#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n LYS 2 N 0.00 0.65 -3.62 2.12 0.00 -1.26 -5.04 118.16 111.02 3cf5 n LYS 2 Ca 0.00 -1.59 -0.40 0.00 -0.00 0.00 0.00 58.31 56.33 3cf5 n LYS 2 Cb 0.00 1.80 -0.09 0.00 -0.00 0.00 0.00 35.03 36.74 3cf5 n LYS 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3cf5 s LYS 3 N -2.22 2.38 -0.22 -1.58 2.47 -1.26 -2.85 119.74 116.46 3cf5 s LYS 3 Ca 0.13 -1.73 -0.12 0.00 -1.56 0.00 0.00 55.97 52.69 3cf5 s LYS 3 Cb -0.02 -3.82 0.07 0.00 -1.46 0.00 0.00 37.83 32.60 3cf5 s LYS 3 CO 0.10 -1.13 0.53 0.08 0.16 0.00 0.00 175.35 175.10 3cf5 s VAL 4 N 1.32 -0.04 0.00 4.02 1.01 -1.26 -5.08 120.40 120.37 3cf5 s VAL 4 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3cf5 s VAL 4 Cb -0.25 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3cf5 s VAL 4 CO -0.01 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.11 3cf5 n ALA 5 N 4.33 0.00 0.00 5.51 0.00 -1.11 -3.93 120.51 125.31 3cf5 n ALA 5 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3cf5 n ALA 5 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3cf5 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 6 N 2.83 0.44 3.07 0.00 0.00 -1.04 -4.94 105.19 105.54 3cf5 n GLY 6 Ca 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 3cf5 n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cf5 s ILE 7 N -0.38 0.20 -0.27 -0.61 1.01 -1.26 -1.52 121.20 118.37 3cf5 s ILE 7 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 60.65 58.87 3cf5 s ILE 7 Cb 0.00 -1.31 0.10 0.00 0.01 0.00 0.00 42.46 41.26 3cf5 s ILE 7 CO 0.00 -0.91 0.63 -0.69 0.00 0.00 0.00 174.94 173.96 3cf5 s VAL 8 N -3.51 -0.46 0.64 2.92 1.01 -1.25 -4.97 120.40 114.79 3cf5 s VAL 8 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3cf5 s VAL 8 Cb 0.05 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.57 3cf5 s VAL 8 CO -0.09 0.01 0.90 -1.59 0.00 0.00 0.00 175.10 174.33 3cf5 s LYS 9 N 2.21 2.11 0.02 2.72 -2.85 -1.26 -2.36 119.74 120.32 3cf5 s LYS 9 Ca -0.08 -0.87 -0.02 0.00 -1.00 0.00 0.00 55.97 54.01 3cf5 s LYS 9 Cb -0.09 -2.38 0.01 0.00 -2.06 0.00 0.00 37.83 33.31 3cf5 s LYS 9 CO -0.18 -1.10 0.07 1.47 0.10 0.00 0.00 175.35 175.71 3cf5 n LEU 10 N -2.63 0.00 -2.83 2.77 -0.00 -1.19 -4.92 117.00 108.20 3cf5 n LEU 10 Ca 0.11 -0.12 -0.11 0.00 -0.00 0.00 0.00 56.01 55.89 3cf5 n LEU 10 Cb 0.60 0.22 0.06 0.00 -0.00 0.00 0.00 43.42 44.31 3cf5 n LEU 10 CO 0.45 -0.04 0.22 1.67 -0.00 0.00 0.00 177.39 179.68 3cf5 n GLN 11 N -0.05 1.03 -2.62 1.47 7.27 -1.26 -3.13 117.38 120.08 3cf5 n GLN 11 Ca -0.00 -2.27 -0.41 0.00 0.07 0.00 0.00 57.00 54.39 3cf5 n GLN 11 Cb 0.04 -1.10 -0.04 0.00 2.41 0.00 0.00 30.24 31.55 3cf5 n GLN 11 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3cf5 s LEU 12 N -2.40 4.49 1.05 1.69 1.43 -1.25 -4.86 118.68 118.84 3cf5 s LEU 12 Ca 0.26 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 55.13 3cf5 s LEU 12 Cb 0.32 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.99 3cf5 s LEU 12 CO -0.06 -0.14 -0.02 -2.65 0.23 0.00 0.00 176.35 173.71 3cf5 n PRO 13 N 2.61 -0.98 0.00 1.29 -0.02 -1.26 -3.76 135.00 132.88 3cf5 n PRO 13 Ca 0.03 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 3cf5 n PRO 13 Cb 0.48 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3cf5 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cf5 n ALA 14 N -3.99 0.00 -0.38 3.55 0.00 0.97 -4.34 120.51 116.32 3cf5 n ALA 14 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 3cf5 n ALA 14 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3cf5 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 15 N 1.78 1.90 2.88 0.00 0.00 -1.26 -4.70 105.19 105.79 3cf5 n GLY 15 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 3cf5 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 s LYS 16 N 2.70 0.03 0.48 1.61 1.02 -1.26 -4.94 119.74 119.38 3cf5 s LYS 16 Ca 0.24 0.15 -0.16 0.00 0.02 0.00 0.00 55.97 56.21 3cf5 s LYS 16 Cb 0.10 -0.08 -0.08 0.00 -0.52 0.00 0.00 37.83 37.25 3cf5 s LYS 16 CO -0.00 -0.08 0.94 0.00 -0.92 0.00 0.00 175.35 175.29 3cf5 s ALA 17 N 0.50 3.12 -0.23 5.17 0.00 -1.26 -4.79 121.76 124.27 3cf5 s ALA 17 Ca -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 3cf5 s ALA 17 Cb -0.06 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3cf5 s ALA 17 CO -0.02 -0.14 0.06 0.95 0.00 0.00 0.00 175.76 176.61 3cf5 s THR 18 N -2.52 4.38 -0.10 0.00 -4.23 -1.26 -5.03 115.64 106.88 3cf5 s THR 18 Ca 0.58 -0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 60.93 3cf5 s THR 18 Cb -0.10 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.72 3cf5 s THR 18 CO 0.29 0.37 -0.00 1.55 -0.54 0.00 0.00 174.62 176.29 3cf5 h PRO 19 N 7.82 0.00 0.00 3.99 0.13 -1.99 -3.46 132.00 138.50 3cf5 h PRO 19 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3cf5 h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3cf5 h PRO 19 