#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s67 n ILE 21 N 0.00 0.00 0.06 -0.61 -6.64 -1.26 -4.59 119.36 106.32 1s67 n ILE 21 Ca 0.00 -0.48 -0.18 0.00 -1.77 0.00 0.00 62.75 60.32 1s67 n ILE 21 Cb 0.00 1.34 -0.14 0.00 -1.44 0.00 0.00 39.64 39.40 1s67 n ILE 21 CO 0.00 0.00 0.00 -0.26 -1.77 0.00 0.00 176.55 174.52 1s67 h PHE 22 N 3.21 0.51 -0.04 4.28 0.04 -2.06 -2.89 116.94 119.98 1s67 h PHE 22 Ca 0.00 -0.37 -0.02 0.00 2.80 0.00 0.00 57.97 60.38 1s67 h PHE 22 Cb 0.70 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 1s67 h PHE 22 CO 0.00 1.46 -0.05 0.35 -0.60 0.00 0.00 178.31 179.47 1s67 h PHE 23 N 0.08 0.12 -0.18 -0.55 3.04 -2.01 -3.13 116.94 114.30 1s67 h PHE 23 Ca -0.28 -0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.69 1s67 h PHE 23 Cb 2.04 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 40.52 1s67 h PHE 23 CO 0.07 0.59 0.15 -1.35 -2.02 0.00 0.00 178.31 175.74 1s67 h PRO 24 N -0.38 0.00 -0.26 6.41 0.11 -1.81 -1.77 132.00 134.31 1s67 h PRO 24 Ca 0.01 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1s67 h PRO 24 Cb 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1s67 h PRO 24 CO 0.01 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 177.62 1s67 h ALA 25 N 1.88 0.37 0.00 -0.75 0.00 -1.47 -1.57 119.26 117.71 1s67 h ALA 25 Ca 0.09 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1s67 h ALA 25 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s67 h ALA 25 CO -0.00 0.29 -0.79 -0.07 0.00 0.00 0.00 179.25 178.68 1s67 h LEU 26 N 0.29 0.00 -0.32 0.00 3.38 -1.49 -2.79 115.31 114.39 1s67 h LEU 26 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 1s67 h LEU 26 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1s67 h LEU 26 CO 0.05 0.79 -0.59 -0.08 0.09 0.00 0.00 178.44 178.70 1s67 h GLU 27 N 0.00 0.80 -0.57 1.13 4.57 -1.32 -3.22 114.58 115.97 1s67 h GLU 27 Ca -0.01 -0.53 -0.20 0.00 -1.18 0.00 0.00 59.36 57.44 1s67 h GLU 27 Cb 1.59 0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 30.13 1s67 h GLU 27 CO 0.10 1.16 0.18 1.04 -1.18 0.00 0.00 179.01 180.31 1s67 n GLN 28 N -3.98 2.90 -2.77 1.92 6.02 -0.59 -4.24 117.38 116.63 1s67 n GLN 28 Ca -0.05 -3.06 -0.40 0.00 -0.01 0.00 0.00 57.00 53.49 1s67 n GLN 28 Cb 0.64 -2.03 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 1s67 n GLN 28 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1s67 s ASN 29 N -1.64 7.59 0.48 1.08 3.84 -1.05 -4.95 114.94 120.29 1s67 s ASN 29 Ca 0.50 1.88 0.19 0.00 0.21 0.00 0.00 52.86 55.64 1s67 s ASN 29 Cb 0.42 -2.59 1.20 0.00 -0.55 0.00 0.00 41.25 39.73 1s67 s ASN 29 CO 0.09 0.11 2.05 0.00 -2.79 0.00 0.00 177.10 176.55 1s67 h MET 30 N 4.54 0.00 -6.56 0.43 -0.00 -1.92 -3.41 114.93 108.01 1s67 h MET 30 Ca -0.45 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 58.74 1s67 h MET 30 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.78 1s67 h MET 30 CO 0.69 0.13 0.24 -1.64 -0.00 0.00 0.00 176.91 176.33 1s67 s MET 31 N -4.59 4.65 0.74 -0.10 -1.94 -1.26 -4.84 119.30 111.96 1s67 s MET 31 Ca -0.04 1.26 -0.15 0.00 -1.71 0.00 0.00 55.69 55.05 1s67 s MET 31 Cb 0.15 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.74 1s67 s MET 31 CO 0.66 0.48 1.18 0.41 -0.01 0.00 0.00 175.02 177.74 1s67 n GLY 32 N 1.74 0.07 2.63 -0.03 0.00 -0.40 -4.71 105.19 104.50 1s67 n GLY 32 Ca -0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1s67 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s67 s ALA 33 N -1.83 0.30 -0.48 4.61 0.00 -1.26 -2.01 121.76 121.09 1s67 s ALA 33 Ca 0.76 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1s67 s ALA 33 Cb -0.33 -1.12 0.12 0.00 0.00 0.00 0.00 23.12 21.80 1s67 s ALA 33 CO 0.47 -1.22 0.23 0.08 0.00 0.00 0.00 175.76 175.32 1s67 s VAL 34 N 2.17 2.75 0.10 0.00 1.01 -1.17 -3.39 120.40 121.87 1s67 s VAL 34 Ca 0.04 -2.89 -0.23 0.00 0.00 0.00 0.00 61.98 58.89 1s67 s VAL 34 Cb -0.16 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 1s67 s VAL 34 CO -0.12 -0.75 0.71 -0.22 0.00 0.00 0.00 175.10 