#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij5 n THR 4 N 0.00 2.53 -3.72 3.41 -1.04 -1.26 -5.00 114.28 109.21 3ij5 n THR 4 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 3ij5 n THR 4 Cb 0.00 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 3ij5 n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ij5 s ALA 5 N -1.17 3.80 0.19 2.41 0.00 -1.26 -5.03 121.76 120.71 3ij5 s ALA 5 Ca 0.59 -0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.17 3ij5 s ALA 5 Cb -0.46 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 3ij5 s ALA 5 CO 0.59 0.56 -0.18 0.71 0.00 0.00 0.00 175.76 177.45 3ij5 s TYR 6 N -1.06 1.88 -0.12 0.00 1.51 -1.26 -0.74 117.35 117.56 3ij5 s TYR 6 Ca 0.19 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3ij5 s TYR 6 Cb -0.14 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 3ij5 s TYR 6 CO 0.08 0.40 -0.21 0.42 -1.11 0.00 0.00 175.55 175.14 3ij5 s ILE 7 N -2.37 1.91 0.44 2.71 -1.09 -0.09 -4.88 121.20 117.83 3ij5 s ILE 7 Ca 0.20 -0.90 -0.24 0.00 -2.23 0.00 0.00 60.65 57.47 3ij5 s ILE 7 Cb -0.04 -1.69 -0.08 0.00 -1.58 0.00 0.00 42.46 39.07 3ij5 s ILE 7 CO 0.08 0.52 1.25 -1.81 -1.23 0.00 0.00 174.94 173.76 3ij5 s ASP 8 N 0.72 6.14 0.21 3.58 1.01 -1.26 -0.85 116.67 126.23 3ij5 s ASP 8 Ca -0.10 2.53 -0.00 0.00 0.71 0.00 0.00 52.55 55.68 3ij5 s ASP 8 Cb -0.16 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 3ij5 s ASP 8 CO 0.01 -0.95 0.12 0.42 0.21 0.00 0.00 175.17 174.98 3ij5 s THR 9 N -1.37 0.15 -0.96 -1.27 -4.23 -1.05 -4.88 115.64 102.03 3ij5 s THR 9 Ca 0.61 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3ij5 s THR 9 Cb -0.35 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.06 3ij5 s THR 9 CO 0.43 -0.02 1.29 0.00 -0.54 0.00 0.00 174.62 175.78 3ij5 n TYR 11 N -1.55 0.13 0.00 0.00 4.01 -1.26 -5.09 117.16 113.40 3ij5 n TYR 11 Ca 0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3ij5 n TYR 11 Cb 0.10 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3ij5 n TYR 11 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ij5 n GLY 12 N 1.03 0.90 3.77 2.72 0.00 -0.34 -4.91 105.19 108.35 3ij5 n GLY 12 Ca 0.12 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3ij5 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ij5 n PRO 13 N -0.53 2.65 -4.51 1.61 -0.04 -1.26 -2.54 135.00 130.38 3ij5 n PRO 13 Ca 0.00 0.93 -0.26 0.00 -0.04 0.00 0.00 63.50 64.13 3ij5 n PRO 13 Cb 0.00 -2.66 -0.17 0.00 -0.04 0.00 0.00 33.50 30.63 3ij5 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ij5 s VAL 14 N -0.99 1.23 0.42 0.52 1.01 -0.03 -4.92 120.40 117.65 3ij5 s VAL 14 Ca 0.55 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 3ij5 s VAL 14 Cb -0.48 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 3ij5 s VAL 14 CO 0.62 0.38 1.34 0.00 0.00 0.00 0.00 175.10 177.44 3ij5 n ALA 15 N 4.01 1.59 -0.19 5.51 0.00 -1.26 -0.91 120.51 129.26 3ij5 n ALA 15 Ca -0.21 0.28 0.18 0.00 0.00 0.00 0.00 53.44 53.69 3ij5 n ALA 15 Cb 0.51 -2.31 0.52 0.00 0.00 0.00 0.00 19.45 18.17 3ij5 n ALA 15 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ij5 h ASP 16 N 2.27 0.37 -0.79 0.00 5.19 -1.27 -0.84 116.42 121.36 3ij5 h ASP 16 Ca -0.49 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3ij5 h ASP 16 Cb 1.28 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 3ij5 h ASP 16 CO 0.61 0.17 0.50 -0.78 -3.12 0.00 0.00 179.24 176.62 3ij5 h ASP 17 N 0.39 0.92 -0.39 6.45 3.58 -1.90 -1.30 116.42 124.17 3ij5 h ASP 17 Ca 0.41 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.68 3ij5 h ASP 17 Cb 1.02 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 3ij5 h ASP 17 CO -0.14 0.68 -0.31 0.58 -2.88 0.00 0.00 179.24 177.18 3ij5 h VAL 18 N 1.07 1.28 -0.36 2.25 2.07 -1.53 -2.25 116.25 118.77 3ij5 h VAL 18 Ca 0.29 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3ij5 h VAL 18 Cb -0.09 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3ij5 h VAL 18 CO -0.06 0.49 0.24 0.40 0.02 0.00 0.00 177.57 178.66 3ij5 h ILE 19 N 0.70 1.09 -0.90 4.57 1.08 -1.17 0.07 117.51 122.96 3ij5 h ILE 19 Ca 0.07 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3ij5 h ILE 19 Cb 0.89 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3ij5 h ILE 19 CO 0.08 0.09 0.50 1.56 -0.69 0.00 0.00 178.15 179.69 3ij5 h GLN 20 N 0.49 1.24 -0.74 2.37 1.08 -1.16 -0.59 115.11 117.80 3ij5 h GLN 20 Ca 0.13 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3ij5 h GLN 20 Cb -0.06 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.09 3ij5 h GLN 20 CO -0.03 0.90 0.30 0.00 -0.95 0.00 0.00 178.83 179.05 3ij5 h ARG 21 N 1.25 1.11 -0.01 1.46 3.08 -1.04 -2.92 114.38 117.31 3ij5 h ARG 21 Ca 0.32 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3ij5 h ARG 21 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3ij5 h ARG 21 CO -0.05 0.91 -0.42 0.00 -1.07 0.00 0.00 179.97 179.33 3ij5 h ALA 22 N 1.15 1.28 0.00 0.04 0.00 -0.33 -2.88 119.26 118.51 3ij5 h ALA 22 Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ij5 h ALA 22 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ij5 h ALA 22 CO -0.02 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 3ij5 h ALA 23 N 1.56 1.12 -0.02 0.00 0.00 -0.92 -2.90 119.26 118.10 3ij5 h ALA 23 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ij5 h ALA 23 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ij5 h ALA 23 CO 0.06 0.05 -0.11 0.09 0.00 0.00 0.00 179.25 179.33 3ij5 n ASN 24 N -3.31 2.37 -4.72 0.00 3.02 -1.09 -4.79 115.26 106.75 3ij5 n ASN 24 Ca -0.02 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 3ij5 n ASN 24 Cb 0.18 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 3ij5 n ASN 24 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ij5 s ILE 25 N -2.12 3.48 0.00 2.41 -1.09 -1.10 -4.38 121.20 118.40 3ij5 s ILE 25 Ca 0.28 1.