#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij5 n ASN 3 N 0.00 -7.21 -4.77 -3.46 5.03 -1.26 -4.97 115.26 98.61 3ij5 n ASN 3 Ca 0.00 -0.38 -0.37 0.00 0.87 0.00 0.00 54.58 54.70 3ij5 n ASN 3 Cb 0.00 -5.15 -0.02 0.00 -1.02 0.00 0.00 39.78 33.59 3ij5 n ASN 3 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ij5 s THR 4 N -3.17 3.31 -0.03 3.41 2.01 -1.26 -5.03 115.64 114.88 3ij5 s THR 4 Ca 0.20 1.02 -0.13 0.00 0.31 0.00 0.00 61.69 63.09 3ij5 s THR 4 Cb -0.03 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 3ij5 s THR 4 CO 0.75 0.02 0.35 0.00 -0.69 0.00 0.00 174.62 175.05 3ij5 s ALA 5 N -1.55 3.73 0.11 7.40 0.00 -1.26 -5.04 121.76 125.15 3ij5 s ALA 5 Ca 0.60 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.32 3ij5 s ALA 5 Cb -0.27 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3ij5 s ALA 5 CO 0.33 0.50 -0.17 0.71 0.00 0.00 0.00 175.76 177.12 3ij5 s TYR 6 N -1.01 1.59 -0.10 0.00 2.02 -1.26 -1.22 117.35 117.37 3ij5 s TYR 6 Ca 0.22 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3ij5 s TYR 6 Cb -0.16 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 3ij5 s TYR 6 CO 0.11 0.18 -0.16 0.42 -1.57 0.00 0.00 175.55 174.54 3ij5 s ILE 7 N -1.56 2.85 0.26 2.71 1.09 0.08 -4.89 121.20 121.75 3ij5 s ILE 7 Ca 0.07 -0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 58.57 3ij5 s ILE 7 Cb -0.08 -2.15 -0.09 0.00 -1.06 0.00 0.00 42.46 39.08 3ij5 s ILE 7 CO 0.04 0.55 0.98 -0.62 -0.10 0.00 0.00 174.94 175.79 3ij5 s ASP 8 N 0.01 7.52 0.23 3.58 3.68 -1.26 -0.64 116.67 129.78 3ij5 s ASP 8 Ca -0.05 2.01 0.01 0.00 2.13 0.00 0.00 52.55 56.66 3ij5 s ASP 8 Cb -0.15 -2.61 -0.05 0.00 -1.45 0.00 0.00 42.92 38.67 3ij5 s ASP 8 CO 0.04 0.06 0.06 0.42 0.13 0.00 0.00 175.17 175.88 3ij5 s THR 9 N -1.22 0.60 -1.08 1.71 -4.23 -0.99 -4.91 115.64 105.51 3ij5 s THR 9 Ca 0.43 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 3ij5 s THR 9 Cb -0.27 -2.45 0.07 0.00 1.34 0.00 0.00 72.50 71.19 3ij5 s THR 9 CO 0.33 -0.17 1.19 0.00 -0.54 0.00 0.00 174.62 175.43 3ij5 n TYR 11 N -1.46 0.00 0.00 0.00 4.01 -1.26 -5.10 117.16 113.35 3ij5 n TYR 11 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3ij5 n TYR 11 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.17 3.77 2.72 0.00 -0.29 -4.91 105.19 108.69 3ij5 n GLY 12 Ca 0.08 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 3ij5 n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ij5 s PRO 13 N -1.17 3.98 -0.07 1.61 0.02 -1.26 -2.34 135.00 135.76 3ij5 s PRO 13 Ca 0.00 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.48 3ij5 s PRO 13 Cb 0.00 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.68 3ij5 s PRO 13 CO 0.00 -0.58 -0.12 0.08 -0.33 0.00 0.00 177.00 176.04 3ij5 s VAL 14 N -1.17 1.17 0.38 3.83 1.01 0.18 -4.91 120.40 120.90 3ij5 s VAL 14 Ca 0.55 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3ij5 s VAL 14 Cb -0.44 -1.07 -0.11 0.00 0.00 0.00 0.00 36.38 34.76 3ij5 s VAL 14 CO 0.58 