174.73 1s67 s LEU 35 N 0.19 4.53 0.07 3.92 2.96 -1.13 -2.78 118.68 126.44 1s67 s LEU 35 Ca 0.15 1.47 0.07 0.00 -0.22 0.00 0.00 54.13 55.59 1s67 s LEU 35 Cb -0.23 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 1s67 s LEU 35 CO -0.03 0.16 -0.19 0.27 -1.32 0.00 0.00 176.35 175.24 1s67 s ILE 36 N -0.76 1.54 0.00 6.68 -4.36 -0.90 -1.35 121.20 122.05 1s67 s ILE 36 Ca 0.35 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 1s67 s ILE 36 Cb -0.21 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.11 1s67 s ILE 36 CO 0.23 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 174.95 1s67 n ASN 37 N 1.43 0.00 -0.12 4.36 0.23 -0.82 -2.61 115.26 117.74 1s67 n ASN 37 Ca -0.19 -0.88 0.12 0.00 -0.53 0.00 0.00 54.58 53.10 1s67 n ASN 37 Cb 0.54 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.73 1s67 n ASN 37 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1s67 h GLU 38 N 0.00 0.43 -0.89 -3.83 9.09 -1.89 -2.35 114.58 115.14 1s67 h GLU 38 Ca 0.00 -0.03 -0.31 0.00 0.05 0.00 0.00 59.36 59.07 1s67 h GLU 38 Cb 0.00 -0.10 -0.19 0.00 -1.65 0.00 0.00 28.75 26.82 1s67 h GLU 38 CO 0.00 0.28 0.40 0.09 0.05 0.00 0.00 179.01 179.83 1s67 n ASN 39 N -4.47 4.11 -2.30 3.06 5.03 -1.26 -4.91 115.26 114.51 1s67 n ASN 39 Ca 0.11 -3.22 -0.19 0.00 0.87 0.00 0.00 54.58 52.15 1s67 n ASN 39 Cb 0.41 -0.76 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 1s67 n ASN 39 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1s67 n ASP 40 N -0.48 -5.43 -4.71 6.41 8.00 -0.88 -4.89 116.55 114.57 1s67 n ASP 40 Ca 0.44 0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.66 1s67 n ASP 40 Cb 1.39 -4.57 -0.08 0.00 -0.02 0.00 0.00 41.12 37.84 1s67 n ASP 40 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s67 s GLU 41 N -4.86 4.17 -0.30 -1.24 2.02 -1.26 -0.93 118.70 116.30 1s67 s GLU 41 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 1s67 s GLU 41 Cb 0.00 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 1s67 s GLU 41 CO 0.00 0.19 1.63 0.08 0.02 0.00 0.00 175.26 177.19 1s67 s VAL 42 N 0.65 3.67 -1.57 2.63 1.01 -0.97 -1.95 120.40 123.87 1s67 s VAL 42 Ca 0.11 0.71 0.22 0.00 0.00 0.00 0.00 61.98 63.02 1s67 s VAL 42 Cb -0.12 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1s67 s VAL 42 CO 0.02 -0.44 1.01 0.23 0.00 0.00 0.00 175.10 175.92 1s67 n MET 43 N 8.03 0.66 -3.76 2.72 0.00 -0.45 -2.09 117.12 122.23 1s67 n MET 43 Ca 0.20 -0.54 -0.13 0.00 0.00 0.00 0.00 57.70 57.22 1s67 n MET 43 Cb 0.46 -1.49 -0.11 0.00 0.00 0.00 0.00 33.22 32.09 1s67 n MET 43 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1s67 s PHE 44 N -2.72 -0.36 -0.43 2.03 2.19 -1.18 -4.97 117.98 112.54 1s67 s PHE 44 Ca 0.14 0.87 0.06 0.00 0.33 0.00 0.00 56.93 58.33 1s67 s PHE 44 Cb 0.17 0.12 0.18 0.00 -1.31 0.00 0.00 43.02 42.19 1s67 s PHE 44 CO 0.71 -0.19 0.70 0.12 1.83 0.00 0.00 175.22 178.39 1s67 s PHE 45 N 0.08 -1.57 0.88 10.12 5.36 -1.23 -2.84 117.98 128.78 1s67 s PHE 45 Ca -0.01 -0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 55.84 1s67 s PHE 45 Cb -0.03 0.29 0.12 0.00 -0.34 0.00 0.00 43.02 43.07 1s67 s PHE 45 CO 0.01 -1.11 1.11 0.54 -1.46 0.00 0.00 175.22 174.31 1s67 s ASN 46 N 1.55 3.78 0.65 6.13 4.22 -1.22 -4.61 114.94 125.44 1s67 s ASN 46 Ca 0.20 1.15 0.43 0.00 -2.14 0.00 0.00 52.86 52.50 1s67 s ASN 46 Cb -0.02 -1.81 2.28 0.00 1.28 0.00 0.00 41.25 42.99 1s67 s ASN 46 CO -0.07 -2.40 2.32 -0.65 -2.04 0.00 0.00 177.10 174.27 1s67 h PRO 47 N -1.39 0.00 -0.33 3.55 0.11 -1.92 -1.76 132.00 130.26 1s67 h PRO 47 Ca -0.50 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1s67 h PRO 47 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1s67 h PRO 47 CO 0.60 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 178.01 1s67 h ALA 48 N 2.00 0.72 0.00 -0.75 0.00 -1.85 -2.87 119.26 116.51 1s67 h ALA 48 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1s67 h ALA 48 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s67 h ALA 48 CO 0.00 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.85 