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 3ij5 s ILE 25 Cb 0.20 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3ij5 s ILE 25 CO 0.37 0.09 0.00 0.54 -1.23 0.00 0.00 174.94 174.71 3ij5 n ARG 26 N 3.84 3.04 -3.74 2.79 5.12 0.39 -5.00 116.66 123.10 3ij5 n ARG 26 Ca 0.10 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.88 3ij5 n ARG 26 Cb 0.43 -0.75 -0.15 0.00 -1.16 0.00 0.00 32.46 30.83 3ij5 n ARG 26 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ij5 s LEU 27 N -2.40 0.67 -0.19 0.55 2.96 -0.98 -1.74 118.68 117.56 3ij5 s LEU 27 Ca 0.00 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3ij5 s LEU 27 Cb 0.00 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.99 3ij5 s LEU 27 CO 0.00 -0.16 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.58 3ij5 s LEU 28 N 1.28 2.86 -0.16 -0.68 2.96 0.17 -0.91 118.68 124.20 3ij5 s LEU 28 Ca -0.08 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3ij5 s LEU 28 Cb -0.12 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3ij5 s LEU 28 CO -0.06 0.06 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.33 3ij5 s ILE 29 N 1.02 3.52 -0.06 6.68 1.01 0.42 -0.34 121.20 133.46 3ij5 s ILE 29 Ca -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.21 3ij5 s ILE 29 Cb -0.15 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 3ij5 s ILE 29 CO -0.00 0.49 -0.18 0.00 0.00 0.00 0.00 174.94 175.24 3ij5 s ASP 31 N -0.45 4.24 -0.01 0.00 2.15 -0.89 -2.17 116.67 119.54 3ij5 s ASP 31 Ca 0.05 0.57 -0.02 0.00 0.43 0.00 0.00 52.55 53.58 3ij5 s ASP 31 Cb -0.12 -0.98 -0.01 0.00 -0.30 0.00 0.00 42.92 41.51 3ij5 s ASP 31 CO 0.02 -2.03 -0.03 0.52 -0.17 0.00 0.00 175.17 173.47 3ij5 n VAL 32 N -3.33 0.19 -1.87 1.11 0.31 -1.26 -4.17 118.33 109.30 3ij5 n VAL 32 Ca 0.10 0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 64.32 3ij5 n VAL 32 Cb 0.61 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 3ij5 n VAL 32 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3ij5 s ASP 33 N -4.55 6.57 0.00 4.52 1.01 -1.26 -0.02 116.67 122.94 3ij5 s ASP 33 Ca -0.03 2.47 0.00 0.00 0.71 0.00 0.00 52.55 55.70 3ij5 s ASP 33 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3ij5 s ASP 33 CO 0.04 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.07 3ij5 n GLY 34 N 4.21 1.40 0.86 0.21 0.00 -0.97 -4.77 105.19 106.14 3ij5 n GLY 34 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 3ij5 n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ij5 n VAL 35 N -2.00 1.05 0.76 1.61 0.31 -0.60 -4.08 118.33 115.38 3ij5 n VAL 35 Ca 0.00 0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.77 3ij5 n VAL 35 Cb 0.00 -1.61 0.33 0.00 -0.91 0.00 0.00 33.84 31.65 3ij5 n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3ij5 n MET 36 N -3.46 0.16 -4.43 5.55 2.81 0.97 -2.10 117.12 116.63 3ij5 n MET 36 Ca -0.02 0.08 -0.21 0.00 -1.81 0.00 0.00 57.70 55.74 3ij5 n MET 36 Cb 0.08 -1.64 -0.09 0.00 -0.71 0.00 0.00 33.22 30.86 3ij5 n MET 36 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3ij5 s SER 37 N -3.79 2.14 -0.03 7.83 1.04 -1.12 -3.92 113.70 115.84 3ij5 s SER 37 Ca 0.10 -1.51 0.06 0.00 0.48 0.00 0.00 55.95 55.08 3ij5 s SER 37 Cb 0.15 0.25 0.24 0.00 0.10 0.00 0.00 66.02 66.76 3ij5 s SER 37 CO 0.65 -0.79 1.07 -0.90 0.98 0.00 0.00 173.24 174.24 3ij5 n ASP 38 N -0.91 1.81 0.00 7.02 5.75 -1.25 -2.28 116.55 126.70 3ij5 n ASP 38 Ca -0.02 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3ij5 n ASP 38 Cb 0.66 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3ij5 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ij5 n GLY 39 N 0.61 0.75 3.88 6.12 0.00 -1.26 -4.68 105.19 110.61 3ij5 n GLY 39 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3ij5 n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ij5 s LEU 40 N 0.00 4.35 -0.17 0.99 1.43 -1.26 -4.77 118.68 119.25 3ij5 s LEU 40 Ca 0.00 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3ij5 s LEU 40 Cb 0.00 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.34 3ij5 s LEU 40 CO 0.00 0.19 -0.19 -0.63 0.23 0.00 0.00 176.35 175.95 3ij5 s ILE 41 N -1.40 2.21 -0.19 -0.59 -1.09 -1.26 -4.70 121.20 114.18 3ij5 s ILE 41 Ca 0.32 -0.90 -0.17 0.00 -2.23 0.00 0.00 60.65 57.66 3ij5 s ILE 41 Cb -0.13 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 3ij5 s ILE 41 CO 0.19 0.53 0.47 -0.31 -1.23 0.00 0.00 174.94 174.59 3ij5 s TYR 42 N 1.11 3.39 -0.02 3.97 2.02 -0.72 -4.98 117.35 122.13 3ij5 s TYR 42 Ca 0.00 0.73 0.06 0.00 -0.37 0.00 0.00 57.07 57.50 3ij5 s TYR 42 Cb -0.14 -2.60 -0.02 0.00 -0.40 0.00 0.00 41.96 38.80 3ij5 s TYR 42 CO -0.08 -0.03 -0.21 -1.64 -1.57 0.00 0.00 175.55 172.02 3ij5 s MET 43 N 1.37 1.72 0.37 -0.62 -1.94 -1.26 -1.48 119.30 117.46 3ij5 s MET 43 Ca 0.22 -0.75 0.08 0.00 -1.71 0.00 0.00 55.69 53.54 3ij5 s MET 43 Cb -0.15 -1.66 -0.07 0.00 2.01 0.00 0.00 34.83 34.96 3ij5 s MET 43 CO 0.09 0.45 -0.01 0.20 -0.01 0.00 0.00 175.02 175.74 3ij5 s GLY 44 N -0.48 2.27 0.41 -0.03 0.00 -0.41 -4.97 107.32 104.10 3ij5 s GLY 44 Ca 0.08 -2.13 0.29 0.00 0.00 0.00 0.00 44.72 42.96 3ij5 s GLY 44 CO -0.01 -2.01 1.87 3.43 0.00 0.00 0.00 173.10 176.38 3ij5 h ASN 45 N 1.84 0.00 -0.45 1.64 2.35 -2.01 -2.48 115.58 116.46 3ij5 h ASN 45 Ca -0.43 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 3ij5 h ASN 45 Cb 1.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 3ij5 h ASN 45 CO 0.73 0.00 0.02 0.00 -1.65 0.00 0.00 177.43 176.53 3ij5 n GLN 46 N -2.61 3.92 -0.97 0.81 3.00 -1.26 -4.93 117.38 115.35 3ij5 n GLN 46 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 3ij5 n GLN 46 Cb 0.20 -2.08 0.00 0.00 0.00 0.00 0.00 30.24 28.36 3ij5 n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ij5 n GLY 47 N 0.04 0.50 3.77 1.08 0.00 -0.93 -5.02 105.19 104.63 3ij5 n GLY 47 Ca 0.26 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3ij5 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij5 s GLU 48 N -0.21 3.01 -0.08 1.61 8.01 -1.26 -4.82 118.70 124.97 3ij5 s GLU 48 Ca 0.00 1.49 -0.04 0.00 0.01 0.00 0.00 54.97 56.43 3ij5 s GLU 48 Cb 0.00 -1.97 0.04 0.00 -4.31 0.00 0.00 34.13 27.89 3ij5 s GLU 48 CO 0.00 -1.10 0.17 -2.00 0.01 0.00 0.00 175.26 172.34 3ij5 s GLU 49 N -3.77 0.13 0.14 1.61 2.12 -1.26 -1.29 118.70 116.37 3ij5 s GLU 49 Ca 0.69 0.40 0.05 0.00 0.36 0.00 0.00 54.97 56.47 3ij5 s GLU 49 Cb -0.22 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.98 3ij5 s GLU 49 CO 0.36 -0.16 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.30 3ij5 s LEU 50 N 1.13 2.50 -0.00 2.70 1.02 -0.55 -4.99 118.68 120.49 3ij5 s LEU 50 Ca -0.09 -0.96 -0.02 0.00 0.02 0.00 0.00 54.13 53.07 3ij5 s LEU 50 Cb -0.11 -0.37 -0.01 0.00 0.02 0.00 0.00 46.19 45.73 3ij5 s LEU 50 CO -0.06 -0.30 0.04 -0.75 0.02 0.00 0.00 176.35 175.30 3ij5 s LYS 51 N -3.50 