0.36 1.33 0.00 0.00 0.00 0.00 175.10 177.37 3ij5 n ALA 15 N 3.85 1.54 -0.33 5.51 0.00 -1.26 -0.74 120.51 129.09 3ij5 n ALA 15 Ca -0.22 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.60 3ij5 n ALA 15 Cb 0.52 -2.30 0.25 0.00 0.00 0.00 0.00 19.45 17.92 3ij5 n ALA 15 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ij5 h ASP 16 N 2.45 0.90 -0.63 0.00 3.58 -1.51 -0.64 116.42 120.57 3ij5 h ASP 16 Ca -0.48 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.10 3ij5 h ASP 16 Cb 1.28 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 42.10 3ij5 h ASP 16 CO 0.62 0.52 0.24 -0.78 -2.88 0.00 0.00 179.24 176.96 3ij5 h ASP 17 N 0.99 0.24 -0.48 2.28 3.58 -1.90 0.30 116.42 121.44 3ij5 h ASP 17 Ca 0.45 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.90 3ij5 h ASP 17 Cb 0.38 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3ij5 h ASP 17 CO -0.20 0.14 0.00 0.58 -2.88 0.00 0.00 179.24 176.88 3ij5 h VAL 18 N 0.42 1.26 -0.65 2.25 2.07 -1.51 -2.28 116.25 117.81 3ij5 h VAL 18 Ca 0.32 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3ij5 h VAL 18 Cb 0.40 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3ij5 h VAL 18 CO -0.31 0.37 0.42 0.40 0.02 0.00 0.00 177.57 178.47 3ij5 h ILE 19 N 0.70 1.14 -0.63 4.57 1.08 -0.53 -1.39 117.51 122.44 3ij5 h ILE 19 Ca 0.14 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 3ij5 h ILE 19 Cb 0.51 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 3ij5 h ILE 19 CO 0.02 0.15 0.24 -0.61 -0.69 0.00 0.00 178.15 177.27 3ij5 h GLN 20 N 0.85 0.92 -0.32 2.37 4.15 -0.81 -1.03 115.11 121.23 3ij5 h GLN 20 Ca 0.25 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 3ij5 h GLN 20 Cb -0.06 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3ij5 h GLN 20 CO -0.07 0.75 -0.11 0.00 -1.93 0.00 0.00 178.83 177.48 3ij5 h ARG 21 N 0.90 0.64 0.00 1.69 3.08 -1.08 -3.12 114.38 116.49 3ij5 h ARG 21 Ca 0.21 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3ij5 h ARG 21 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3ij5 h ARG 21 CO -0.02 0.83 -0.31 0.00 -1.07 0.00 0.00 179.97 179.41 3ij5 h ALA 22 N 0.79 1.46 0.00 0.04 0.00 -0.92 -2.79 119.26 117.84 3ij5 h ALA 22 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ij5 h ALA 22 Cb 0.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ij5 h ALA 22 CO 0.04 0.39 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3ij5 h ALA 23 N 1.69 1.10 -0.10 0.00 0.00 -1.13 -2.85 119.26 117.98 3ij5 h ALA 23 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ij5 h ALA 23 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ij5 h ALA 23 CO 0.04 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3ij5 n ASN 24 N -3.26 2.84 -4.67 0.00 5.03 -1.05 -4.78 115.26 109.37 3ij5 n ASN 24 Ca -0.02 -1.88 -0.42 0.00 0.87 0.00 0.00 54.58 53.13 3ij5 n ASN 24 Cb 0.16 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.84 3ij5 n ASN 24 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ij5 