1s67 h ALA 49 N 0.94 0.99 -0.17 0.00 0.00 -1.61 -3.02 119.26 116.39 1s67 h ALA 49 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1s67 h ALA 49 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1s67 h ALA 49 CO 0.08 0.08 -0.41 0.93 0.00 0.00 0.00 179.25 179.94 1s67 h GLU 50 N 0.00 0.39 0.00 0.00 5.08 -1.25 -2.63 114.58 116.18 1s67 h GLU 50 Ca -0.00 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.95 1s67 h GLU 50 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1s67 h GLU 50 CO 0.01 0.74 -1.13 0.87 -1.00 0.00 0.00 179.01 178.49 1s67 h LYS 51 N 0.33 0.00 -0.20 2.33 1.57 -1.50 -1.91 116.57 117.19 1s67 h LYS 51 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1s67 h LYS 51 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1s67 h LYS 51 CO 0.07 0.75 -0.50 -0.07 -0.57 0.00 0.00 179.45 179.13 1s67 h LEU 52 N 0.00 0.79 0.00 2.94 3.38 -1.53 -3.35 115.31 117.54 1s67 h LEU 52 Ca -0.09 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1s67 h LEU 52 Cb 1.76 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1s67 h LEU 52 CO 0.10 1.22 -1.52 0.79 0.09 0.00 0.00 178.44 179.11 1s67 n TRP 53 N -4.15 0.05 -1.09 1.13 8.01 -0.99 -4.74 117.44 115.66 1s67 n TRP 53 Ca -0.06 0.02 -0.03 0.00 -1.31 0.00 0.00 57.50 56.11 1s67 n TRP 53 Cb 0.60 -0.33 -0.01 0.00 -2.01 0.00 0.00 31.31 29.55 1s67 n TRP 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s67 n GLY 54 N 1.35 0.59 3.63 6.99 0.00 -0.72 -1.61 105.19 115.42 1s67 n GLY 54 Ca -0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1s67 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s67 s TYR 55 N -1.90 3.04 0.68 1.61 1.51 -1.19 -4.70 117.35 116.40 1s67 s TYR 55 Ca 0.00 0.10 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 1s67 s TYR 55 Cb 0.00 -1.74 -0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1s67 s TYR 55 CO 0.00 0.40 1.06 0.15 -1.11 0.00 0.00 175.55 176.05 1s67 s LYS 56 N -0.89 3.06 0.49 -0.62 -0.14 -1.26 -4.26 119.74 116.12 1s67 s LYS 56 Ca 0.13 0.80 0.28 0.00 -1.36 0.00 0.00 55.97 55.82 1s67 s LYS 56 Cb -0.11 -2.02 1.12 0.00 -1.68 0.00 0.00 37.83 35.14 1s67 s LYS 56 CO 0.02 -0.97 1.90 0.07 -0.76 0.00 0.00 175.35 175.62 1s67 h ARG 57 N -0.62 0.00 -0.22 1.68 0.11 -1.93 -2.71 114.38 110.69 1s67 h ARG 57 Ca -0.44 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.52 1s67 h ARG 57 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1s67 h ARG 57 CO 0.60 0.13 -0.37 0.93 0.10 0.00 0.00 179.97 181.36 1s67 h GLU 58 N 0.00 0.49 0.00 0.08 3.07 -1.93 -2.53 114.58 113.76 1s67 h GLU 58 Ca -0.00 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.56 1s67 h GLU 58 Cb 0.63 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1s67 h GLU 58 CO 0.02 0.79 -0.31 0.93 -1.40 0.00 0.00 179.01 179.04 1s67 h GLU 59 N 0.41 0.00 0.00 2.33 5.08 -1.87 -3.35 114.58 117.18 1s67 h GLU 59 Ca 0.04 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.03 1s67 h GLU 59 Cb 0.84 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 1s67 h GLU 59 CO 0.07 0.31 -2.41 0.28 -1.00 0.00 0.00 179.01 176.25 1s67 n VAL 60 N -3.41 1.42 -2.17 3.13 0.31 -1.18 -4.84 118.33 111.59 1s67 n VAL 60 Ca 0.00 -0.73 -0.42 0.00 -0.01 0.00 0.00 64.34 63.18 1s67 n VAL 60 Cb 0.50 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 1s67 n VAL 60 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s67 s ILE 61 N -2.50 3.46 0.00 2.52 -1.09 -0.96 -2.83 121.20 119.80 1s67 s ILE 61 Ca -0.21 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1s67 s ILE 61 Cb 0.07 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1s67 s ILE 61 CO 0.72 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 1s67 n GLY 62 N 3.61 3.01 3.87 6.18 0.00 -0.89 -5.00 105.19 115.97 1s67 n GLY 62 Ca 0.13 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1s67 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s67 s ASN 63 N 0.36 4.21 0.81 1.61 0.01 -1.13 -4.70 114.94 116.11 1s67 s ASN 63 Ca 0.00 0.82 -0.11 0.00 -0.71 0.00 0.00 52.86 52.86 1s67 s ASN 63 Cb 0.00 -1.32 0.08 0.00 0.41 0.00 0.00 41.25 40.42 1s67 s ASN 63 CO 0.00 -2.10 1.09 0.21 -1.51 0.00 0.00 177.10 174.79 1s67 s ASN 64 N -4.44 4.27 0.54 -1.22 2.47 -1.26 -2.30 114.94 113.00 1s67 s ASN 64 Ca 0.63 1.50 0.32 0.00 0.42 0.00 0.00 52.86 55.73 1s67 s ASN 64 Cb -0.12 -2.23 1.45 0.00 -1.45 0.00 0.00 41.25 38.90 1s67 s ASN 64 CO 0.50 -2.14 2.03 -0.29 -3.72 0.00 0.00 177.10 173.48 1s67 h ILE 65 N -1.20 0.21 -0.99 -5.21 2.10 -1.38 -3.31 117.51 107.72 1s67 h ILE 65 Ca -0.47 -0.56 0.31 0.00 1.08 0.00 0.00 64.86 65.22 1s67 h ILE 65 Cb 1.26 1.46 -0.18 0.00 -1.09 0.00 0.00 36.82 38.27 1s67 h ILE 65 CO 0.56 0.06 0.16 0.44 -1.08 0.00 0.00 178.15 178.29 1s67 h ASP 66 N 0.00 -0.28 -0.56 2.19 3.32 -1.92 -0.92 116.42 118.25 1s67 h ASP 66 Ca -0.00 0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1s67 h ASP 66 Cb 0.45 0.43 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1s67 h ASP 66 CO 0.01 -0.37 0.21 0.00 -1.72 0.00 0.00 179.24 177.36 1s67 h MET 67 N 0.01 0.89 0.00 3.56 -0.00 -1.98 -2.50 114.93 114.91 1s67 h MET 67 Ca 0.66 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 60.21 1s67 h MET 67 Cb 1.48 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.93 1s67 h MET 67 CO -0.88 0.75 0.00 -0.07 -0.00 0.00 0.00 176.91 176.71 1s67 h LEU 68 N 0.87 0.00 -9.69 -0.10 3.38 -1.44 -3.44 115.31 104.89 1s67 h LEU 68 Ca 0.20 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.66 1s67 h LEU 68 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1s67 h LEU 68 CO -0.01 0.00 0.29 -0.63 0.09 0.00 0.00 178.44 178.18 1s67 s ILE 69 N -3.28 4.29 0.59 1.22 -1.09 -0.94 -4.74 121.20 117.25 1s67 s ILE 69 Ca 0.07 1.95 -0.19 0.00 -2.23 0.00 0.00 60.65 60.25 1s67 s ILE 69 Cb 0.09 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1s67 s ILE 69 CO 0.57 0.46 0.99 -2.65 -1.23 0.00 0.00 174.94 173.08 1s67 n PRO 70 N 1.89 0.96 0.18 2.79 -0.02 -1.26 -4.80 135.00 134.73 1s67 n PRO 70 Ca -0.02 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1s67 n PRO 70 Cb 0.48 -2.19 0.41 0.00 -0.02 0.00 0.00 33.50 32.19 1s67 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s67 h ARG 71 N 0.58 0.08 0.00 -0.52 3.08 -1.93 -1.77 114.38 113.89 1s67 h ARG 71 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1s67 h ARG 71 Cb 1.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1s67 h ARG 71 CO 0.51 0.31 0.00 0.38 -1.07 0.00 0.00 179.97 180.11 1s67 h ASP 72 N 0.07 0.00 -0.19 7.04 -0.00 -2.02 -3.09 116.42 118.23 1s67 h ASP 72 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1s67 h ASP 72 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 1s67 h ASP 72 CO 0.03 0.00 0.00 -0.11 -0.00 0.00 0.00 179.24 179.16 1s67 n LEU 73 N -2.72 2.52 -0.06 0.15 7.94 -0.82 -4.76 117.00 119.25 1s67 n LEU 73 Ca 0.03 -1.45 -0.07 0.00 -1.11 0.00 0.00 56.01 53.40 1s67 n LEU 73 Cb 0.37 -0.12 -0.01 0.00 0.53 0.00 0.00 43.42 44.19 1s67 n LEU 73 CO 0.28 0.56 0.84 -0.09 -1.11 0.00 0.00 177.39 177.87 1s67 h ARG 74 N 2.42 0.05 -0.33 1.96 9.65 -1.26 -2.58 114.38 124.30 1s67 h ARG 74 Ca 0.00 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 1s67 h ARG 74 Cb 0.64 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 1s67 h ARG 74 CO 0.00 0.03 -0.14 -1.35 2.80 0.00 0.00 179.97 181.31 1s67 h PRO 75 N 0.05 0.58 0.00 0.20 0.11 -1.86 -3.32 132.00 127.76 1s67 h PRO 75 Ca 0.12 -0.18 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 1s67 h PRO 75 Cb 0.17 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 1s67 h PRO 75 CO -0.23 0.71 -1.21 0.00 -0.21 0.00 0.00 178.00 177.05 1s67 h ALA 76 N 1.32 0.62 -0.47 -0.75 0.00 -1.87 -3.40 119.26 114.72 1s67 h ALA 76 Ca 0.09 -0.95 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 1s67 h ALA 76 Cb 0.56 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1s67 h ALA 76 CO 0.04 1.11 -0.13 1.25 0.00 0.00 0.00 179.25 181.52 1s67 h HIS 77 N 0.00 0.98 -0.22 0.00 6.17 -1.56 -2.95 115.15 117.58 1s67 h HIS 77 Ca -0.13 -0.20 