 0.04 0.00 -0.26 0.00 0.00 58.87 58.58 1cfy n SER 137 Cb 1.07 0.40 0.03 0.00 -0.26 0.00 0.00 64.21 65.45 1cfy n SER 137 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42