0.26 -0.17 1.70 2.20 -1.26 -1.76 119.74 117.20 3ij5 s LYS 51 Ca 0.14 -0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.40 3ij5 s LYS 51 Cb 0.01 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 3ij5 s LYS 51 CO 0.01 -0.05 0.01 0.00 -0.36 0.00 0.00 175.35 174.96 3ij5 s ALA 52 N -0.88 3.17 0.23 3.13 0.00 -1.26 -5.07 121.76 121.08 3ij5 s ALA 52 Ca -0.10 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.13 3ij5 s ALA 52 Cb -0.06 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3ij5 s ALA 52 CO -0.00 0.14 -0.00 -0.06 0.00 0.00 0.00 175.76 175.83 3ij5 s PHE 53 N 0.48 2.75 -0.19 0.00 0.08 -1.26 -4.33 117.98 115.50 3ij5 s PHE 53 Ca -0.00 -0.20 -0.07 0.00 0.12 0.00 0.00 56.93 56.78 3ij5 s PHE 53 Cb -0.14 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 3ij5 s PHE 53 CO 0.02 0.58 0.05 1.21 -0.10 0.00 0.00 175.22 176.98 3ij5 s ASN 54 N -3.41 5.46 0.45 1.36 3.84 -1.25 -5.00 114.94 116.39 3ij5 s ASN 54 Ca 0.30 0.02 0.13 0.00 0.21 0.00 0.00 52.86 53.52 3ij5 s ASN 54 Cb -0.07 -1.94 1.01 0.00 -0.55 0.00 0.00 41.25 39.70 3ij5 s ASN 54 CO 0.19 0.15 2.02 -0.37 -2.79 0.00 0.00 177.10 176.30 3ij5 h VAL 55 N 4.99 1.11 -0.58 -5.21 -1.51 -1.95 -1.83 116.25 111.27 3ij5 h VAL 55 Ca -0.36 -0.46 -0.02 0.00 -1.23 0.00 0.00 66.70 64.62 3ij5 h VAL 55 Cb 1.17 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 3ij5 h VAL 55 CO 0.68 0.14 0.27 -0.09 -1.23 0.00 0.00 177.57 177.33 3ij5 h ARG 56 N 0.09 0.82 -0.48 5.19 2.43 -1.94 -1.75 114.38 118.74 3ij5 h ARG 56 Ca 0.02 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 3ij5 h ARG 56 Cb 0.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3ij5 h ARG 56 CO 0.01 0.65 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.45 3ij5 h ASP 57 N 0.82 1.02 -0.63 -3.80 3.32 -1.67 -2.76 116.42 112.71 3ij5 h ASP 57 Ca 0.20 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.90 3ij5 h ASP 57 Cb 0.10 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3ij5 h ASP 57 CO -0.03 1.19 0.37 1.23 -1.72 0.00 0.00 179.24 180.29 3ij5 h GLY 58 N 0.87 0.92 0.97 2.75 0.00 -1.12 -0.94 103.07 106.52 3ij5 h GLY 58 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3ij5 h GLY 58 CO 0.07 0.19 0.39 -1.82 0.00 0.00 0.00 176.54 175.37 3ij5 h TYR 59 N 0.70 0.73 -0.57 5.60 3.20 -1.22 -1.51 116.97 123.90 3ij5 h TYR 59 Ca 0.27 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3ij5 h TYR 59 Cb 0.11 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3ij5 h TYR 59 CO -0.07 0.45 0.32 0.78 -1.64 0.00 0.00 178.16 178.00 3ij5 h GLY 60 N 0.79 0.85 0.98 1.82 0.00 -1.13 -0.93 103.07 105.43 3ij5 h GLY 60 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3ij5 h GLY 60 CO -0.06 0.37 0.25 -2.22 0.00 0.00 0.00 176.54 174.88 3ij5 h ILE 61 N 0.77 1.15 -0.57 2.60 2.04 -0.84 -1.65 117.51 121.01 3ij5 h ILE 61 Ca 0.20 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3ij5 h ILE 61 Cb 0.04 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3ij5 h ILE 61 CO -0.03 0.16 0.26 0.03 0.00 0.00 0.00 178.15 178.56 3ij5 h ARG 62 N 0.58 0.80 -0.73 2.37 2.47 -1.07 -0.94 114.38 117.87 3ij5 h ARG 62 Ca 0.16 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3ij5 h ARG 62 Cb 0.03 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 3ij5 h ARG 62 CO -0.03 0.63 0.29 0.00 0.56 0.00 0.00 179.97 181.42 3ij5 h LEU 64 N 1.04 -0.31 -0.53 0.00 3.38 -0.55 -2.26 115.31 116.09 3ij5 h LEU 64 Ca 0.24 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3ij5 h LEU 64 Cb 0.22 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3ij5 h LEU 64 CO -0.02 -0.01 0.21 0.40 0.09 0.00 0.00 178.44 179.11 3ij5 h ILE 65 N -0.62 0.84 0.00 1.22 2.04 -1.08 -0.13 117.51 119.78 3ij5 h ILE 65 Ca -0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3ij5 h ILE 65 Cb 0.45 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3ij5 h ILE 65 CO 0.06 0.07 0.00 0.35 0.00 0.00 0.00 178.15 178.63 3ij5 n THR 66 N -4.97 0.58 -0.77 -0.27 -2.24 -0.56 -2.27 114.28 103.76 3ij5 n THR 66 Ca 0.06 0.14 0.08 0.00 -2.27 0.00 0.00 64.05 62.06 3ij5 n THR 66 Cb 0.20 -0.80 0.34 0.00 -2.10 0.00 0.00 70.33 67.97 3ij5 n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3ij5 n SER 67 N -1.45 4.77 -2.46 3.42 7.64 -0.22 -4.95 113.62 120.37 3ij5 n SER 67 Ca 0.06 -2.71 -0.17 0.00 1.01 0.00 0.00 58.87 57.05 3ij5 n SER 67 Cb 0.22 -0.58 0.03 0.00 -1.01 0.00 0.00 64.21 62.87 3ij5 n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ij5 n ASP 68 N 0.53 -5.12 -4.08 6.43 8.00 -0.96 -5.01 116.55 116.34 3ij5 n ASP 68 Ca 0.24 -0.26 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 3ij5 n ASP 68 Cb 0.96 -3.91 -0.16 0.00 -0.02 0.00 0.00 41.12 37.99 3ij5 n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ij5 s ILE 69 N -3.07 1.91 0.52 0.53 1.01 -0.26 -5.00 121.20 116.84 3ij5 s ILE 69 Ca 0.28 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 3ij5 s ILE 69 Cb -0.12 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 3ij5 s ILE 69 CO 0.34 0.41 1.14 -1.81 0.00 0.00 0.00 174.94 175.03 3ij5 s ASP 70 N 1.33 5.81 -0.05 3.58 1.01 -0.71 -2.94 116.67 124.70 3ij5 s ASP 70 Ca 0.03 2.23 0.02 0.00 0.71 0.00 0.00 52.55 55.54 3ij5 s ASP 70 Cb -0.14 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.21 3ij5 s ASP 70 CO -0.11 -1.16 -0.11 -0.69 0.21 0.00 0.00 175.17 173.31 3ij5 s VAL 71 N -1.70 1.00 0.11 -1.27 1.01 -1.26 -0.65 120.40 117.65 3ij5 s VAL 71 Ca 0.71 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.31 3ij5 s VAL 71 Cb -0.26 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3ij5 s VAL 71 CO 0.29 0.32 -0.10 0.00 0.00 0.00 0.00 175.10 175.61 3ij5 s ALA 72 N 0.58 1.25 -0.07 5.51 0.00 0.54 -4.38 121.76 125.20 3ij5 s ALA 72 Ca -0.12 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.58 3ij5 s ALA 72 Cb -0.14 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3ij5 s ALA 72 CO 0.03 -0.05 -0.16 0.42 0.00 0.00 0.00 175.76 176.00 3ij5 s ILE 73 N -2.72 1.39 -0.10 0.00 1.01 -0.38 -0.73 121.20 119.68 3ij5 s ILE 73 Ca 0.09 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 3ij5 s ILE 73 Cb -0.01 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.25 3ij5 s ILE 73 CO 0.00 0.41 -0.08 -0.63 0.00 0.00 0.00 174.94 174.65 3ij5 s ILE 74 N 0.44 1.00 0.02 2.92 1.01 -0.92 -0.80 121.20 124.87 3ij5 s ILE 74 