s ILE 25 N -1.63 3.76 -0.23 2.41 -1.09 -1.08 -4.40 121.20 118.94 3ij5 s ILE 25 Ca 0.26 0.98 0.11 0.00 -2.23 0.00 0.00 60.65 59.78 3ij5 s ILE 25 Cb 0.18 -3.63 -0.16 0.00 -1.58 0.00 0.00 42.46 37.27 3ij5 s ILE 25 CO 0.26 -0.07 0.35 0.54 -1.23 0.00 0.00 174.94 174.79 3ij5 n ARG 26 N 6.56 1.56 -3.72 2.79 3.00 0.82 -4.99 116.66 122.68 3ij5 n ARG 26 Ca 0.15 -0.06 -0.12 0.00 -0.01 0.00 0.00 57.85 57.81 3ij5 n ARG 26 Cb 0.43 -1.18 -0.13 0.00 0.00 0.00 0.00 32.46 31.59 3ij5 n ARG 26 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3ij5 s LEU 27 N -3.28 0.34 -0.21 0.55 2.96 -0.90 -1.91 118.68 116.23 3ij5 s LEU 27 Ca -0.01 0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 3ij5 s LEU 27 Cb 0.08 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.49 3ij5 s LEU 27 CO 0.47 -0.17 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.09 3ij5 s LEU 28 N 1.37 3.09 -0.17 -0.68 2.96 0.21 -0.93 118.68 124.53 3ij5 s LEU 28 Ca -0.08 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3ij5 s LEU 28 Cb -0.10 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3ij5 s LEU 28 CO -0.09 0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.32 3ij5 s ILE 29 N 1.23 4.04 -0.07 6.68 1.01 0.72 -0.80 121.20 134.01 3ij5 s ILE 29 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.42 3ij5 s ILE 29 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3ij5 s ILE 29 CO 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 174.94 175.24 3ij5 s ASP 31 N -0.30 4.87 -0.04 0.00 2.15 -0.86 -2.19 116.67 120.29 3ij5 s ASP 31 Ca 0.02 0.88 -0.04 0.00 0.43 0.00 0.00 52.55 53.84 3ij5 s ASP 31 Cb -0.13 -1.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.98 3ij5 s ASP 31 CO 0.03 -1.68 -0.08 0.52 -0.17 0.00 0.00 175.17 173.79 3ij5 n VAL 32 N -3.17 0.37 -1.91 1.11 0.31 -1.26 -4.13 118.33 109.65 3ij5 n VAL 32 Ca 0.08 0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 64.36 3ij5 n VAL 32 Cb 0.60 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.85 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 -4.58 6.60 0.00 4.52 1.01 -1.26 -0.36 116.67 122.60 3ij5 s ASP 33 Ca -0.07 2.37 0.00 0.00 0.71 0.00 0.00 52.55 55.57 3ij5 s ASP 33 Cb 0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3ij5 s ASP 33 CO 0.10 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.13 3ij5 n GLY 34 N 4.24 1.28 0.81 0.21 0.00 -1.08 -4.80 105.19 105.85 3ij5 n GLY 34 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 0.78 0.72 1.61 0.31 -0.66 -4.10 118.33 114.99 3ij5 n VAL 35 Ca 0.00 0.26 0.13 0.00 -0.01 0.00 0.00 64.34 64.72 3ij5 n VAL 35 Cb 0.00 -1.50 0.40 0.00 -0.91 0.00 0.00 33.84 31.83 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 -3.23 0.19 -4.41 5.55 2.81 0.51 -1.66 117.12 116.88 3ij5 n MET 36 Ca -0.02 0.13 -0.21 0.00 -1.81 0.00 0.00 57.70 55.79 3ij5 n MET 36 Cb 0.07 -1.70 -0.09 0.00 -0.71 0.00 0.00 33.22 30.79 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 -4.05 