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 3cf5 n ALA 20 N -2.76 0.00 0.14 -0.56 0.00 -1.26 -4.53 120.51 111.53 3cf5 n ALA 20 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3cf5 n ALA 20 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3cf5 n ALA 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3cf5 h PRO 21 N 0.00 0.00 0.06 0.00 0.13 -2.00 -3.36 132.00 126.83 3cf5 h PRO 21 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 3cf5 h PRO 21 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3cf5 h PRO 21 CO 0.00 0.11 -1.66 -2.30 -0.23 0.00 0.00 178.00 173.92 3cf5 n PRO 22 N -2.93 0.66 0.00 1.56 -0.02 -1.26 -4.97 135.00 128.04 3cf5 n PRO 22 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3cf5 n PRO 22 Cb 0.61 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3cf5 n PRO 22 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3cf5 n VAL 23 N -3.96 0.00 0.00 -1.45 0.31 -1.26 -4.73 118.33 107.24 3cf5 n VAL 23 Ca -0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3cf5 n VAL 23 Cb 0.87 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 3cf5 n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cf5 n GLY 24 N 4.56 0.54 0.08 2.92 0.00 -1.26 0.27 105.19 112.30 3cf5 n GLY 24 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 3cf5 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cf5 h PRO 25 N 0.00 0.05 0.00 1.61 0.13 -1.94 -2.82 132.00 129.03 3cf5 h PRO 25 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3cf5 h PRO 25 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 3cf5 h PRO 25 CO 0.00 1.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.81 3cf5 n ALA 26 N -2.66 0.00 -0.18 -0.56 0.00 0.76 0.21 120.51 118.08 3cf5 n ALA 26 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3cf5 n ALA 26 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3cf5 n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 27 N -0.65 0.26 0.09 0.00 4.32 -1.26 -4.69 117.00 115.08 3cf5 n LEU 27 Ca 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 3cf5 n LEU 27 Cb 0.00 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.11 3cf5 n LEU 27 CO 0.00 0.07 0.81 1.23 -1.22 0.00 0.00 177.39 178.27 3cf5 h GLY 28 N 0.00 0.32 -2.40 -0.72 0.00 0.04 -2.81 103.07 97.49 3cf5 h GLY 28 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3cf5 h GLY 28 CO 0.00 0.21 0.00 -1.06 0.00 0.00 0.00 176.54 175.69 3cf5 n GLN 29 N -4.19 0.77 0.00 4.80 6.02 0.38 -2.74 117.38 122.43 3cf5 n GLN 29 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3cf5 n GLN 29 Cb 0.34 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.49 3cf5 n GLN 29 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3cf5 n TYR 30 N 0.94 0.00 -0.96 1.08 4.01 -1.06 -5.04 117.16 116.12 3cf5 n TYR 30 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3cf5 n TYR 30 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 3cf5 n TYR 30 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cf5 n GLY 31 N 0.00 0.78 2.97 2.72 0.00 -1.11 -4.80 105.19 105.76 3cf5 n GLY 31 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 3cf5 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 s ALA 32 N -2.46 -0.38 -0.10 4.61 0.00 -1.25 -3.94 121.76 118.24 3cf5 s ALA 32 Ca 0.00 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.50 3cf5 s ALA 32 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3cf5 s ALA 32 CO 0.00 -0.21 0.88 -0.80 0.00 0.00 0.00 175.76 175.64 3cf5 s ASN 33 N 1.30 7.12 -0.06 0.00 0.01 -1.26 -4.54 114.94 117.51 3cf5 s ASN 33 Ca -0.08 1.36 -0.16 0.00 -0.71 0.00 0.00 52.86 53.27 3cf5 s ASN 33 Cb -0.11 -2.49 -0.30 0.00 0.41 0.00 0.00 41.25 38.75 3cf5 s ASN 33 CO -0.07 -0.33 0.71 0.40 -1.51 0.00 0.00 177.10 176.30 3cf5 h ILE 34 N 5.01 1.13 -0.51 0.60 2.04 -1.97 -3.33 117.51 120.48 3cf5 h ILE 34 Ca -0.34 -2.50 0.10 0.00 1.00 0.00 0.00 64.86 63.12 3cf5 h ILE 34 Cb 1.16 2.87 -0.10 0.00 -0.74 0.00 0.00 36.82 40.02 3cf5 h ILE 34 CO 0.81 0.76 -0.11 0.24 0.00 0.00 0.00 178.15 179.86 3cf5 h MET 35 N -0.14 0.01 -0.67 2.37 2.86 -1.96 1.14 114.93 118.55 3cf5 h MET 35 Ca -0.28 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3cf5 h MET 35 Cb 1.89 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.55 3cf5 h MET 35 CO 0.14 0.01 0.00 0.39 1.06 0.00 0.00 176.91 178.51 3cf5 n GLU 36 N -5.35 0.68 0.00 1.72 1.02 -1.25 -2.12 120.64 115.34 3cf5 n GLU 36 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3cf5 n GLU 36 Cb 0.27 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3cf5 n GLU 36 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cf5 n PHE 37 N 0.15 0.00 0.31 -0.32 7.35 0.31 -4.30 117.46 120.97 3cf5 n PHE 37 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 3cf5 n PHE 37 Cb 0.17 0.03 0.86 0.00 0.35 0.00 0.00 39.48 40.89 3cf5 n PHE 37 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3cf5 h THR 38 N 0.00 0.00 0.00 -2.13 2.02 0.14 -1.74 112.91 111.20 3cf5 h THR 38 Ca 0.00 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.96 3cf5 h THR 38 Cb 0.43 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3cf5 h THR 38 CO 0.00 0.00 -1.79 0.29 0.37 0.00 0.00 175.52 174.39 3cf5 n LYS 39 N -2.80 0.32 0.37 6.66 5.02 -1.20 -4.00 118.16 122.52 3cf5 n LYS 39 Ca -0.02 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.20 3cf5 n LYS 39 Cb 0.26 -1.15 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 3cf5 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cf5 h ALA 40 N -0.25 -0.89 0.76 7.82 0.00 -1.70 -1.76 119.26 123.24 3cf5 h ALA 40 Ca -0.33 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3cf5 h ALA 40 Cb 1.40 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.54 3cf5 h ALA 40 CO -0.13 -1.00 -0.36 0.35 0.00 0.00 0.00 179.25 178.10 3cf5 h PHE 41 N -0.89 -0.94 0.00 0.00 3.57 -1.61 -2.97 116.94 114.09 3cf5 h PHE 41 Ca -0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3cf5 h PHE 41 Cb 0.68 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3cf5 h PHE 41 CO -0.03 -0.59 0.00 0.09 -2.23 0.00 0.00 178.31 175.56 3cf5 n ASN 42 N -5.28 0.00 -0.10 0.41 3.02 -1.24 -1.64 115.26 110.43 3cf5 n ASN 42 Ca -0.13 -0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.03 3cf5 n ASN 42 Cb 0.40 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 3cf5 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf5 h ALA 43 N 1.50 0.23 0.00 5.41 0.00 -1.15 -3.36 119.26 121.89 3cf5 h ALA 43 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3cf5 h ALA 43 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3cf5 h ALA 43 CO 0.00 0.67 0.00 1.04 0.00 0.00 0.00 179.25 180.96 3cf5 n GLN 44 N -4.46 0.06 0.00 0.00 6.02 -0.65 -2.26 117.38 116.09 3cf5 n GLN 44 Ca -0.29 0.05 0.09 0.00 -0.01 0.00 0.00 57.00 56.84 3cf5 n GLN 44 Cb 0.63 -1.57 0.45 0.00 1.02 0.00 0.00 30.24 30.77 3cf5 n GLN 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3cf5 n THR 45 N -1.68 0.47 0.08 5.09 -2.24 -0.83 -3.06 114.28 112.11 3cf5 n THR 45 Ca 0.07 0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3cf5 n THR 45 Cb 0.36 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.69 3cf5 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cf5 h ALA 46 N 2.84 -0.26 -0.95 6.98 0.00 -1.63 0.57 119.26 126.81 3cf5 h ALA 46 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.81 3cf5 h ALA 46 Cb 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3cf5 h ALA 46 CO 0.00 -0.39 0.58 -0.44 0.00 0.00 0.00 179.25 179.00 3cf5 h ASP 47 N -0.78 0.84 -0.91 0.00 3.32 -1.77 -0.46 116.42 116.67 3cf5 h ASP 47 Ca -0.03 0.05 -0.59 0.00 0.02 0.00 0.00 57.03 56.48 3cf5 h ASP 47 Cb 0.51 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 39.64 3cf5 h ASP 47 CO 0.04 0.45 0.49 0.29 -1.72 0.00 0.00 179.24 178.80 3cf5 n LYS 48 N -4.66 2.70 -1.86 3.56 5.02 -1.19 -5.02 118.16 116.71 3cf5 n LYS 48 Ca 0.17 -3.38 -0.41 0.00 -2.02 0.00 0.00 58.31 52.67 3cf5 n LYS 48 Cb 0.33 -2.23 -0.01 0.00 -0.02 0.00 0.00 35.03 33.09 3cf5 n LYS 48 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3cf5 s GLY 49 N -2.09 2.47 0.00 0.72 0.00 0.20 -4.40 107.32 104.22 3cf5 s GLY 49 Ca 0.60 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.82 3cf5 s GLY 49 CO 0.02 2.36 0.00 1.22 0.00 0.00 0.00 173.10 176.70 3cf5 n ASP 50 N 1.58 -0.75 0.00 1.64 8.00 -1.26 -4.95 116.55 120.81 3cf5 n ASP 50 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3cf5 n ASP 50 Cb 0.39 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3cf5 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cf5 n ALA 51 N -0.22 0.00 -3.74 2.24 0.00 -1.26 -4.91 120.51 112.63 3cf5 n ALA 51 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3cf5 n ALA 51 Cb 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.35 3cf5 n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cf5 s ILE 52 N -2.61 1.49 0.50 0.00 1.01 -1.26 0.32 121.20 120.65 3cf5 s ILE 52 Ca 0.00 -2.57 -0.17 0.00 0.00 0.00 0.00 60.65 57.92 3cf5 s ILE 52 Cb 0.00 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 3cf5 s ILE 52 CO 0.00 -0.88 0.97 -0.63 0.00 0.00 0.00 174.94 174.41 3cf5 s ILE 53 N 0.36 4.54 -0.02 2.92 1.01 -1.25 -3.56 121.20 125.20 3cf5 s ILE 53 Ca 0.17 1.21 -0.20 0.00 0.00 0.00 0.00 60.65 61.83 3cf5 s ILE 53 Cb -0.24 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 3cf5 s ILE 53 CO -0.00 -0.65 0.56 -2.16 0.00 0.00 0.00 174.94 172.68 3cf5 s PRO 54 N -3.99 4.28 -0.14 2.79 0.04 -1.25 -3.89 135.00 132.83 3cf5 s PRO 54 Ca 0.59 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 3cf5 s PRO 54 Cb -0.10 -3.34 0.05 0.00 0.04 0.00 0.00 34.50 31.15 3cf5 s PRO 54 CO 0.30 0.37 0.04 0.08 0.04 0.00 0.00 177.00 177.83 3cf5 s VAL 55 N -0.17 0.29 0.77 -0.36 1.01 -1.18 -2.03 120.40 118.73 3cf5 s VAL 55 Ca 0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3cf5 s VAL 55 Cb -0.18 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.56 3cf5 s VAL 55 CO 0.16 -0.05 1.08 -1.61 0.00 0.00 0.00 175.10 174.68 3cf5 s GLU 56 N 1.98 2.27 0.27 2.72 2.02 -1.04 -3.20 118.70 123.72 3cf5 s GLU 56 Ca 0.02 0.92 0.02 0.00 0.02 0.00 0.00 54.97 55.95 3cf5 s GLU 56 Cb -0.15 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 3cf5 s GLU 56 CO -0.07 -1.56 0.12 0.42 0.02 0.00 0.00 175.26 174.19 3cf5 s ILE 57 N -3.01 0.43 -0.28 -1.63 1.01 -1.00 -2.53 121.20 114.20 3cf5 s ILE 57 Ca 0.60 -2.