0.06 0.00 0.71 0.00 0.00 60.37 60.81 1s67 h HIS 77 Cb 1.70 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 31.38 1s67 h HIS 77 CO 0.00 0.95 0.15 -1.35 0.71 0.00 0.00 177.93 178.40 1s67 h PRO 78 N 0.78 0.02 0.00 5.26 0.11 -1.77 -2.31 132.00 134.10 1s67 h PRO 78 Ca 0.12 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 1s67 h PRO 78 Cb 0.66 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1s67 h PRO 78 CO 0.05 0.02 -0.76 1.49 -0.21 0.00 0.00 178.00 178.58 1s67 h GLU 79 N 0.03 0.00 -0.06 1.05 4.57 -1.79 -2.77 114.58 115.61 1s67 h GLU 79 Ca 0.10 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.14 1s67 h GLU 79 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1s67 h GLU 79 CO -0.00 0.76 -0.61 1.88 -1.18 0.00 0.00 179.01 179.85 1s67 h TYR 80 N 0.00 0.27 -0.11 0.92 0.05 -1.45 -2.41 116.97 114.24 1s67 h TYR 80 Ca -0.01 -0.11 -0.11 0.00 0.05 0.00 0.00 58.73 58.56 1s67 h TYR 80 Cb 1.39 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.08 1s67 h TYR 80 CO 0.00 0.77 -0.35 0.82 -1.05 0.00 0.00 178.16 178.35 1s67 h ILE 81 N 0.16 1.38 -0.67 -2.88 2.04 -1.52 -3.01 117.51 113.02 1s67 h ILE 81 Ca -0.01 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 1s67 h ILE 81 Cb 1.12 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 1s67 h ILE 81 CO 0.09 0.49 0.27 -0.09 0.00 0.00 0.00 178.15 178.92 1s67 h ARG 82 N 0.01 0.98 -0.19 2.37 2.43 -1.51 -2.44 114.38 116.04 1s67 h ARG 82 Ca -0.01 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1s67 h ARG 82 Cb 0.97 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1s67 h ARG 82 CO 0.07 0.80 -0.40 1.25 -1.51 0.00 0.00 179.97 180.18 1s67 h HIS 83 N 0.97 0.52 0.00 2.20 2.76 -1.51 -2.85 115.15 117.24 1s67 h HIS 83 Ca 0.23 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1s67 h HIS 83 Cb 0.18 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1s67 h HIS 83 CO 0.01 0.78 -0.47 -0.97 -1.30 0.00 0.00 177.93 175.98 1s67 h ASN 84 N 0.37 0.00 -0.12 3.26 -0.73 -1.32 -2.81 115.58 114.23 1s67 h ASN 84 Ca 0.03 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.00 1s67 h ASN 84 Cb 0.87 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.47 1s67 h ASN 84 CO 0.07 0.47 -0.70 0.03 -0.37 0.00 0.00 177.43 176.93 1s67 h ARG 85 N 0.00 0.68 0.00 6.67 3.08 -1.27 -3.25 114.38 120.29 1s67 h ARG 85 Ca -0.00 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1s67 h ARG 85 Cb 0.86 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1s67 h ARG 85 CO 0.06 1.19 0.00 0.93 -1.07 0.00 0.00 179.97 181.08 1s67 h GLU 86 N 0.36 0.00 -0.23 0.04 5.08 -1.51 -3.30 114.58 115.02 1s67 h GLU 86 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1s67 h GLU 86 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1s67 h GLU 86 CO 0.14 0.00 -0.06 0.78 -1.00 0.00 0.00 179.01 178.87 1s67 h GLY 87 N 3.17 0.48 0.00 -3.84 0.00 -1.53 -3.48 103.07 97.88 1s67 h GLY 87 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1s67 h GLY 87 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 176.54 177.52 1s67 n GLY 88 N -0.13 2.99 3.37 4.60 0.00 -1.24 -5.05 105.19 109.72 1s67 n GLY 88 Ca -0.04 -0.07 -0.50 0.00 0.00 0.00 0.00 46.02 45.41 1s67 n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s67 n LYS 89 N 0.00 0.00 -0.06 1.61 0.00 -1.26 -4.93 118.16 113.51 1s67 n LYS 89 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1s67 n LYS 89 Cb 0.00 -1.13 -0.12 0.00 -0.00 0.00 0.00 35.03 33.78 1s67 n LYS 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s67 h ALA 90 N 1.59 -0.00 -2.45 0.58 0.00 -1.96 -3.45 119.26 113.56 1s67 h ALA 90 Ca -0.35 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.56 1s67 h ALA 90 Cb 1.