2.01 0.00 7.83 1.04 -1.10 -3.89 113.70 115.55 3ij5 s SER 37 Ca 0.11 -1.52 0.17 0.00 0.48 0.00 0.00 55.95 55.19 3ij5 s SER 37 Cb 0.14 0.27 0.81 0.00 0.10 0.00 0.00 66.02 67.34 3ij5 s SER 37 CO 0.61 -0.81 1.50 -0.90 0.98 0.00 0.00 173.24 174.63 3ij5 n ASP 38 N -0.89 0.00 0.00 7.02 5.68 -1.25 -2.16 116.55 124.94 3ij5 n ASP 38 Ca -0.02 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 3ij5 n ASP 38 Cb 0.66 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3ij5 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ij5 n GLY 39 N 0.15 0.73 3.90 6.12 0.00 -1.26 -4.69 105.19 110.15 3ij5 n GLY 39 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 4.37 -0.13 0.99 1.43 -1.26 -4.77 118.68 119.31 3ij5 s LEU 40 Ca 0.00 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 3ij5 s LEU 40 Cb 0.00 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3ij5 s LEU 40 CO 0.00 0.27 -0.21 -0.63 0.23 0.00 0.00 176.35 176.01 3ij5 s ILE 41 N -1.30 2.18 -0.22 -0.59 -1.09 -1.26 -4.70 121.20 114.22 3ij5 s ILE 41 Ca 0.26 -0.95 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 3ij5 s ILE 41 Cb -0.13 -1.87 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3ij5 s ILE 41 CO 0.17 0.55 0.31 -0.31 -1.23 0.00 0.00 174.94 174.43 3ij5 s TYR 42 N 0.69 3.34 -0.00 3.97 2.02 -0.82 -4.99 117.35 121.56 3ij5 s TYR 42 Ca -0.10 0.46 0.07 0.00 -0.37 0.00 0.00 57.07 57.14 3ij5 s TYR 42 Cb -0.16 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 3ij5 s TYR 42 CO 0.01 0.00 -0.22 -1.64 -1.57 0.00 0.00 175.55 172.13 3ij5 s MET 43 N 1.27 1.72 0.38 -0.62 -1.94 -1.26 -1.51 119.30 117.34 3ij5 s MET 43 Ca 0.15 -0.84 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 3ij5 s MET 43 Cb -0.14 -1.71 -0.07 0.00 2.01 0.00 0.00 34.83 34.91 3ij5 s MET 43 CO 0.07 0.46 -0.03 0.20 -0.01 0.00 0.00 175.02 175.71 3ij5 s GLY 44 N -0.70 2.35 0.55 -0.03 0.00 -0.51 -4.98 107.32 104.00 3ij5 s GLY 44 Ca 0.09 -2.20 0.28 0.00 0.00 0.00 0.00 44.72 42.88 3ij5 s GLY 44 CO -0.00 -2.06 2.14 3.43 0.00 0.00 0.00 173.10 176.61 3ij5 h ASN 45 N 1.90 0.00 -0.60 1.64 2.35 -2.01 -1.89 115.58 116.96 3ij5 h ASN 45 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3ij5 h ASN 45 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3ij5 h ASN 45 CO 0.76 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 176.62 3ij5 n GLN 46 N -3.75 4.48 -0.85 0.81 3.00 -1.26 -4.92 117.38 114.88 3ij5 n GLN 46 Ca -0.02 -3.04 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 3ij5 n GLN 46 Cb 0.18 -2.14 0.00 0.00 0.00 0.00 0.00 30.24 28.28 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 0.82 0.69 3.74 1.08 0.00 -0.71 -5.04 105.19 105.78 3ij5 n GLY 47 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3ij5 n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ij5 s GLU 48 N -0.15 2.36 -0.07 1.61 1.03 -1.25 -4.78 118.70 117.45 3ij5 s GLU 48 Ca 0.00 1.52 -0.03 0.00 0.03 0.00 0.00 54.97 56.49 3ij5 s GLU 48 Cb 0.00 -1.88 0.04 