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.21 3cf5 s ILE 57 Cb -0.16 -2.58 0.15 0.00 0.01 0.00 0.00 42.46 39.88 3cf5 s ILE 57 CO 0.55 0.00 0.56 -0.89 0.00 0.00 0.00 174.94 175.16 3cf5 s THR 58 N -3.75 -0.89 0.04 2.92 2.01 -1.22 -3.89 115.64 110.85 3cf5 s THR 58 Ca 0.37 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.28 3cf5 s THR 58 Cb 0.07 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.60 3cf5 s THR 58 CO 0.15 -0.01 0.37 -0.63 -0.69 0.00 0.00 174.62 173.81 3cf5 s ILE 59 N 2.79 5.12 0.00 1.82 1.01 -0.57 -2.23 121.20 129.14 3cf5 s ILE 59 Ca 0.08 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.26 3cf5 s ILE 59 Cb -0.14 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3cf5 s ILE 59 CO -0.18 0.41 0.00 -1.22 0.00 0.00 0.00 174.94 173.94 3cf5 n TYR 60 N 1.27 0.00 -3.12 3.97 4.01 -1.26 -2.50 117.16 119.53 3cf5 n TYR 60 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3cf5 n TYR 60 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3cf5 n TYR 60 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cf5 n ALA 61 N -2.46 0.00 -0.77 -0.72 0.00 -1.25 -2.75 120.51 112.56 3cf5 n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cf5 n ASP 62 N 2.76 0.00 -1.43 0.00 8.00 -1.13 -0.50 116.55 124.24 3cf5 n ASP 62 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 3cf5 n ASP 62 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3cf5 n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cf5 n ARG 63 N 0.00 0.03 -3.92 -1.24 3.00 -1.26 -3.08 116.66 110.20 3cf5 n ARG 63 Ca 0.00 -1.98 -0.32 0.00 -0.01 0.00 0.00 57.85 55.54 3cf5 n ARG 63 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 32.46 32.36 3cf5 n ARG 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3cf5 s SER 64 N -1.98 6.34 0.00 0.55 0.01 0.34 -4.76 113.70 114.21 3cf5 s SER 64 Ca 0.32 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.89 3cf5 s SER 64 Cb 0.37 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.63 3cf5 s SER 64 CO -0.16 0.23 0.00 2.22 0.41 0.00 0.00 173.24 175.94 3cf5 n PHE 65 N 0.68 0.00 -4.19 2.43 1.16 -1.26 -4.25 117.46 112.02 3cf5 n PHE 65 Ca -0.09 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.38 3cf5 n PHE 65 Cb 0.52 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.37 3cf5 n PHE 65 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3cf5 n THR 66 N -0.15 0.00 -3.61 1.97 -2.24 -0.95 -4.96 114.28 104.33 3cf5 n THR 66 Ca 0.00 -0.85 -0.07 0.00 -2.27 0.00 0.00 64.05 60.86 3cf5 n THR 66 Cb 0.00 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 3cf5 n THR 66 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3cf5 s PHE 67 N -1.57 -0.25 -0.07 4.78 -0.12 -1.26 -3.45 117.98 116.04 3cf5 s PHE 67 Ca 0.01 0.48 -0.00 0.00 -0.05 0.00 0.00 56.93 57.37 3cf5 s PHE 67 Cb -0.00 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.87 3cf5 s PHE 67 CO 0.01 -0.20 -0.04 0.42 -0.05 0.00 0.00 175.22 175.36 3cf5 s ILE 68 N -0.78 0.63 0.37 -4.49 1.01 -1.05 -5.00 121.20 111.90 3cf5 s ILE 68 Ca 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3cf5 s ILE 68 Cb -0.02 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 3cf5 s ILE 68 CO -0.04 0.28 0.68 -0.89 0.00 0.00 0.00 174.94 174.97 3cf5 s THR 69 N 1.45 4.91 0.00 2.92 2.01 -1.26 -2.51 115.64 123.16 3cf5 s THR 69 Ca -0.02 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3cf5 s THR 69 Cb -0.13 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.62 3cf5 s THR 69 CO -0.03 -0.51 0.00 0.29 -0.69 0.00 0.00 174.62 173.68 3cf5 n LYS 70 N -1.36 2.36 -3.27 4.92 5.02 -0.86 -5.00 118.16 119.97 3cf5 n LYS 70 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 3cf5 n LYS 70 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.49 3cf5 n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3cf5 s THR 71 N 1.86 4.85 0.88 -0.18 -4.23 -1.26 -4.75 115.64 112.81 3cf5 s THR 71 Ca 0.00 1.18 -0.14 0.00 -1.18 0.00 0.00 61.69 61.55 3cf5 s THR 71 Cb 0.00 -3.89 0.20 0.00 1.34 0.00 0.00 72.50 70.15 3cf5 s THR 71 CO 0.00 0.49 1.20 -0.81 -0.54 0.00 0.00 174.62 174.96 3cf5 n PRO 72 N 2.20 -1.13 -2.15 3.99 -0.04 -1.26 -3.90 135.00 132.71 3cf5 n PRO 72 Ca -0.09 -1.90 -0.42 0.00 -0.04 0.00 0.00 63.50 61.05 3cf5 n PRO 72 Cb 0.51 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 3cf5 n PRO 72 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3cf5 s PRO 