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1s67 h ALA 90 CO 0.58 -0.01 0.34 1.03 0.00 0.00 0.00 179.25 181.19 1s67 s ARG 91 N -2.25 4.44 -0.28 0.00 1.81 -1.26 -4.21 118.95 117.19 1s67 s ARG 91 Ca -0.17 1.18 -0.22 0.00 -1.72 0.00 0.00 55.73 54.80 1s67 s ARG 91 Cb -0.03 -3.50 -0.01 0.00 -0.45 0.00 0.00 34.95 30.97 1s67 s ARG 91 CO 0.63 -0.13 0.71 0.08 -0.68 0.00 0.00 175.30 175.90 1s67 s VAL 92 N 1.41 4.89 -0.65 3.52 1.01 -1.26 -4.94 120.40 124.38 1s67 s VAL 92 Ca 0.44 1.16 0.23 0.00 0.00 0.00 0.00 61.98 63.81 1s67 s VAL 92 Cb -0.19 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 1s67 s VAL 92 CO 0.20 -0.10 1.05 -0.62 0.00 0.00 0.00 175.10 175.63 1s67 n GLU 93 N 5.94 0.26 -1.72 2.72 1.02 -1.26 -4.90 120.64 122.69 1s67 n GLU 93 Ca 0.02 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 1s67 n GLU 93 Cb 0.48 -1.59 0.11 0.00 -0.02 0.00 0.00 31.44 30.43 1s67 n GLU 93 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1s67 s GLY 94 N -3.59 1.58 -1.33 0.62 0.00 -1.26 -4.31 107.32 99.04 1s67 s GLY 94 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 1s67 s GLY 94 CO 0.80 -0.06 0.77 1.03 0.00 0.00 0.00 173.10 175.64 1s67 n MET 95 N -3.53 -5.22 0.00 2.90 2.81 -1.26 -4.77 117.12 108.04 1s67 n MET 95 Ca 0.07 0.64 -0.20 0.00 -1.81 0.00 0.00 57.70 56.41 1s67 n MET 95 Cb 0.60 -5.29 -0.14 0.00 -0.71 0.00 0.00 33.22 27.68 1s67 n MET 95 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1s67 n SER 96 N -3.04 1.98 -5.00 7.83 3.41 -1.26 -4.49 113.62 113.05 1s67 n SER 96 Ca -0.25 0.23 -0.19 0.00 -0.26 0.00 0.00 58.87 58.39 1s67 n SER 96 Cb 0.66 -0.76 0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1s67 n SER 96 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1s67 s ARG 97 N -2.56 2.38 0.28 4.33 1.81 -1.26 -4.86 118.95 119.07 1s67 s ARG 97 Ca -0.20 -1.50 -0.30 0.00 -1.72 0.00 0.00 55.73 52.01 1s67 s ARG 97 Cb 0.07 -2.65 -0.12 0.00 -0.45 0.00 0.00 34.95 31.81 1s67 s ARG 97 CO 0.77 -0.77 1.62 0.39 -0.68 0.00 0.00 175.30 176.63 1s67 n GLU 98 N -2.20 2.74 -4.23 3.54 4.71 -1.26 -4.69 120.64 119.24 1s67 n GLU 98 Ca 0.14 0.98 -0.18 0.00 -0.01 0.00 0.00 57.16 58.08 1s67 n GLU 98 Cb 0.61 -2.77 -0.11 0.00 -1.01 0.00 0.00 31.44 28.15 1s67 n GLU 98 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1s67 s LEU 99 N -0.26 2.37 -0.49 -4.62 1.43 -1.15 -4.97 118.68 110.99 1s67 s LEU 99 Ca 0.65 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 1s67 s LEU 99 Cb -0.49 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.20 1s67 s LEU 99 CO 0.46 -0.11 0.75 -1.58 0.23 0.00 0.00 176.35 176.10 1s67 s GLN 100 N -2.39 3.28 0.08 1.70 0.74 -1.26 -2.28 119.66 119.53 1s67 s GLN 100 Ca 0.06 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.77 1s67 s GLN 100 Cb -0.06 -4.01 -0.05 0.00 1.10 0.00 0.00 33.01 29.98 1s67 s GLN 100 CO 0.03 -1.22 0.91 -1.17 -0.55 0.00 0.00 175.29 173.29 1s67 s LEU 101 N 3.18 4.47 -0.15 3.68 0.20 -0.87 -4.80 118.68 124.39 1s67 s LEU 101 Ca 0.24 1.69 -0.06 0.00 0.69 0.00 0.00 54.13 56.69 1s67 s LEU 101 Cb -0.15 -3.49 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 1s67 s LEU 101 CO 0.18 -0.07 0.05 -0.70 -0.29 0.00 0.00 176.35 175.53 1s67 s GLU 102 N 0.10 3.67 0.51 1.98 2.12 -1.26 -2.48 118.70 123.34 1s67 s GLU 102 Ca 0.45 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 1s67 s GLU 102 Cb -0.22 -3.10 0.11 0.00 0.26 0.00 0.00 34.13 31.17 1s67 s GLU 102 CO 0.28 0.44 0.70 1.63 -0.54 0.00 0.00 175.26 177.77 1s67 n LYS 103 N 3.00 -0.19 -0.08 4.30 5.02 -0.92 -4.82 118.16 124.47 1s67 n LYS 103 Ca -0.18 -1.55 -0.12 0.00 -2.02 0.00 0.00 58.31 54.45 1s67 n LYS 103 Cb 0.53 -0.57 -0.05 0.00 -0.02 0.00 0.00 35.03 34.91 1s67 n LYS 103 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1s67 h LYS 104 N 0.00 0.48 0.00 1.97 3.64 -1.58 -3.18 116.57 117.90 1s67 h LYS 104 Ca -0.23 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1s67 h LYS 104 Cb 0.75 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1s67 h LYS 104 CO 0.21 0.75 0.00 -0.40 -2.27 0.00 0.00 179.45 177.74 1s67 n ASP 105 N -4.51 0.23 0.00 4.20 5.75 -1.26 -4.90 116.55 116.05 1s67 n ASP 105 Ca -0.04 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1s67 n ASP 105 Cb 0.34 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1s67 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s67 