Ca -0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3ij5 s ILE 74 Cb -0.15 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 3ij5 s ILE 74 CO 0.04 0.36 0.04 0.28 0.00 0.00 0.00 174.94 175.66 3ij5 s THR 75 N 1.56 0.12 -0.50 2.92 -1.32 -0.13 -4.31 115.64 113.98 3ij5 s THR 75 Ca 0.02 -0.95 0.24 0.00 -1.21 0.00 0.00 61.69 59.79 3ij5 s THR 75 Cb -0.13 -0.51 0.24 0.00 -1.51 0.00 0.00 72.50 70.59 3ij5 s THR 75 CO -0.06 -0.52 1.52 1.23 -2.21 0.00 0.00 174.62 174.58 3ij5 h GLY 76 N 4.26 0.00 -1.12 6.08 0.00 -1.86 -1.41 103.07 109.03 3ij5 h GLY 76 Ca -0.32 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.55 3ij5 h GLY 76 CO 0.44 0.00 0.23 0.50 0.00 0.00 0.00 176.54 177.72 3ij5 s ARG 77 N -3.20 2.22 -0.06 4.80 0.52 -1.26 -3.59 118.95 118.37 3ij5 s ARG 77 Ca 0.07 -0.24 -0.03 0.00 -0.52 0.00 0.00 55.73 55.01 3ij5 s ARG 77 Cb 0.08 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.43 3ij5 s ARG 77 CO 0.68 -1.23 0.12 0.50 0.02 0.00 0.00 175.30 175.38 3ij5 s ARG 78 N -5.25 -0.00 -0.25 3.54 3.52 -1.26 -0.93 118.95 118.33 3ij5 s ARG 78 Ca 0.60 0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 56.47 3ij5 s ARG 78 Cb -0.11 -0.33 0.07 0.00 -1.56 0.00 0.00 34.95 33.02 3ij5 s ARG 78 CO 0.45 -0.28 0.63 0.00 -0.81 0.00 0.00 175.30 175.28 3ij5 s ALA 79 N 2.00 -1.63 0.37 6.12 0.00 -1.26 -5.03 121.76 122.34 3ij5 s ALA 79 Ca 0.01 2.02 0.08 0.00 0.00 0.00 0.00 51.96 54.07 3ij5 s ALA 79 Cb -0.12 -1.19 0.80 0.00 0.00 0.00 0.00 23.12 22.61 3ij5 s ALA 79 CO -0.05 -0.33 1.93 -0.22 0.00 0.00 0.00 175.76 177.10 3ij5 h LYS 80 N 6.16 0.68 -0.61 0.00 1.63 -2.00 -1.62 116.57 120.81 3ij5 h LYS 80 Ca -0.30 -0.04 0.10 0.00 -0.85 0.00 0.00 60.65 59.56 3ij5 h LYS 80 Cb 1.19 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 3ij5 h LYS 80 CO 0.15 0.45 0.41 1.37 -3.45 0.00 0.00 179.45 178.38 3ij5 h LEU 81 N 0.70 0.35 -0.23 5.20 8.10 -1.95 -0.99 115.31 126.49 3ij5 h LEU 81 Ca 0.35 0.01 -0.21 0.00 0.11 0.00 0.00 57.88 58.14 3ij5 h LEU 81 Cb 0.44 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 40.60 3ij5 h LEU 81 CO -0.13 0.21 -0.79 0.25 -4.11 0.00 0.00 178.44 173.87 3ij5 h LEU 82 N 0.39 0.77 -0.77 0.17 5.85 -1.72 -0.77 115.31 119.24 3ij5 h LEU 82 Ca 0.28 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3ij5 h LEU 82 Cb 0.58 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3ij5 h LEU 82 CO -0.08 1.30 0.50 -0.33 -0.34 0.00 0.00 178.44 179.49 3ij5 h GLU 83 N 0.43 0.99 -0.34 1.25 5.08 -1.20 0.35 114.58 121.14 3ij5 h GLU 83 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ij5 h GLU 83 Cb 1.40 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3ij5 h GLU 83 CO 0.15 0.65 0.22 -0.44 -1.00 0.00 0.00 179.01 178.59 3ij5 h ASP 84 N 1.02 0.40 -0.45 1.42 3.32 -1.03 -0.29 116.42 120.80 3ij5 h ASP 84 Ca 0.29 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3ij5 h ASP 84 Cb -0.08 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3ij5 h ASP 84 CO -0.08 0.30 0.22 -0.09 -1.72 0.00 0.00 179.24 177.88 3ij5 h ARG 85 N 0.46 0.65 -0.67 3.56 9.65 -0.68 -1.76 114.38 125.58 3ij5 h ARG 85 Ca 0.12 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3ij5 h ARG 85 Cb -0.03 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 3ij5 h ARG 85 CO -0.03 0.54 0.36 0.00 2.80 0.00 0.00 179.97 183.65 3ij5 h ALA 86 N 1.07 0.86 -0.67 2.80 0.00 -0.74 -2.50 119.26 120.07 3ij5 h ALA 86 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ij5 h ALA 86 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ij5 h ALA 86 CO -0.02 0.37 0.44 -0.91 0.00 0.00 0.00 179.25 179.14 3ij5 h ASN 87 N 0.91 0.76 0.08 0.00 2.35 -0.78 -0.23 115.58 118.67 3ij5 h ASN 87 Ca 0.23 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3ij5 h ASN 87 Cb 0.04 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3ij5 h ASN 87 CO -0.04 0.55 -0.10 0.71 -1.65 0.00 0.00 177.43 176.91 3ij5 h THR 88 N 0.90 1.09 -0.02 2.81 1.35 -0.98 -2.36 112.91 115.71 3ij5 h THR 88 Ca 0.25 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3ij5 h THR 88 Cb -0.09 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3ij5 h THR 88 CO -0.06 0.12 -0.00 0.18 -0.25 0.00 0.00 175.52 175.51 3ij5 n LEU 89 N -4.40 2.00 -0.72 3.87 4.77 -0.91 -4.94 117.00 116.67 3ij5 n LEU 89 Ca -0.02 -0.67 -0.08 0.00 -0.03 0.00 0.00 56.01 55.21 3ij5 n LEU 89 Cb 0.19 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3ij5 n LEU 89 CO 0.36 0.33 -0.09 0.61 -1.33 0.00 0.00 177.39 177.27 3ij5 n GLY 90 N 1.24 0.80 3.66 -0.72 0.00 -0.71 -4.76 105.19 104.70 3ij5 n GLY 90 Ca 0.17 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3ij5 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ij5 s ILE 91 N -2.34 4.87 -0.66 -0.61 1.01 -0.18 -4.92 121.20 118.37 3ij5 s ILE 91 Ca 0.00 1.60 0.14 0.00 0.00 0.00 0.00 60.65 62.39 3ij5 s ILE 91 Cb 0.00 -4.13 -0.16 0.00 0.01 0.00 0.00 42.46 38.19 3ij5 s ILE 91 CO 0.00 0.01 0.60 0.35 0.00 0.00 0.00 174.94 175.90 3ij5 n THR 92 N 4.86 0.00 -3.49 2.92 -2.24 -1.26 -4.39 114.28 110.67 3ij5 n THR 92 Ca 0.05 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3ij5 n THR 92 Cb 0.48 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 3ij5 n THR 92 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ij5 s HIS 93 N -2.35 3.77 -0.14 4.78 3.76 -1.26 -5.02 115.29 118.83 3ij5 s HIS 93 Ca 0.05 -2.49 0.02 0.00 -0.15 0.00 0.00 55.06 52.50 3ij5 s HIS 93 Cb 0.11 -3.55 0.01 0.00 1.11 0.00 0.00 32.58 30.26 3ij5 s HIS 93 CO 0.58 -0.90 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.19 3ij5 s LEU 94 N -0.41 2.08 -0.20 0.89 2.96 -1.26 -1.24 118.68 121.50 3ij5 s LEU 94 Ca 0.21 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3ij5 s LEU 94 Cb -0.12 -1.42 0.05 0.00 0.50 0.00 0.00 46.19 45.20 3ij5 s LEU 94 CO -0.08 0.08 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.63 3ij5 s TYR 95 N 0.83 2.35 0.31 5.38 2.02 0.02 -4.99 117.35 123.26 3ij5 s TYR 95 Ca -0.07 -1.58 0.09 0.00 -0.37 0.00 0.00 57.07 55.14 3ij5 s TYR 95 Cb -0.15 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.76 3ij5 s TYR 95 CO -0.02 -0.74 0.00 -0.65 -1.57 0.00 0.00 175.55 172.58 3ij5 s GLN 96 N 1.42 2.14 -1.76 -0.62 -0.21 -1.26 -0.95 119.66 118.42 3ij5 s GLN 96 Ca -0.02 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 53.73 3ij5 s GLN 96 Cb -0.17 