0.00 -0.80 0.00 0.00 34.13 31.49 3ij5 s GLU 48 CO 0.00 -1.61 0.15 -2.00 -1.33 0.00 0.00 175.26 170.47 3ij5 s GLU 49 N -4.15 0.08 0.16 -4.83 2.12 -1.26 -1.42 118.70 109.41 3ij5 s GLU 49 Ca 0.69 0.42 0.07 0.00 0.36 0.00 0.00 54.97 56.51 3ij5 s GLU 49 Cb -0.23 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 3ij5 s GLU 49 CO 0.45 -0.20 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.32 3ij5 s LEU 50 N 1.44 2.47 0.01 2.70 1.02 -0.57 -4.98 118.68 120.77 3ij5 s LEU 50 Ca -0.06 -0.91 0.01 0.00 0.02 0.00 0.00 54.13 53.18 3ij5 s LEU 50 Cb -0.12 -0.63 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 3ij5 s LEU 50 CO -0.06 -0.15 -0.03 -0.75 0.02 0.00 0.00 176.35 175.39 3ij5 s LYS 51 N -3.11 0.23 -0.21 1.70 2.20 -1.26 -1.94 119.74 117.34 3ij5 s LYS 51 Ca 0.15 -0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.38 3ij5 s LYS 51 Cb -0.03 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 3ij5 s LYS 51 CO 0.05 0.01 0.07 0.00 -0.36 0.00 0.00 175.35 175.11 3ij5 s ALA 52 N -0.65 3.29 0.25 3.13 0.00 -1.26 -5.09 121.76 121.44 3ij5 s ALA 52 Ca -0.06 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.07 3ij5 s ALA 52 Cb -0.05 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3ij5 s ALA 52 CO -0.00 -0.10 0.07 -0.06 0.00 0.00 0.00 175.76 175.66 3ij5 s PHE 53 N 0.91 2.85 -0.19 0.00 0.08 -1.26 -4.36 117.98 116.01 3ij5 s PHE 53 Ca 0.04 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 3ij5 s PHE 53 Cb -0.14 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 3ij5 s PHE 53 CO 0.03 0.58 0.04 1.21 -0.10 0.00 0.00 175.22 176.98 3ij5 s ASN 54 N -3.68 5.33 0.29 1.36 3.84 -1.25 -5.01 114.94 115.82 3ij5 s ASN 54 Ca 0.32 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.37 3ij5 s ASN 54 Cb -0.07 -1.91 0.51 0.00 -0.55 0.00 0.00 41.25 39.23 3ij5 s ASN 54 CO 0.22 0.14 1.90 0.58 -2.79 0.00 0.00 177.10 177.14 3ij5 h VAL 55 N 5.06 1.06 0.00 -5.21 2.07 -1.97 -2.02 116.25 115.23 3ij5 h VAL 55 Ca -0.36 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3ij5 h VAL 55 Cb 1.17 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3ij5 h VAL 55 CO 0.66 0.19 -0.33 0.08 0.02 0.00 0.00 177.57 178.20 3ij5 h ARG 56 N 1.05 0.00 -0.41 1.57 0.11 -1.95 -2.03 114.38 112.72 3ij5 h ARG 56 Ca 0.41 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.43 3ij5 h ARG 56 Cb 0.22 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 3ij5 h ARG 56 CO -0.16 0.33 0.04 -0.44 0.10 0.00 0.00 179.97 179.84 3ij5 h ASP 57 N 0.00 0.67 -0.53 0.08 3.32 -1.74 -2.37 116.42 115.85 3ij5 h ASP 57 Ca -0.00 -0.28 0.10 0.00 0.02 0.00 0.00 57.03 56.87 3ij5 h ASP 57 Cb 0.72 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.01 3ij5 h ASP 57 CO 0.04 0.78 0.09 1.23 -1.72 0.00 0.00 179.24 179.67 3ij5 h GLY 58 N 0.54 0.64 0.82 2.75 0.00 -1.06 -0.30 103.07 106.47 3ij5 h GLY 58 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.47 3ij5 h GLY 58 CO 0.01 -0.10 0.18 -1.82 0.00 0.00 0.00 176.54 