n GLY 106 N 0.38 3.00 3.74 6.12 0.00 -1.20 -5.09 105.19 112.13 1s67 n GLY 106 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1s67 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s67 s SER 107 N -1.39 4.09 -0.04 1.61 1.04 -1.26 -4.70 113.70 113.05 1s67 s SER 107 Ca 0.00 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.49 1s67 s SER 107 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1s67 s SER 107 CO 0.00 -2.32 -0.15 -0.54 0.98 0.00 0.00 173.24 171.21 1s67 s LYS 108 N -4.60 1.59 0.11 4.02 1.02 -1.26 -2.17 119.74 118.44 1s67 s LYS 108 Ca 0.65 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 56.18 1s67 s LYS 108 Cb -0.21 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1s67 s LYS 108 CO 0.53 0.22 -0.21 0.96 -0.92 0.00 0.00 175.35 175.93 1s67 s ILE 109 N 0.05 1.79 0.22 2.17 -4.36 -1.03 -5.02 121.20 115.01 1s67 s ILE 109 Ca -0.03 -1.60 -0.17 0.00 -0.26 0.00 0.00 60.65 58.59 1s67 s ILE 109 Cb -0.11 -1.63 -0.08 0.00 1.25 0.00 0.00 42.46 41.89 1s67 s ILE 109 CO 0.02 -0.07 0.67 0.26 0.24 0.00 0.00 174.94 176.06 1s67 s TRP 110 N -1.23 3.59 0.35 1.37 0.52 -1.26 -2.04 118.94 120.23 1s67 s TRP 110 Ca 0.08 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.48 1s67 s TRP 110 Cb -0.10 -2.52 -0.01 0.00 -1.15 0.00 0.00 33.47 29.69 1s67 s TRP 110 CO 0.05 0.32 0.40 0.25 0.02 0.00 0.00 176.95 177.99 1s67 n THR 111 N 0.54 0.00 -3.69 2.01 -2.24 -0.96 -1.90 114.28 108.04 1s67 n THR 111 Ca -0.02 -2.15 -0.23 0.00 -2.27 0.00 0.00 64.05 59.38 1s67 n THR 111 Cb 0.52 1.19 -0.17 0.00 -2.10 0.00 0.00 70.33 69.76 1s67 n THR 111 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s67 s ARG 112 N -3.09 0.20 -0.12 -0.78 6.06 -0.93 -2.91 118.95 117.37 1s67 s ARG 112 Ca 0.35 0.11 -0.10 0.00 -2.50 0.00 0.00 55.73 53.60 1s67 s ARG 112 Cb 0.00 -1.13 -0.05 0.00 0.06 0.00 0.00 34.95 33.84 1s67 s ARG 112 CO 0.25 -0.44 0.21 -0.06 -2.50 0.00 0.00 175.30 172.76 1s67 s PHE 113 N 2.08 3.57 -0.69 5.12 0.08 -1.26 -2.88 117.98 124.01 1s67 s PHE 113 Ca 0.04 0.59 0.05 0.00 0.12 0.00 0.00 56.93 57.73 1s67 s PHE 113 Cb -0.14 -2.10 0.18 0.00 -0.57 0.00 0.00 43.02 40.39 1s67 s PHE 113 CO -0.06 0.57 0.53 0.00 -0.10 0.00 0.00 175.22 176.17 1s67 n ALA 114 N 2.44 3.51 -1.76 5.36 0.00 -0.58 -4.66 120.51 124.83 1s67 n ALA 114 Ca -0.17 -4.55 -0.39 0.00 0.00 0.00 0.00 53.44 48.33 1s67 n ALA 114 Cb 0.54 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 1s67 n ALA 114 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1s67 s LEU 115 N -1.61 4.50 -0.08 0.00 2.96 -1.26 -3.39 118.68 119.79 1s67 s LEU 115 Ca 0.27 2.02 -0.03 0.00 -0.22 0.00 0.00 54.13 56.17 1s67 s LEU 115 Cb -0.01 -3.77 0.04 0.00 0.50 0.00 0.00 46.19 42.95 1s67 s LEU 115 CO -0.15 -0.04 0.17 -0.44 -1.32 0.00 0.00 176.35 174.57 1s67 s SER 116 N -1.25 -0.02 0.13 3.68 0.01 -1.01 -4.62 113.70 110.63 1s67 s SER 116 Ca 0.46 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.78 1s67 s SER 116 Cb -0.25 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 66.17 1s67 s SER 116 CO 0.32 -0.17 1.14 -0.75 0.41 0.00 0.00 173.24 174.19 1s67 s LYS 117 N 1.38 4.53 -0.29 12.44 2.20 -1.26 -2.06 119.74 136.68 1s67 s LYS 117 Ca -0.07 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1s67 s LYS 117 Cb -0.11 -3.30 0.09 0.00 -1.51 0.00 0.00 37.83 32.99 1s67 s LYS 117 CO -0.07 -0.05 0.05 0.08 -0.36 0.00 0.00 175.35 175.00 1s67 s VAL 118 N 0.23 1.29 -0.78 4.02 1.01 -1.09 -4.98 120.40 120.10 1s67 s VAL 118 Ca 0.53 -1.49 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1s67 s VAL 118 Cb -0.29 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1s67 s VAL 118 CO 0.33 -0.49 1.68 -0.55 0.00 0.00 0.00 175.10 176.07 1s67 s SER 119 N 1.44 5.64 -0.02 3.32 0.15 -1.26 -2.04 113.70 120.93 1s67 s SER 119 Ca 0.06 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1s67 s SER 119 Cb -0.18 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1s67 s SER 119 CO -0.16 -2.21 -0.03 0.00 1.20 0.00 0.00 173.24 