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.83 3ij5 s GLN 96 CO -0.08 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 3ij5 n GLY 97 N -0.93 0.58 3.47 3.09 0.00 -0.10 -4.93 105.19 106.36 3ij5 n GLY 97 Ca -0.05 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3ij5 n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ij5 s GLN 98 N -4.32 3.14 0.21 1.61 -1.52 -0.59 -4.88 119.66 113.30 3ij5 s GLN 98 Ca 0.00 -0.80 -0.04 0.00 -1.95 0.00 0.00 55.36 52.57 3ij5 s GLN 98 Cb 0.00 -4.26 0.16 0.00 -0.22 0.00 0.00 33.01 28.69 3ij5 s GLN 98 CO 0.00 -1.86 1.57 1.03 -0.25 0.00 0.00 175.29 175.78 3ij5 h SER 99 N 9.60 0.70 -3.60 5.90 0.87 -1.87 -3.34 113.55 121.81 3ij5 h SER 99 Ca -0.26 -0.31 -0.69 0.00 -1.23 0.00 0.00 61.79 59.30 3ij5 h SER 99 Cb 1.07 -0.20 -0.35 0.00 -0.44 0.00 0.00 62.40 62.48 3ij5 h SER 99 CO 1.19 1.01 -0.62 -0.62 -0.53 0.00 0.00 176.83 177.26 3ij5 s ASP 100 N -6.84 5.07 0.57 6.23 2.15 -1.26 -4.97 116.67 117.61 3ij5 s ASP 100 Ca -0.08 -1.84 0.34 0.00 0.43 0.00 0.00 52.55 51.40 3ij5 s ASP 100 Cb 0.12 -1.76 1.64 0.00 -0.30 0.00 0.00 42.92 42.62 3ij5 s ASP 100 CO 0.84 -0.44 2.10 0.11 -0.17 0.00 0.00 175.17 177.61 3ij5 h LYS 101 N 7.96 0.00 0.00 4.34 1.57 -1.91 -2.85 116.57 125.68 3ij5 h LYS 101 Ca -0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3ij5 h LYS 101 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3ij5 h LYS 101 CO 0.62 0.05 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.28 3ij5 h LEU 102 N 0.00 0.00 0.10 2.94 3.38 -1.96 -1.82 115.31 117.96 3ij5 h LEU 102 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ij5 h LEU 102 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ij5 h LEU 102 CO 0.01 0.21 -0.05 0.58 0.09 0.00 0.00 178.44 179.28 3ij5 h VAL 103 N 0.00 0.94 -0.53 1.22 2.07 -1.95 0.16 116.25 118.16 3ij5 h VAL 103 Ca -0.00 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3ij5 h VAL 103 Cb 0.38 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ij5 h VAL 103 CO 0.03 0.03 0.04 0.00 0.02 0.00 0.00 177.57 177.69 3ij5 h ALA 104 N 0.70 0.71 -0.31 1.67 0.00 -1.69 -2.58 119.26 117.75 3ij5 h ALA 104 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ij5 h ALA 104 Cb 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ij5 h ALA 104 CO 0.02 0.49 0.03 -0.92 0.00 0.00 0.00 179.25 178.88 3ij5 h TYR 105 N 0.78 0.05 -0.29 0.00 3.20 -1.19 -1.22 116.97 118.29 3ij5 h TYR 105 Ca 0.15 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3ij5 h TYR 105 Cb 0.47 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3ij5 h TYR 105 CO 0.04 -0.01 -0.06 0.45 -1.64 0.00 0.00 178.16 176.94 3ij5 h HIS 106 N 0.14 0.48 -0.48 -3.82 3.86 -0.84 -2.30 115.15 112.19 3ij5 h HIS 106 Ca 0.15 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3ij5 h HIS 106 Cb 0.18 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3ij5 h HIS 106 CO -0.20 0.52 0.05 1.49 0.86 0.00 0.00 177.93 180.65 3ij5 h GLU 107 N 0.44 0.81 -0.00 2.45 4.81 -1.03 -1.89 114.58 120.16 3ij5 h GLU 107 Ca 0.09 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3ij5 h GLU 107 Cb 0.38 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3ij5 h GLU 107 CO 0.02 0.83 0.00 -0.07 -0.73 0.00 0.00 179.01 179.06 3ij5 h LEU 108 N 0.67 0.01 -0.78 1.64 3.38 -1.00 0.16 115.31 119.38 3ij5 h LEU 108 Ca 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ij5 h LEU 108 Cb 0.43 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3ij5 h LEU 108 CO 0.01 0.06 0.47 -0.07 0.09 0.00 0.00 178.44 179.00 3ij5 h LEU 109 N -0.05 0.94 0.14 1.67 4.07 -1.38 0.19 115.31 120.89 3ij5 h LEU 109 Ca 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 3ij5 h LEU 109 Cb 0.06 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3ij5 h LEU 109 CO -0.00 0.73 -0.07 0.00 -1.08 0.00 0.00 178.44 178.02 3ij5 h ALA 110 N 1.25 -0.19 -0.39 1.53 0.00 -1.16 -0.77 119.26 119.52 3ij5 h ALA 110 Ca 0.28 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3ij5 h ALA 110 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ij5 h ALA 110 CO -0.05 -0.50 -0.31 1.79 0.00 0.00 0.00 179.25 180.18 3ij5 h THR 111 N -0.40 1.28 -0.01 0.00 1.35 -0.88 -3.17 112.91 111.07 3ij5 h THR 111 Ca -0.02 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3ij5 h THR 111 Cb 0.32 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3ij5 h THR 111 CO 0.03 0.49 -0.04 0.18 -0.25 0.00 0.00 175.52 175.93 3ij5 n LEU 112 N -4.08 1.07 -3.77 3.87 4.77 0.66 -4.94 117.00 114.58 3ij5 n LEU 112 Ca -0.01 -0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 55.39 3ij5 n LEU 112 Cb 0.50 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3ij5 n LEU 112 CO 0.47 0.18 -0.13 0.00 -1.33 0.00 0.00 177.39 176.58 3ij5 n GLN 113 N -0.25 -3.52 -4.79 3.23 6.02 -0.36 -4.98 117.38 112.73 3ij5 n GLN 113 Ca 0.19 0.52 -0.32 0.00 -0.01 0.00 0.00 57.00 57.37 3ij5 n GLN 113 Cb 0.30 -4.76 -0.13 0.00 1.02 0.00 0.00 30.24 26.68 3ij5 n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ij5 s GLN 115 N -1.00 3.88 0.32 0.00 -0.21 -1.26 -4.71 119.66 116.67 3ij5 s GLN 115 Ca 0.13 0.41 0.09 0.00 0.02 0.00 0.00 55.36 56.01 3ij5 s GLN 115 Cb -0.11 -2.63 0.88 0.00 1.00 0.00 0.00 33.01 32.15 3ij5 s GLN 115 CO 0.03 0.30 1.72 -1.35 -2.12 0.00 0.00 175.29 173.87 3ij5 h PRO 116 N 2.61 0.53 0.00 2.91 0.11 -1.96 0.20 132.00 136.40 3ij5 h PRO 116 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ij5 h PRO 116 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ij5 h PRO 116 CO 0.68 0.35 0.00 0.93 -0.21 0.00 0.00 178.00 179.75 3ij5 h GLU 117 N 0.55 0.00 -0.41 1.05 4.39 -1.89 -0.33 114.58 117.94 3ij5 h GLU 117 Ca 0.64 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.34 3ij5 h GLU 117 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3ij5 h GLU 117 CO -0.49 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.40 3ij5 n GLN 118 N -2.76 2.19 -4.69 2.33 6.02 0.70 -4.24 117.38 116.93 3ij5 n GLN 118 Ca -0.01 -1.83 -0.33 0.00 -0.01 0.00 0.00 57.00 54.81 3ij5 n GLN 118 Cb 0.12 -1.44 -0.12 0.00 1.02 0.00 0.00 30.24 29.81 3ij5 n GLN 118 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ij5 s VAL 119 N -1.47 3.44 0.03 5.09 1.01 -0.39 -0.46 120.40 127.65 3ij5 s VAL 119 Ca 0.36 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3ij5 s VAL 119 Cb 0.20 