73 N -5.61 4.26 -0.17 0.54 0.02 -1.23 -4.90 135.00 127.90 3cf5 s PRO 73 Ca 0.68 2.05 0.16 0.00 0.02 0.00 0.00 61.00 63.91 3cf5 s PRO 73 Cb -0.02 -3.62 0.66 0.00 0.02 0.00 0.00 34.50 31.55 3cf5 s PRO 73 CO 0.48 -0.63 1.58 -1.33 -0.33 0.00 0.00 177.00 176.76 3cf5 n MET 74 N 5.60 3.83 0.02 5.54 2.81 -1.26 -4.09 117.12 129.57 3cf5 n MET 74 Ca 0.14 -2.91 -0.10 0.00 -1.81 0.00 0.00 57.70 53.02 3cf5 n MET 74 Cb 0.43 -1.97 -0.13 0.00 -0.71 0.00 0.00 33.22 30.84 3cf5 n MET 74 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3cf5 h SER 75 N 3.15 0.09 0.40 7.83 0.02 -1.99 -3.28 113.55 119.76 3cf5 h SER 75 Ca 0.00 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3cf5 h SER 75 Cb 1.59 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3cf5 h SER 75 CO 0.31 1.12 -0.19 0.22 -1.14 0.00 0.00 176.83 177.14 3cf5 h TYR 76 N 0.02 -0.50 -0.17 3.45 3.20 -1.97 -1.93 116.97 119.06 3cf5 h TYR 76 Ca -0.20 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.71 3cf5 h TYR 76 Cb 1.94 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.37 3cf5 h TYR 76 CO 0.01 -0.31 0.15 -0.07 -1.64 0.00 0.00 178.16 176.30 3cf5 h LEU 77 N -0.58 0.00 -0.06 2.82 3.38 -1.81 -1.15 115.31 117.92 3cf5 h LEU 77 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3cf5 h LEU 77 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3cf5 h LEU 77 CO 0.09 0.00 -0.18 0.40 0.09 0.00 0.00 178.44 178.84 3cf5 h ILE 78 N 0.00 1.44 -0.57 1.22 2.04 -1.61 -0.95 117.51 119.08 3cf5 h ILE 78 Ca 0.08 -1.57 0.09 0.00 1.00 0.00 0.00 64.86 64.46 3cf5 h ILE 78 Cb 0.37 2.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 3cf5 h ILE 78 CO -0.00 0.44 0.18 0.03 0.00 0.00 0.00 178.15 178.80 3cf5 h ARG 79 N -0.29 0.34 0.00 2.37 3.08 -0.64 2.38 114.38 121.61 3cf5 h ARG 79 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3cf5 h ARG 79 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3cf5 h ARG 79 CO 0.04 0.23 0.00 1.17 -1.07 0.00 0.00 179.97 180.33 3cf5 n LYS 80 N -5.03 0.05 -1.44 0.04 4.81 -0.50 -0.79 118.16 115.30 3cf5 n LYS 80 Ca 0.07 0.44 -0.28 0.00 -0.87 0.00 0.00 58.31 57.67 3cf5 n LYS 80 Cb 0.26 -1.63 0.09 0.00 0.02 0.00 0.00 35.03 33.76 3cf5 n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf5 n ALA 81 N -1.59 5.74 0.00 3.14 0.00 0.80 -4.32 120.51 124.28 3cf5 n ALA 81 Ca 0.01 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.99 3cf5 n ALA 81 Cb 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3cf5 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 82 N -0.91 0.00 -3.09 0.00 0.00 -0.82 -4.91 120.51 110.78 3cf5 n ALA 82 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 3cf5 n ALA 82 Cb 0.88 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.34 3cf5 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 83 N 0.00 -1.11 3.23 0.00 0.00 0.03 -5.02 105.19 102.32 3cf5 n GLY 83 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 46.02 46.98 3cf5 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cf5 s ILE 84 N -2.64 -0.55 -0.78 -0.61 1.01 -1.02 -5.05 121.20 111.57 3cf5 s ILE 84 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 3cf5 s ILE 84 Cb -0.04 -1.00 0.37 0.00 0.01 0.00 0.00 42.46 41.80 3cf5 s ILE 84 CO 0.79 0.00 1.89 0.61 0.00 0.00 0.00 174.94 178.23 3cf5 n GLY 85 N 5.33 5.62 0.00 6.18 0.00 -1.26 -4.43 105.19 116.63 3cf5 n GLY 85 Ca -0.06 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.44 3cf5 n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cf5 n LYS 86 N -0.55 0.00 -0.92 1.61 3.00 -1.26 -5.17 118.16 114.86 3cf5 n LYS 86 Ca 0.52 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.48 3cf5 n LYS 86 Cb 0.32 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.42 3cf5 n LYS 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cf5 n GLY 87 N 0.00 -3.63 3.73 3.14 0.00 -1.26 -4.95 105.19 102.22 3cf5 n GLY 87 Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 3cf5 n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cf5 s SER 88 N -1.32 6.99 0.13 1.61 1.04 -1.26 -5.00 113.70 115.89 3cf5 s SER 88 Ca 0.45 1.19 -0.28 0.00 0.48 0.00 0.00 55.95 57.79 3cf5 s SER 88 Cb -0.15 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 3cf5 s SER 88 CO 0.76 -0.02 1.60 0.77 0.98 0.00 0.00 173.24 177.32 3cf5 h SER 89 N 6.27 -1.13 -3.71 7.02 4.64 -1.92 -3.36 113.55 121.34 3cf5 h SER 89 Ca -0.43 0.15 -0.67 0.00 -0.47 0.00 0.00 61.79 60.38 3cf5 h SER 89 Cb 1.20 0.46 -0.36 0.00 -0.31 0.00 0.00 62.40 63.39 3cf5 h SER 89 CO 0.73 -0.40 -0.81 0.42 -0.87 0.00 0.00 176.83 175.90 3cf5 s THR 90 N -5.95 2.18 -0.21 2.95 -4.23 -1.26 -5.01 115.64 104.11 3cf5 s THR 90 Ca -0.15 -1.50 0.29 0.00 -1.18 0.00 0.00 61.69 59.14 3cf5 s THR 90 Cb 0.10 -2.22 0.35 0.00 1.34 0.00 0.00 72.50 72.07 3cf5 s THR 90 CO 0.65 0.08 1.82 1.55 -0.54 0.00 0.00 174.62 178.18 3cf5 h PRO 91 N 7.81 0.00 -0.01 3.99 0.13 -1.74 -2.74 132.00 139.44 3cf5 h PRO 91 