174.82 3ij5 h TYR 59 N 0.22 0.33 -0.37 5.60 3.20 -1.16 -1.60 116.97 123.20 3ij5 h TYR 59 Ca 0.27 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3ij5 h TYR 59 Cb 0.39 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3ij5 h TYR 59 CO -0.25 0.18 0.20 0.78 -1.64 0.00 0.00 178.16 177.43 3ij5 h GLY 60 N 0.37 0.51 0.90 1.82 0.00 -0.83 -0.90 103.07 104.95 3ij5 h GLY 60 Ca 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3ij5 h GLY 60 CO -0.11 0.12 0.65 -2.22 0.00 0.00 0.00 176.54 174.98 3ij5 h ILE 61 N 0.41 1.19 -0.57 2.60 2.04 -0.81 -1.36 117.51 121.00 3ij5 h ILE 61 Ca 0.15 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3ij5 h ILE 61 Cb 0.04 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.91 3ij5 h ILE 61 CO -0.09 0.23 0.01 0.03 0.00 0.00 0.00 178.15 178.33 3ij5 h ARG 62 N 1.27 0.99 -0.82 2.37 2.47 -0.80 -1.61 114.38 118.25 3ij5 h ARG 62 Ca 0.39 -0.31 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3ij5 h ARG 62 Cb -0.03 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.16 3ij5 h ARG 62 CO -0.12 0.98 0.54 0.00 0.56 0.00 0.00 179.97 181.94 3ij5 h LEU 64 N 1.10 -0.38 -0.60 0.00 3.38 -1.02 -2.13 115.31 115.66 3ij5 h LEU 64 Ca 0.30 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3ij5 h LEU 64 Cb -0.12 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3ij5 h LEU 64 CO -0.07 -0.10 0.23 0.40 0.09 0.00 0.00 178.44 179.00 3ij5 h ILE 65 N -0.66 0.80 0.00 1.22 2.04 -1.18 0.29 117.51 120.01 3ij5 h ILE 65 Ca -0.05 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ij5 h ILE 65 Cb 0.47 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3ij5 h ILE 65 CO 0.07 0.08 0.00 0.35 0.00 0.00 0.00 178.15 178.65 3ij5 n THR 66 N -4.98 0.61 -0.68 -0.27 -2.24 -0.28 -2.02 114.28 104.42 3ij5 n THR 66 Ca 0.08 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 3ij5 n THR 66 Cb 0.25 -0.81 0.35 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.48 4.79 -2.25 3.42 7.64 -0.03 -4.94 113.62 120.77 3ij5 n SER 67 Ca 0.05 -2.54 -0.17 0.00 1.01 0.00 0.00 58.87 57.22 3ij5 n SER 67 Cb 0.23 -0.58 0.02 0.00 -1.01 0.00 0.00 64.21 62.87 3ij5 n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ij5 n ASP 68 N 0.91 -5.09 -4.21 6.43 2.03 -0.86 -5.01 116.55 110.76 3ij5 n ASP 68 Ca 0.25 -0.16 -0.34 0.00 0.52 0.00 0.00 54.79 55.06 3ij5 n ASP 68 Cb 0.92 -4.02 -0.14 0.00 -0.72 0.00 0.00 41.12 37.16 3ij5 n ASP 68 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3ij5 s ILE 69 N -2.97 2.88 0.56 5.18 1.01 -0.49 -5.01 121.20 122.36 3ij5 s ILE 69 Ca 0.16 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 3ij5 s ILE 69 Cb -0.07 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3ij5 s ILE 69 CO 0.20 0.26 1.17 -1.81 0.00 0.00 0.00 174.94 174.77 3ij5 s ASP 70 N 1.35 5.49 -0.04 3.58 1.01 -0.80 -2.95 116.67 124.30 3ij5 s ASP 70 Ca 0.01 2.30 0.02 0.00 0.71 0.00 0.00 52.55 55.60 3ij5 s ASP 70 Cb -0.16 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.19 