172.04 1s67 s ALA 120 N 7.91 0.40 -1.39 5.45 0.00 -1.06 -4.85 121.76 128.22 1s67 s ALA 120 Ca 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1s67 s ALA 120 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1s67 s ALA 120 CO 0.09 0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.28 1s67 n GLU 121 N 3.40 -1.17 -1.88 0.00 -0.58 -1.26 -2.51 120.64 116.64 1s67 n GLU 121 Ca -0.18 0.82 -0.09 0.00 -0.42 0.00 0.00 57.16 57.29 1s67 n GLU 121 Cb 0.55 -5.11 -0.02 0.00 -0.57 0.00 0.00 31.44 26.30 1s67 n GLU 121 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s67 n GLY 122 N -1.04 0.35 3.38 0.62 0.00 -1.26 -5.01 105.19 102.22 1s67 n GLY 122 Ca -0.17 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 1s67 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s67 s LYS 123 N -3.92 1.77 -0.17 1.61 1.02 -1.04 -5.16 119.74 113.85 1s67 s LYS 123 Ca 0.00 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 54.08 1s67 s LYS 123 Cb 0.00 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1s67 s LYS 123 CO 0.00 -0.69 0.05 0.08 -0.92 0.00 0.00 175.35 173.87 1s67 s VAL 124 N -3.35 4.70 0.48 3.17 1.01 -1.26 -2.57 120.40 122.58 1s67 s VAL 124 Ca 0.35 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1s67 s VAL 124 Cb 0.01 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1s67 s VAL 124 CO 0.22 0.48 0.04 -0.31 0.00 0.00 0.00 175.10 175.53 1s67 s TYR 125 N 0.23 1.85 -0.17 5.22 1.51 -0.86 -3.18 117.35 121.95 1s67 s TYR 125 Ca 0.03 -1.05 -0.06 0.00 -1.01 0.00 0.00 57.07 54.99 1s67 s TYR 125 Cb -0.12 -1.48 0.08 0.00 -0.11 0.00 0.00 41.96 40.32 1s67 s TYR 125 CO 0.01 0.08 0.35 0.71 -1.11 0.00 0.00 175.55 175.58 1s67 s TYR 126 N -2.97 -0.62 -0.28 2.71 1.51 -1.07 -2.66 117.35 113.97 1s67 s TYR 126 Ca 0.11 1.26 -0.07 0.00 -1.01 0.00 0.00 57.07 57.35 1s67 s TYR 126 Cb 0.02 0.14 -0.01 0.00 -0.11 0.00 0.00 41.96 42.00 1s67 s TYR 126 CO 0.06 -0.43 0.09 -1.17 -1.11 0.00 0.00 175.55 172.99 1s67 s LEU 127 N 2.52 3.71 -0.46 -1.29 2.96 -0.88 -2.13 118.68 123.12 1s67 s LEU 127 Ca -0.00 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 1s67 s LEU 127 Cb -0.12 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.73 1s67 s LEU 127 CO -0.11 -0.13 0.36 0.00 -1.32 0.00 0.00 176.35 175.15 1s67 s ALA 128 N 1.56 3.48 -0.32 5.97 0.00 -1.12 -2.40 121.76 128.94 1s67 s ALA 128 Ca 0.05 -2.16 -0.23 0.00 0.00 0.00 0.00 51.96 49.61 1s67 s ALA 128 Cb -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1s67 s ALA 128 CO 0.03 -1.72 0.79 -0.51 0.00 0.00 0.00 175.76 174.35 1s67 s LEU 129 N 1.56 4.09 0.06 0.00 1.43 -1.22 -3.02 118.68 121.60 1s67 s LEU 129 Ca 0.04 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.81 1s67 s LEU 129 Cb -0.24 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1s67 s LEU 129 CO 0.05 -0.64 -0.19 -0.69 0.23 0.00 0.00 176.35 175.11 1s67 s VAL 130 N 2.99 2.74 0.06 -1.59 1.01 -0.85 -1.52 120.40 123.24 1s67 s VAL 130 Ca 0.32 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1s67 s VAL 130 Cb -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1s67 s VAL 130 CO 0.13 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.50 1s67 s ARG 131 N -1.63 0.65 -0.26 2.72 1.70 -1.14 -1.28 118.95 119.71 1s67 s ARG 131 Ca 0.15 -1.19 -0.28 0.00 -0.47 0.00 0.00 55.73 53.94 1s67 s ARG 131 Cb -0.10 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.51 1s67 s ARG 131 CO 0.06 -0.14 1.02 0.34 -1.08 0.00 0.00 175.30 175.51 1s67 s ASP 132 N -2.92 7.01 -0.45 -2.89 3.68 -1.26 -2.20 116.67 117.64 1s67 s ASP 132 Ca 0.07 1.23 0.04 0.00 2.13 0.00 0.00 52.55 56.03 1s67 s ASP 132 Cb 0.08 -2.53 0.43 0.00 -1.45 0.00 0.00 42.92 39.45 1s67 s ASP 132 CO -0.10 -0.71 1.30 0.00 0.13 0.00 0.00 175.17 175.79 1s67 n ALA 133 N 6.44 5.30 1.52 3.66 0.00 -0.80 -4.94 120.51 131.69 1s67 n ALA 133 Ca 0.11 -4.06 0.12 0.00 0.00 0.00 0.00 53.44 49.61 1s67 n ALA 133 Cb 0.47 -0.71 0.72 0.00 0.00 0.00 0.00 19.45 19.93 1s67 n ALA 133 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93