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3cf5 h PRO 91 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3cf5 h PRO 91 CO 0.50 0.00 -0.39 0.09 -0.23 0.00 0.00 178.00 177.96 3cf5 n ASN 92 N -2.90 1.53 -0.07 1.44 5.03 -1.26 -4.27 115.26 114.76 3cf5 n ASN 92 Ca 0.02 -1.27 -0.12 0.00 0.87 0.00 0.00 54.58 54.08 3cf5 n ASN 92 Cb 0.37 0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 39.61 3cf5 n ASN 92 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3cf5 n LYS 93 N -0.28 0.33 -3.92 3.52 5.02 -1.24 -4.88 118.16 116.71 3cf5 n LYS 93 Ca 0.06 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 3cf5 n LYS 93 Cb 0.33 -1.16 -0.15 0.00 -0.02 0.00 0.00 35.03 34.03 3cf5 n LYS 93 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cf5 s ALA 94 N -2.27 2.11 0.41 7.82 0.00 -1.03 -5.11 121.76 123.68 3cf5 s ALA 94 Ca -0.20 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.03 3cf5 s ALA 94 Cb 0.06 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3cf5 s ALA 94 CO 0.29 -1.42 0.64 -1.59 0.00 0.00 0.00 175.76 173.68 3cf5 s LYS 95 N 1.31 3.41 -0.06 0.00 -2.85 -1.26 -4.23 119.74 116.06 3cf5 s LYS 95 Ca 0.02 -0.22 -0.01 0.00 -1.00 0.00 0.00 55.97 54.75 3cf5 s LYS 95 Cb -0.19 -2.56 -0.01 0.00 -2.06 0.00 0.00 37.83 33.01 3cf5 s LYS 95 CO -0.11 -0.04 0.08 0.28 0.10 0.00 0.00 175.35 175.66 3cf5 h VAL 96 N 0.53 0.00 0.00 1.79 2.07 -1.53 -3.50 116.25 115.61 3cf5 h VAL 96 Ca -0.48 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3cf5 h VAL 96 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3cf5 h VAL 96 CO 0.61 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.81 3cf5 n GLY 97 N 1.66 2.79 3.56 2.17 0.00 -1.05 -5.04 105.19 109.27 3cf5 n GLY 97 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3cf5 n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cf5 s LYS 98 N 4.65 0.77 0.09 1.61 2.20 -1.26 -1.97 119.74 125.83 3cf5 s LYS 98 Ca 0.00 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 3cf5 s LYS 98 Cb 0.00 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 3cf5 s LYS 98 CO 0.00 -0.24 0.07 1.47 -0.36 0.00 0.00 175.35 176.29 3cf5 n LEU 99 N 0.85 0.00 -4.63 5.43 -0.00 -1.21 -4.94 117.00 112.50 3cf5 n LEU 99 Ca -0.14 -0.84 -0.24 0.00 -0.00 0.00 0.00 56.01 54.80 3cf5 n LEU 99 Cb 0.57 0.40 -0.08 0.00 -0.00 0.00 0.00 43.42 44.32 3cf5 n LEU 99 CO 0.19 -0.14 -0.35 0.21 -0.00 0.00 0.00 177.39 177.30 3cf5 s ASN 100 N -1.63 4.48 0.44 1.45 3.84 -1.26 -3.35 114.94 118.91 3cf5 s ASN 100 Ca 0.09 -0.63 0.24 0.00 0.21 0.00 0.00 52.86 52.76 3cf5 s ASN 100 Cb 0.00 -0.82 0.93 0.00 -0.55 0.00 0.00 41.25 40.82 3cf5 s ASN 100 CO 0.07 0.02 1.83 4.11 -2.79 0.00 0.00 177.10 180.34 3cf5 h TRP 101 N 2.11 0.00 0.22 0.43 0.09 -2.00 -3.35 115.95 113.45 3cf5 h TRP 101 Ca -0.45 0.00 0.01 0.00 0.09 0.00 0.00 58.89 58.54 3cf5 h TRP 101 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.44 3cf5 h TRP 101 CO 0.68 0.24 -0.39 -0.44 0.09 0.00 0.00 178.44 178.61 3cf5 h ASP 102 N 0.00 -1.12 0.12 0.11 3.32 -2.00 0.66 116.42 117.51 3cf5 h ASP 102 Ca -0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3cf5 h ASP 102 Cb 0.73 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3cf5 h ASP 102 CO 0.03 -0.50 0.00 1.56 -1.72 0.00 0.00 179.24 178.62 3cf5 h GLN 103 N -0.69 0.00 0.00 3.56 7.50 -2.02 0.33 115.11 123.78 3cf5 h GLN 103 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3cf5 h GLN 103 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.21 3cf5 h GLN 103 CO -0.17 0.00 0.00 0.28 -1.50 0.00 0.00 178.83 177.44 3cf5 n VAL 104 N -2.62 0.71 -0.02 -0.54 0.31 0.20 -2.93 118.33 113.43 3cf5 n VAL 104 Ca -0.02 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 3cf5 n VAL 104 Cb 0.08 -0.87 -0.09 0.00 -0.91 0.00 0.00 33.84 32.04 3cf5 n VAL 104 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3cf5 h LEU 105 N 0.00 0.08 -1.09 7.52 3.38 -0.07 -3.23 115.31 121.91 3cf5 h LEU 105 Ca 0.00 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 3cf5 h LEU 105 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3cf5 h LEU 105 CO 0.00 0.58 -0.19 1.05 0.09 0.00 0.00 178.44 179.96 3cf5 h GLU 106 N -0.41 0.41 -0.08 1.13 4.11 -1.67 -2.88 114.58 115.20 3cf5 h GLU 106 Ca 0.00 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.33 3cf5 h GLU 106 Cb 0.56 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 3cf5 h GLU 106 CO 0.01 0.59 -0.54 0.82 0.07 0.00 0.00 179.01 179.97 3cf5 h ILE 107 N 0.38 0.01 0.00 -1.06 2.04 -1.56 0.52 117.51 117.83 3cf5 h ILE 107 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3cf5 h ILE 107 Cb 0.56 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3cf5 h ILE 107 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.19 3cf5 n ALA 108 N -2.99 2.18 1.10 1.87 0.00 -1.20 -1.60 120.51 119.87 3cf5 n ALA 108 Ca -0.07 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.38 3cf5 n ALA 108 