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3ij5 s VAL 119 CO 0.27 0.56 -0.12 0.00 0.00 0.00 0.00 175.10 175.82 3ij5 s ALA 120 N -0.36 2.83 -0.03 5.51 0.00 -0.08 -1.64 121.76 127.98 3ij5 s ALA 120 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3ij5 s ALA 120 Cb -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3ij5 s ALA 120 CO 0.02 0.60 0.01 -0.47 0.00 0.00 0.00 175.76 175.92 3ij5 s TYR 121 N -0.98 0.27 -0.25 0.00 5.04 -0.65 -0.44 117.35 120.34 3ij5 s TYR 121 Ca 0.16 0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.76 3ij5 s TYR 121 Cb -0.11 -0.41 -0.02 0.00 0.35 0.00 0.00 41.96 41.77 3ij5 s TYR 121 CO 0.07 -0.14 0.04 0.42 -1.34 0.00 0.00 175.55 174.60 3ij5 s ILE 122 N 1.19 4.00 0.39 3.14 1.01 -0.45 -0.29 121.20 130.20 3ij5 s ILE 122 Ca -0.07 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.25 3ij5 s ILE 122 Cb -0.13 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 3ij5 s ILE 122 CO -0.02 0.31 0.06 -0.83 0.00 0.00 0.00 174.94 174.45 3ij5 s GLY 123 N 1.56 2.46 0.00 6.18 0.00 -0.00 -2.10 107.32 115.41 3ij5 s GLY 123 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3ij5 s GLY 123 CO 0.02 -1.94 0.00 2.09 0.00 0.00 0.00 173.10 173.27 3ij5 n ASP 124 N -1.00 0.00 -4.09 1.64 5.75 -1.26 -2.50 116.55 115.08 3ij5 n ASP 124 Ca -0.07 -0.43 -0.11 0.00 -0.01 0.00 0.00 54.79 54.17 3ij5 n ASP 124 Cb 0.66 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.67 3ij5 n ASP 124 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ij5 s ASP 125 N 0.00 0.08 0.52 -1.12 -1.08 -1.26 -0.64 116.67 113.17 3ij5 s ASP 125 Ca 0.00 -1.20 0.21 0.00 -0.52 0.00 0.00 52.55 51.04 3ij5 s ASP 125 Cb 0.00 0.47 1.32 0.00 -1.46 0.00 0.00 42.92 43.25 3ij5 s ASP 125 CO 0.00 -0.98 2.06 -0.07 0.52 0.00 0.00 175.17 176.70 3ij5 h LEU 126 N 2.45 0.03 -2.23 -1.34 3.38 -1.98 -0.70 115.31 114.93 3ij5 h LEU 126 Ca -0.32 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3ij5 h LEU 126 Cb 1.25 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3ij5 h LEU 126 CO 0.45 0.02 0.15 0.40 0.09 0.00 0.00 178.44 179.55 3ij5 h ILE 127 N 0.03 0.57 0.00 1.22 5.03 -2.03 -0.32 117.51 122.01 3ij5 h ILE 127 Ca 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.89 3ij5 h ILE 127 Cb 0.58 0.88 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 3ij5 h ILE 127 CO -0.01 0.00 -0.30 0.44 -0.68 0.00 0.00 178.15 177.60 3ij5 h ASP 128 N 0.00 0.00 -0.77 1.72 3.32 -1.54 -3.39 116.42 115.76 3ij5 h ASP 128 Ca 0.07 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3ij5 h ASP 128 Cb 0.37 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3ij5 h ASP 128 CO -0.00 0.03 0.41 -0.25 -1.72 0.00 0.00 179.24 177.71 3ij5 h TRP 129 N 0.00 1.08 -0.78 4.55 2.91 -1.14 -2.30 115.95 120.27 3ij5 h TRP 129 Ca 0.00 -0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.09 3ij5 h TRP 129 Cb 0.82 -0.34 -0.05 0.00 -0.51 0.00 0.00 29.16 29.08 3ij5 h TRP 129 CO 0.00 0.76 0.51 -1.35 -1.03 0.00 0.00 178.44 177.34 3ij5 h PRO 130 N 1.10 0.67 0.05 2.65 0.11 -1.76 0.66 132.00 135.49 3ij5 h PRO 130 Ca 0.27 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 3ij5 h PRO 130 Cb 0.06 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.03 3ij5 h PRO 130 CO -0.04 0.45 -0.36 0.28 -0.21 0.00 0.00 178.00 178.12 3ij5 h VAL 131 N 0.70 1.65 -0.77 3.15 2.07 -1.81 -3.32 116.25 117.91 3ij5 h VAL 131 Ca 0.36 -2.36 0.12 0.00 0.82 0.00 0.00 66.70 65.64 3ij5 h VAL 131 Cb 0.48 3.22 -0.05 0.00 -1.52 0.00 0.00 31.29 33.42 3ij5 h VAL 131 CO -0.14 0.64 0.50 0.24 0.02 0.00 0.00 177.57 178.84 3ij5 h MET 132 N -0.68 0.57 0.00 1.57 2.86 -1.08 -0.29 114.93 117.88 3ij5 h MET 132 Ca -0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3ij5 h MET 132 Cb 1.25 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 3ij5 h MET 132 CO 0.07 0.38 -0.02 0.00 1.06 0.00 0.00 176.91 178.40 3ij5 h ALA 133 N 1.63 1.35 0.00 6.32 0.00 -0.97 -2.98 119.26 124.61 3ij5 h ALA 133 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ij5 h ALA 133 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ij5 h ALA 133 CO -0.13 0.02 -1.48 1.04 0.00 0.00 0.00 179.25 178.70 3ij5 n GLN 134 N -3.61 0.38 -2.58 0.00 6.02 -0.13 -5.03 117.38 112.43 3ij5 n GLN 134 Ca -0.03 -0.09 -0.25 0.00 -0.01 0.00 0.00 57.00 56.63 3ij5 n GLN 134 Cb 0.11 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 29.86 3ij5 n GLN 134 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ij5 s VAL 135 N -3.29 3.41 0.23 5.09 -7.23 -1.13 -4.71 120.40 112.77 3ij5 s VAL 135 Ca -0.01 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 3ij5 s VAL 135 Cb 0.15 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 3ij5 s VAL 135 CO 0.87 -0.29 1.56 1.23 -0.31 0.00 0.00 175.10 178.16 3ij5 h GLY 136 N -0.03 0.37 -6.85 2.32 0.00 -0.44 -3.41 103.07 95.03 3ij5 h GLY 136 Ca -0.45 -0.43 -0.56 0.00 0.00 0.00 0.00 47.33 45.89 3ij5 h GLY 136 CO 0.58 0.39 -0.79 -2.27 0.00 0.00 0.00 176.54 174.45 3ij5 s LEU 137 N -8.09 1.26 0.02 3.11 2.96 -0.65 -4.89 118.68 112.40 3ij5 s LEU 137 Ca -0.05 -1.72 -0.20 0.00 -0.22 0.00 0.00 54.13 51.94 3ij5 s LEU 137 Cb 0.12 -0.55 -0.06 0.00 0.50 0.00 0.00 46.19 46.20 3ij5 s LEU 137 CO 0.81 -0.39 0.60 -0.94 -1.32 0.00 0.00 176.35 175.11 3ij5 s SER 138 N 1.57 7.01 -0.05 3.68 1.04 -1.26 -1.63 113.70 124.06 3ij5 s SER 138 Ca 0.12 1.21 0.02 0.00 0.48 0.00 0.00 55.95 57.78 3ij5 s SER 138 Cb -0.19 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3ij5 s SER 138 CO -0.21 0.15 -0.10 -0.69 0.98 0.00 0.00 173.24 173.37 3ij5 s VAL 139 N -0.46 0.91 -0.12 5.02 1.01 0.60 -1.61 120.40 125.74 3ij5 s VAL 139 Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3ij5 s VAL 139 Cb -0.19 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3ij5 s VAL 139 CO 0.18 0.30 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 3ij5 s ALA 140 N 0.55 2.84 0.73 5.51 0.00 -0.58 -0.82 121.76 130.00 3ij5 s ALA 140 Ca -0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 3ij5 s ALA 140 Cb -0.13 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.69 3ij5 s ALA 140 CO 0.02 0.32 1.13 0.14 0.00 0.00 0.00 175.76 177.36 3ij5 s VAL 141 N 0.06 2.98 0.28 0.00 -7.23 -1.04 -1.46 120.40 113.98 3ij5 s VAL 141 Ca -0.02 0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.57 3ij5 s VAL 141 Cb -0.14 -2.87 0.29 0.00 0.56 0.00 0.00 36.38 34.22 3ij5 s VAL 141 CO 0.03 -0.33 1.68 0.00 -0.31 0.00 0.00 175.10 176.17 3ij5 h ALA 142 N -0.57 1.32 -0.82 1.32 0.00 -1.56 -1.45 119.26 117.52 3ij5 h ALA 142 Ca -0.46 0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.16 3ij5 h ALA 142 Cb 1.25 0.21 -0.26 0.00 0.00 0.00 0.00 17.79 18.99 3ij5 h ALA 142 CO 0.51 -0.38 0.41 -0.40 0.00 0.00 0.00 179.25 179.40 3ij5 n ASP 143 N -5.11 4.39 -4.69 0.00 5.75 -1.26 -5.00 116.55 110.63 3ij5 n ASP 143 Ca 0.21 -3.71 -0.29 0.00 -0.01 0.00 0.00 54.79 50.98 3ij5 n ASP 143 Cb 0.64 -0.79 0.16 0.00 -1.03 0.00 0.00 41.12 40.10 3ij5 n ASP 143 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ij5 s ALA 144 N -3.43 1.24 0.26 2.12 0.00 -0.55 -4.91 121.76 116.49 3ij5 s ALA 144 Ca 0.55 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3ij5 s ALA 144 Cb 0.46 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 20.26 3ij5 s ALA 144 CO 0.05 -2.61 1.33 1.58 0.00 0.00 0.00 175.76 176.11 3ij5 n HIS 145 N -4.05 2.02 -0.31 0.00 -0.00 0.19 -4.83 115.22 108.23 3ij5 n HIS 145 Ca 0.06 0.50 0.22 0.00 0.46 0.00 0.00 57.72 58.97 3ij5 n HIS 145 Cb 0.55 -2.41 0.51 0.00 -0.12 0.00 0.00 29.99 28.52 3ij5 n HIS 145 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3ij5 h PRO 146 N 3.63 0.38 0.00 1.57 0.11 -1.91 -0.53 132.00 135.25 3ij5 h PRO 146 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ij5 h PRO 146 Cb 1.29 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ij5 h PRO 146 CO 0.71 0.25 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.66 3ij5 h LEU 147 N 0.39 0.00 0.07 2.35 3.38 -1.98 -3.16 115.31 116.36 3ij5 h LEU 147 Ca 0.57 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.26 3ij5 h LEU 147 Cb 1.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 3ij5 h LEU 147 CO -0.27 0.02 -1.42 0.25 0.09 0.00 0.00 178.44 177.11 3ij5 h LEU 148 N 0.00 0.22 -0.68 1.67 5.85 -1.44 -3.40 115.31 117.53 3ij5 h LEU 148 Ca -0.00 -0.30 0.12 0.00 0.84 0.00 0.00 57.88 58.54 3ij5 h LEU 148 Cb 0.57 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.41 3ij5 h LEU 148 CO 0.00 1.25 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.95 3ij5 h LEU 149 N 0.04 -1.18 -0.38 2.25 3.38 -1.50 -1.20 115.31 116.72 3ij5 h LEU 149 Ca -0.19 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ij5 h LEU 149 Cb 1.95 0.60 0.00 0.00 0.09 0.00 0.00 40.66 43.31 3ij5 h LEU 149 CO 0.14 -0.30 0.00 -2.65 0.09 0.00 0.00 178.44 175.72 3ij5 n PRO 150 N -5.45 0.13 0.07 1.13 -0.02 -1.26 -3.27 135.00 126.32 3ij5 n PRO 150 Ca 0.06 0.33 -0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3ij5 n PRO 150 Cb 0.37 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 3ij5 n PRO 150 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ij5 h LYS 151 N 0.00 0.00 -7.16 -0.52 1.57 -1.44 -3.48 116.57 105.54 3ij5 h LYS 151 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 3ij5 h LYS 151 Cb 0.36 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.70 3ij5 h LYS 151 CO 0.00 0.42 0.37 0.00 -0.57 0.00 0.00 179.45 179.68 3ij5 s ALA 152 N -2.91 2.94 0.33 3.86 0.00 -1.18 -4.96 121.76 119.84 3ij5 s ALA 152 Ca -0.00 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.38 3ij5 s ALA 152 Cb 0.08 -3.18 0.58 0.00 0.00 0.00 0.00 23.12 20.61 3ij5 s ALA 152 CO 0.79 -0.37 1.78 0.45 0.00 0.00 0.00 175.76 178.41 3ij5 h HIS 153 N 1.00 0.22 -3.25 0.00 3.86 -1.66 -3.44 115.15 111.89 3ij5 h HIS 153 Ca -0.47 -0.05 -0.20 0.00 -1.16 0.00 0.00 60.37 58.49 3ij5 h HIS 153 Cb 1.20 -0.05 -0.28 0.00 1.06 0.00 0.00 27.41 29.34 3ij5 h HIS 153 CO 0.61 0.51 -0.52 -0.47 0.86 0.00 0.00 177.93 178.92 3ij5 s TYR 154 N -4.30 -0.21 -0.21 2.45 5.04 -0.93 -4.92 117.35 114.27 3ij5 s TYR 154 Ca -0.04 0.53 -0.05 0.00 -2.44 0.00 0.00 57.07 55.06 3ij5 s TYR 154 Cb 0.14 0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 3ij5 s TYR 154 CO 0.75 -0.13 -0.01 0.08 -1.34 0.00 0.00 175.55 174.91 3ij5 s VAL 155 N 0.46 3.81 0.61 3.14 1.01 -1.26 -1.52 120.40 126.65 3ij5 s VAL 155 Ca -0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3ij5 s VAL 155 Cb -0.04 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3ij5 s VAL 155 CO -0.02 0.42 1.14 0.42 0.00 0.00 0.00 175.10 177.06 3ij5 s THR 156 N 1.19 3.02 0.14 3.92 -4.23 -0.54 -4.89 115.64 114.25 3ij5 s THR 156 Ca 0.03 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 3ij5 s THR 156 Cb -0.15 -3.14 -0.18 0.00 1.34 0.00 0.00 72.50 70.38 3ij5 s THR 156 CO 0.01 -0.21 1.33 0.03 -0.54 0.00 0.00 174.62 175.24 3ij5 h ARG 157 N 0.58 0.22 -6.10 3.99 -0.00 -1.92 -3.16 114.38 107.99 3ij5 h ARG 157 Ca -0.49 -0.26 -0.58 0.00 -0.50 0.00 0.00 59.98 58.15 3ij5 h ARG 157 Cb 1.27 0.08 -0.05 0.00 0.00 0.00 0.00 29.97 31.27 3ij5 h ARG 157 CO 0.55 1.01 -0.09 0.42 0.00 0.00 0.00 179.97 181.86 3ij5 s ILE 158 N -3.10 4.89 0.71 2.04 -1.09 -1.26 -4.79 121.20 118.60 3ij5 s ILE 158 Ca -0.03 1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.35 3ij5 s ILE 158 Cb 0.09 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 3ij5 s ILE 158 CO 0.84 0.52 1.08 -0.54 -1.23 0.00 0.00 174.94 175.61 3ij5 s LYS 159 N -0.82 2.69 0.25 2.79 1.02 -1.26 -3.38 119.74 121.03 3ij5 s LYS 159 Ca 0.27 1.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.04 3ij5 s LYS 159 Cb -0.18 -1.95 -0.13 0.00 -0.52 0.00 0.00 37.83 35.04 3ij5 s LYS 159 CO 0.16 -1.30 1.44 0.41 -0.92 0.00 0.00 175.35 175.14 3ij5 n GLY 160 N -1.49 0.87 2.97 -3.33 0.00 -1.26 -1.46 105.19 101.49 3ij5 n GLY 160 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3ij5 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ij5 n GLY 161 N 2.14 1.98 0.53 -0.02 0.00 -0.89 -3.77 105.19 105.16 3ij5 n GLY 161 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3ij5 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ij5 n ARG 162 N -2.00 0.95 0.00 1.61 5.12 -0.54 -4.51 116.66 117.29 3ij5 n ARG 162 Ca 0.00 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.58 3ij5 n ARG 162 Cb 0.00 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 3ij5 n ARG 162 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ij5 n GLY 163 N 0.72 1.88 0.27 -0.13 0.00 -1.24 -4.88 105.19 101.82 3ij5 n GLY 163 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3ij5 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij5 h ALA 164 N 0.00 1.03 -0.16 4.61 0.00 -1.74 -1.35 119.26 121.65 3ij5 h ALA 164 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3ij5 h ALA 164 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ij5 h ALA 164 CO 0.00 0.59 0.02 0.28 0.00 0.00 0.00 179.25 180.13 3ij5 h VAL 165 N 0.66 1.23 -0.72 0.00 2.07 -1.90 -2.77 116.25 114.82 3ij5 h VAL 165 Ca 0.11 -0.76 0.11 0.00 0.82 0.00 0.00 66.70 66.98 3ij5 h VAL 165 Cb 0.58 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 3ij5 h VAL 165 CO 0.04 0.23 0.32 -0.09 0.02 0.00 0.00 177.57 178.09 3ij5 h ARG 166 N 0.03 0.50 -0.72 1.57 9.65 -1.78 -0.89 114.38 122.75 3ij5 h ARG 166 Ca 0.05 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 3ij5 h ARG 166 Cb 0.33 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 3ij5 h ARG 166 CO 0.01 0.33 0.37 1.49 2.80 0.00 0.00 179.97 184.97 3ij5 h GLU 167 N 0.52 0.62 -0.38 0.20 4.81 -1.08 0.59 114.58 119.87 3ij5 h GLU 167 Ca 0.37 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 3ij5 h GLU 167 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3ij5 h GLU 167 CO -0.33 0.41 -0.37 0.28 -0.73 0.00 0.00 179.01 178.28 3ij5 h VAL 168 N 0.64 1.27 -0.66 0.32 2.07 -1.06 -1.66 116.25 117.18 3ij5 h VAL 168 Ca 0.35 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3ij5 h VAL 168 Cb 0.34 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3ij5 h VAL 168 CO -0.25 0.51 0.33 0.00 0.02 0.00 0.00 177.57 178.18 3ij5 h ASP 170 N 0.91 0.95 -0.26 0.00 3.32 -0.78 -1.75 116.42 118.81 3ij5 h ASP 170 Ca 0.23 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ij5 h ASP 170 Cb 0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3ij5 h ASP 170 CO -0.03 0.90 0.11 0.25 -1.72 0.00 0.00 179.24 178.75 3ij5 h LEU 171 N 0.95 0.35 -0.38 1.55 5.85 -1.01 -0.26 115.31 122.35 3ij5 h LEU 171 Ca 0.21 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ij5 h LEU 171 Cb 0.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3ij5 h LEU 171 CO -0.01 0.40 0.23 0.40 -0.34 0.00 0.00 178.44 179.12 3ij5 h ILE 172 N 0.27 1.12 -0.55 4.05 2.04 -1.17 -0.57 117.51 122.70 3ij5 h ILE 172 Ca 0.09 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3ij5 h ILE 172 Cb 0.15 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3ij5 h ILE 172 CO -0.01 0.12 0.10 -0.07 0.00 0.00 0.00 178.15 178.28 3ij5 h LEU 173 N 0.50 0.86 -0.28 1.44 3.38 -1.23 -1.99 115.31 117.98 3ij5 h LEU 173 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ij5 h LEU 173 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3ij5 h LEU 173 CO -0.03 0.90 0.18 0.25 0.09 0.00 0.00 178.44 179.83 3ij5 h LEU 174 N 0.79 0.33 -2.05 1.67 5.85 -0.91 0.22 115.31 121.21 3ij5 h LEU 174 Ca 0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ij5 h LEU 174 Cb 0.40 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3ij5 h LEU 174 CO 0.01 0.25 -0.02 0.00 -0.34 0.00 0.00 178.44 178.34 3ij5 h ALA 175 N 1.09 1.85 -0.62 1.25 0.00 -0.86 -1.68 119.26 120.29 3ij5 h ALA 175 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ij5 h ALA 175 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ij5 h ALA 175 CO -0.02 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.30 3ij5 n GLN 176 N -4.35 3.37 -3.21 0.00 6.02 -0.77 -4.56 117.38 113.88 3ij5 n GLN 176 Ca -0.03 -2.75 -0.23 0.00 -0.01 0.00 0.00 57.00 53.98 3ij5 n GLN 176 Cb 0.11 -1.75 0.03 0.00 1.02 0.00 0.00 30.24 29.65 3ij5 n GLN 176 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ij5 n ASP 177 N 1.10 -5.55 0.00 1.08 8.00 -0.63 -4.87 116.55 115.68 3ij5 n ASP 177 Ca 0.24 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3ij5 n ASP 177 Cb 0.78 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 3ij5 n ASP 177 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ij5 n LYS 178 N -4.11 2.37 -0.04 -1.24 5.02 0.71 -4.79 118.16 116.07 3ij5 n LYS 178 Ca -0.07 -1.32 -0.13 0.00 -2.02 0.00 0.00 58.31 54.76 3ij5 n LYS 178 Cb 0.59 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 34.55 3ij5 n LYS 178 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ij5 h LEU 179 N 0.00 0.28 -0.55 -0.35 5.85 -1.80 -2.43 115.31 116.32 3ij5 h LEU 179 Ca 0.00 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3ij5 h LEU 179 Cb 0.47 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3ij5 h LEU 179 CO 0.00 0.76 0.33 -0.33 -0.34 0.00 0.00 178.44 178.85 3ij5 h GLU 180 N -0.18 0.75 0.00 1.25 5.08 -1.90 -2.76 114.58 116.81 3ij5 h GLU 180 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ij5 h GLU 180 Cb 0.69 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ij5 h GLU 180 CO 0.03 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 3ij5 n GLY 181 N -1.11 -1.53 3.75 -3.84 0.00 -1.25 -4.92 105.19 96.29 3ij5 n GLY 181 Ca 0.03 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3ij5 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij5 n ALA 182 N -1.57 1.98 -2.71 4.61 0.00 -0.92 -5.03 120.51 116.88 3ij5 n ALA 182 Ca 0.07 0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 3ij5 n ALA 182 Cb 0.35 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.29 3ij5 n ALA 182 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ij5 s THR 183 N -1.13 0.88 0.38 0.00 -1.32 -1.26 -5.06 115.64 108.13 3ij5 s THR 183 Ca 0.55 -0.46 -0.12 0.00 -1.21 0.00 0.00 61.69 60.45 3ij5 s THR 183 Cb -0.50 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 69.79 3ij5 s THR 183 CO 0.62 0.25 0.72 -0.83 -2.21 0.00 0.00 174.62 173.17 3ij5 s GLY 184 N -0.18 0.67 -0.06 6.08 0.00 -1.26 -3.63 107.32 108.95 3ij5 s GLY 184 Ca 0.03 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.82 3ij5 s GLY 184 CO -0.00 -0.49 -0.16 1.08 0.00 0.00 0.00 173.10 173.53 3ij5 s LEU 185 N -3.12 1.84 -1.10 0.66 1.43 -1.26 -5.00 118.68 112.14 3ij5 s LEU 185 Ca 0.19 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 3ij5 s LEU 185 Cb -0.04 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 3ij5 s LEU 185 CO 0.14 0.11 1.79 -0.44 0.23 0.00 0.00 176.35 178.18 3ij5 s SER 186 N 0.28 5.77 0.00 2.29 0.01 -1.26 -3.23 113.70 117.56 3ij5 s SER 186 Ca -0.09 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.65 3ij5 s SER 186 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3ij5 s SER 186 CO 0.03 -2.23 0.25 2.30 0.41 0.00 0.00 173.24 174.00