Cb 0.39 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.69 3cf5 n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3cf5 n LYS 109 N -1.09 2.02 0.00 0.00 3.00 0.17 -3.28 118.16 118.98 3cf5 n LYS 109 Ca 0.13 -1.59 0.00 0.00 -0.00 0.00 0.00 58.31 56.85 3cf5 n LYS 109 Cb 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.66 3cf5 n LYS 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3cf5 n THR 110 N 0.90 0.00 1.90 3.15 -1.04 -0.74 -4.67 114.28 113.77 3cf5 n THR 110 Ca 0.14 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.31 3cf5 n THR 110 Cb 0.53 -0.52 0.87 0.00 -1.82 0.00 0.00 70.33 69.39 3cf5 n THR 110 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3cf5 n LYS 111 N -2.04 1.08 0.01 -2.82 5.02 -0.63 -4.30 118.16 114.48 3cf5 n LYS 111 Ca 0.00 -0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.02 3cf5 n LYS 111 Cb 0.38 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 3cf5 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cf5 h MET 112 N 0.36 -0.46 -0.02 1.97 -0.00 -1.78 0.77 114.93 115.77 3cf5 h MET 112 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3cf5 h MET 112 Cb 0.09 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 3cf5 h MET 112 CO 0.00 -0.31 0.00 -2.30 -0.00 0.00 0.00 176.91 174.30 3cf5 n PRO 113 N -5.43 0.20 0.03 -0.10 -0.02 -1.26 -2.27 135.00 126.15 3cf5 n PRO 113 Ca -0.04 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3cf5 n PRO 113 Cb 0.35 -1.01 -0.00 0.00 -0.02 0.00 0.00 33.50 32.82 3cf5 n PRO 113 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cf5 n ASP 114 N -0.42 0.81 -4.67 2.55 8.00 -0.65 -5.00 116.55 117.17 3cf5 n ASP 114 Ca 0.00 0.10 -0.44 0.00 0.71 0.00 0.00 54.79 55.16 3cf5 n ASP 114 Cb 0.00 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 3cf5 n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3cf5 n LEU 115 N -3.38 3.88 -0.42 0.64 4.77 0.17 -4.84 117.00 117.82 3cf5 n LEU 115 Ca -0.01 0.94 0.05 0.00 -0.03 0.00 0.00 56.01 56.97 3cf5 n LEU 115 Cb 0.17 -1.47 0.04 0.00 -2.33 0.00 0.00 43.42 39.83 3cf5 n LEU 115 CO 0.00 0.10 0.41 -0.46 -1.33 0.00 0.00 177.39 176.11 3cf5 n ASN 116 N 6.85 1.86 -3.90 -1.43 6.94 -1.26 -4.83 115.26 119.49 3cf5 n ASN 116 Ca 0.21 -1.43 -0.24 0.00 -0.02 0.00 0.00 54.58 53.09 3cf5 n ASN 116 Cb 0.36 0.03 0.09 0.00 -2.36 0.00 0.00 39.78 37.90 3cf5 n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cf5 n ALA 117 N 0.56 -2.01 -1.00 -2.53 0.00 -1.26 -5.00 120.51 109.26 3cf5 n ALA 117 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3cf5 n ALA 117 Cb 0.27 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3cf5 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 118 N 2.77 -2.24 3.70 0.00 0.00 -1.26 -4.92 105.19 103.25 3cf5 n GLY 118 Ca 0.01 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3cf5 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cf5 s SER 119 N -1.78 5.72 0.00 1.61 0.15 -1.26 -4.81 113.70 113.34 3cf5 s SER 119 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3cf5 s SER 119 Cb 0.00 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 3cf5 s SER 119 CO 0.00 0.26 0.00 0.52 1.20 0.00 0.00 173.24 175.22 3cf5 n VAL 120 N 2.95 0.00 -0.35 4.45 0.31 -1.26 0.26 118.33 124.69 3cf5 n VAL 120 Ca -0.18 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.29 3cf5 n VAL 120 Cb 0.53 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.73 3cf5 n VAL 120 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3cf5 h GLU 121 N 0.00 0.00 0.00 5.55 3.07 -1.96 0.45 114.58 121.70 3cf5 h GLU 121 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cf5 h GLU 121 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3cf5 h GLU 121 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3cf5 n ALA 122 N -3.23 0.00 1.50 3.43 0.00 0.14 0.86 120.51 123.21 3cf5 n ALA 122 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.78 3cf5 n ALA 122 Cb 0.72 0.30 0.72 0.00 0.00 0.00 0.00 19.45 21.19 3cf5 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 123 N -1.86 2.40 0.09 0.00 0.00 0.07 -2.58 120.51 118.63 3cf5 n ALA 123 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 3cf5 n ALA 123 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 3cf5 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ALA 124 N 3.50 0.51 -0.00 0.00 0.00 0.49 -3.29 119.26 120.47 3cf5 h ALA 124 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3cf5 h ALA 124 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3cf5 h ALA 124 CO 0.00 1.00 -0.67 0.09 0.00 0.00 0.00 179.25 179.67 3cf5 n ASN 125 N -3.34 1.13 0.05 0.00 3.02 -0.07 -4.21 115.26 111.85 3cf5 n ASN 125 Ca 0.01 -1.07 -0.12 0.00 -0.03 0.00 0.00 54.58 53.37 3cf5 n ASN 125 Cb 0.84 0.83 -0.08 0.00 -0.61 0.00 0.00 39.78 40.75 3cf5 n ASN 125 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3cf5 h THR 126 N 0.67 0.99 0.00 3.41 2.02 -1.59 -3.06 112.91 115.35 3cf5 h THR 126 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3cf5 h THR 126 Cb 0.48 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3cf5 h THR 126 CO 0.00 0.23 0.00 0.58 0.37 0.00 0.00 175.52 176.70 3cf5 h VAL 127 N -0.74 0.00 0.78 3.16 2.07 -1.78 -2.85 116.25 116.89 3cf5 h VAL 127 Ca -0.02 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3cf5 h VAL 127 Cb 0.53 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3cf5 h VAL 127 CO 0.03 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.25 3cf5 h ALA 128 N 2.07 -1.25 -1.01 1.67 0.00 -1.70 0.75 119.26 119.79 3cf5 h ALA 128 Ca 0.00 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.92 3cf5 h ALA 128 Cb 0.18 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 3cf5 h ALA 128 CO 0.00 -1.17 0.63 0.78 0.00 0.00 0.00 179.25 179.49 3cf5 h GLY 129 N -1.07 1.49 0.73 0.00 0.00 -1.55 1.86 103.07 104.53 3cf5 h GLY 129 Ca -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3cf5 h GLY 129 CO 0.18 -0.14 -0.35 -0.84 0.00 0.00 0.00 176.54 175.38 3cf5 h THR 130 N 0.52 0.00 -0.73 4.70 2.02 -1.54 -1.60 112.91 116.28 3cf5 h THR 130 Ca 0.60 -0.23 0.14 0.00 0.77 0.00 0.00 66.41 67.69 3cf5 h THR 130 Cb 1.29 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.60 3cf5 h THR 130 CO -0.35 0.00 0.25 0.00 0.37 0.00 0.00 175.52 175.79 3cf5 h ALA 131 N -1.32 0.99 -0.23 6.16 0.00 0.40 -2.20 119.26 123.06 3cf5 h ALA 131 Ca -0.10 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3cf5 h ALA 131 Cb 0.75 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3cf5 h ALA 131 CO 0.17 -0.24 -0.42 -0.09 0.00 0.00 0.00 179.25 178.66 3cf5 h ARG 132 N 0.39 -0.34 -0.01 0.00 2.43 0.30 -2.93 114.38 114.21 3cf5 h ARG 132 Ca 0.40 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3cf5 h ARG 132 Cb 0.61 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3cf5 h ARG 132 CO -0.42 -0.23 -0.02 0.43 -1.51 0.00 0.00 179.97 178.22 3cf5 n SER 133 N -4.72 0.71 -0.05 -3.80 7.64 -0.62 -3.64 113.62 109.14 3cf5 n SER 133 Ca -0.03 -1.14 -0.13 0.00 1.01 0.00 0.00 58.87 58.57 3cf5 n SER 133 Cb 0.27 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 3cf5 n SER 133 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3cf5 h MET 134 N 1.08 -0.01 0.00 1.43 1.85 -1.24 -3.45 114.93 114.60 3cf5 h MET 134 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3cf5 h MET 134 Cb 0.27 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.30 3cf5 h MET 134 CO 0.00 0.82 0.00 0.41 -0.40 0.00 0.00 176.91 177.74 3cf5 n GLY 135 N 1.18 -0.17 3.26 1.39 0.00 -1.18 -4.58 105.19 105.10 3cf5 n GLY 135 Ca -0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3cf5 n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cf5 s VAL 136 N 0.00 0.10 0.15 1.61 -7.23 -1.15 -1.38 120.40 112.49 3cf5 s VAL 136 Ca 0.00 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 3cf5 s VAL 136 Cb 0.00 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3cf5 s VAL 136 CO 0.00 -0.45 0.30 0.42 -0.31 0.00 0.00 175.10 175.07 3cf5 s THR 137 N -3.45 5.30 -0.42 5.32 -4.23 -0.83 -4.31 115.64 113.01 3cf5 s THR 137 Ca 0.01 -0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 3cf5 s THR 137 Cb 0.02 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.16 3cf5 s THR 137 CO -0.09 -0.07 0.54 -0.69 -0.54 0.00 0.00 174.62 173.77 3cf5 s VAL 138 N -1.73 4.96 0.44 2.29 1.01 -1.26 -3.35 120.40 122.75 3cf5 s VAL 138 Ca 0.36 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 3cf5 s VAL 138 Cb -0.11 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3cf5 s VAL 138 CO 0.28 -0.47 1.07 -0.70 0.00 0.00 0.00 175.10 175.28 3cf5 s GLU 139 N 2.49 3.96 0.37 2.72 2.12 -1.21 -4.89 118.70 124.26 3cf5 s GLU 139 Ca 0.18 1.51 0.00 0.00 0.36 0.00 0.00 54.97 57.02 3cf5 s GLU 139 Cb -0.15 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.87 3cf5 s GLU 139 CO 0.16 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 3cf5 n GLY 140 N 0.17 -1.04 0.00 -1.50 0.00 -1.26 -4.77 105.19 96.78 3cf5 n GLY 140 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3cf5 n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 141 N -2.33 0.43 3.00 -0.02 0.00 -1.26 -5.12 105.19 99.89 3cf5 n GLY 141 Ca 0.01 -1.65 -0.50 0.00 0.00 0.00 0.00 46.02 43.88 3cf5 n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cf5 n PRO 142 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.67 135.00 130.66 3cf5 n PRO 142 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3cf5 n PRO 142 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3cf5 n PRO 142 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cf5 n ASN 143 N 1.34 0.00 0.00 2.55 3.02 -1.26 -5.32 115.26 115.59 3cf5 n ASN 143 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3cf5 n ASN 143 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3cf5 n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64