3ij5 s ASP 70 CO -0.05 -1.38 -0.09 -0.69 0.21 0.00 0.00 175.17 173.17 3ij5 s VAL 71 N -1.66 0.82 0.09 -1.27 1.01 -1.26 -0.62 120.40 117.52 3ij5 s VAL 71 Ca 0.74 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3ij5 s VAL 71 Cb -0.28 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3ij5 s VAL 71 CO 0.31 0.27 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 3ij5 s ALA 72 N 0.56 1.04 -0.07 5.51 0.00 0.02 -4.36 121.76 124.46 3ij5 s ALA 72 Ca -0.10 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.71 3ij5 s ALA 72 Cb -0.13 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3ij5 s ALA 72 CO 0.01 -0.08 -0.18 0.42 0.00 0.00 0.00 175.76 175.93 3ij5 s ILE 73 N -2.63 1.56 -0.13 0.00 1.01 -0.17 -0.72 121.20 120.12 3ij5 s ILE 73 Ca 0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 3ij5 s ILE 73 Cb -0.02 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.11 3ij5 s ILE 73 CO -0.01 0.45 -0.10 -0.63 0.00 0.00 0.00 174.94 174.64 3ij5 s ILE 74 N 0.39 1.25 0.02 2.92 1.01 -0.93 -0.83 121.20 125.04 3ij5 s ILE 74 Ca -0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3ij5 s ILE 74 Cb -0.16 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3ij5 s ILE 74 CO 0.05 0.40 -0.01 0.28 0.00 0.00 0.00 174.94 175.67 3ij5 s THR 75 N 1.62 0.11 -0.39 2.92 -1.32 0.30 -4.36 115.64 114.53 3ij5 s THR 75 Ca 0.05 -0.95 0.23 0.00 -1.21 0.00 0.00 61.69 59.81 3ij5 s THR 75 Cb -0.13 -0.38 0.25 0.00 -1.51 0.00 0.00 72.50 70.73 3ij5 s THR 75 CO -0.09 -0.52 1.46 1.23 -2.21 0.00 0.00 174.62 174.49 3ij5 h GLY 76 N 4.48 0.00 -1.47 6.08 0.00 -1.85 -0.75 103.07 109.55 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 0.43 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.63 3ij5 s ARG 77 N -3.25 2.63 -0.04 4.80 0.52 -1.26 -3.50 118.95 118.85 3ij5 s ARG 77 Ca 0.05 -0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3ij5 s ARG 77 Cb 0.06 -2.27 0.03 0.00 0.52 0.00 0.00 34.95 33.29 3ij5 s ARG 77 CO 0.70 -0.87 0.04 0.50 0.02 0.00 0.00 175.30 175.69 3ij5 s ARG 78 N -5.04 0.09 -0.22 3.54 3.52 -1.26 -0.84 118.95 118.74 3ij5 s ARG 78 Ca 0.56 0.25 -0.17 0.00 -0.13 0.00 0.00 55.73 56.25 3ij5 s ARG 78 Cb -0.11 -0.52 0.06 0.00 -1.56 0.00 0.00 34.95 32.82 3ij5 s ARG 78 CO 0.44 -0.26 0.57 0.00 -0.81 0.00 0.00 175.30 175.24 3ij5 s ALA 79 N 1.75 -1.47 0.39 6.12 0.00 -1.26 -5.02 121.76 122.27 3ij5 s ALA 79 Ca -0.00 1.82 0.07 0.00 0.00 0.00 0.00 51.96 53.86 3ij5 s ALA 79 Cb -0.12 -1.07 0.83 0.00 0.00 0.00 0.00 23.12 22.75 3ij5 s ALA 79 CO -0.03 -0.30 2.00 -0.22 0.00 0.00 0.00 175.76 177.21 3ij5 h LYS 80 N 6.13 0.61 -0.83 0.00 1.63 -2.00 -2.01 116.57 120.10 3ij5 h LYS 80 Ca -0.31 -0.04 0.13 0.00 -0.85 0.00 0.00 60.65 59.59 3ij5 h LYS 80 Cb 1.19 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.62 3ij5 h LYS 80 CO 0.18 0.41 0.54 1.37 -3.45 0.00 0.00 179.45 178.50 3ij5 h LEU 81 N 0.63 0.61 -0.32 5.20 8.10 -1.95 -0.82 115.31 126.75 3ij5 h LEU 81 Ca 0.24 0.03 -0.19 0.00 0.11 0.00 0.00 57.88 58.07 3ij5 h LEU 81 Cb 0.16 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 3ij5 h LEU 81 CO -0.07 0.33 -0.64 0.25 -4.11 0.00 0.00 178.44 174.20 3ij5 h LEU 82 N 0.66 0.83 -0.81 0.17 5.85 -1.78 -0.95 115.31 119.28 3ij5 h LEU 82 Ca 0.41 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ij5 h LEU 82 Cb 0.65 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3ij5 h LEU 82 CO -0.17 1.26 0.49 -0.33 -0.34 0.00 0.00 178.44 179.36 3ij5 h GLU 83 N 0.53 0.88 -0.20 1.25 5.08 -1.15 0.10 114.58 121.07 3ij5 h GLU 83 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ij5 h GLU 83 Cb 1.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3ij5 h GLU 83 CO 0.13 0.58 0.12 -0.44 -1.00 0.00 0.00 179.01 178.40 3ij5 h ASP 84 N 0.90 0.23 -0.38 1.42 3.32 -0.92 -0.83 116.42 120.16 3ij5 h ASP 84 Ca 0.35 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3ij5 h ASP 84 Cb 0.16 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3ij5 h ASP 84 CO -0.17 0.20 0.18 -0.09 -1.72 0.00 0.00 179.24 177.64 3ij5 h ARG 85 N 0.24 0.56 -0.37 3.56 9.65 -0.60 -1.97 114.38 125.45 3ij5 h ARG 85 Ca 0.07 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3ij5 h ARG 85 Cb 0.01 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3ij5 h ARG 85 CO -0.01 0.50 0.18 0.00 2.80 0.00 0.00 179.97 183.44 3ij5 h ALA 86 N 1.03 0.45 -0.84 2.80 0.00 -0.67 -2.79 119.26 119.25 3ij5 h ALA 86 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ij5 h ALA 86 Cb 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3ij5 h ALA 86 CO -0.02 -0.19 0.47 -0.91 0.00 0.00 0.00 179.25 178.61 3ij5 h ASN 87 N 0.37 1.03 0.21 0.00 2.35 -0.91 -0.26 115.58 118.37 3ij5 h ASN 87 Ca 0.16 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3ij5 h ASN 87 Cb 0.07 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 3ij5 h ASN 87 CO -0.11 0.82 -0.13 0.71 -1.65 0.00 0.00 177.43 177.07 3ij5 h THR 88 N 1.16 0.86 -0.01 2.81 1.35 -1.16 -2.28 112.91 115.64 3ij5 h THR 88 Ca 0.30 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3ij5 h THR 88 Cb 0.00 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3ij5 h THR 88 CO -0.05 0.13 -0.24 0.18 -0.25 0.00 0.00 175.52 175.29 3ij5 n LEU 89 N -4.04 1.55 -0.69 3.87 4.77 -0.93 -4.95 117.00 116.57 3ij5 n LEU 89 Ca -0.02 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.38 3ij5 n LEU 89 Cb 0.21 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3ij5 n LEU 89 CO 0.33 0.28 -0.08 0.61 -1.33 0.00 0.00 177.39 177.20 3ij5 n GLY 90 N 1.33 0.55 3.67 -0.72 0.00 -0.80 -4.78 105.19 104.45 3ij5 n GLY 90 Ca 0.13 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.32 4.86 -1.41 -0.61 1.01 -0.18 -4.92 121.20 117.64 3ij5 s ILE 91 Ca 0.00 1.72 0.14 0.00 0.00 0.00 0.00 60.65 62.50 3ij5 s ILE 91 Cb 0.00 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.33 3ij5 s ILE 91 CO 0.00 0.02 0.82 0.35 0.00 0.00 0.00 174.94 176.13 3ij5 n THR 92 N 4.71 0.00 -3.69 2.92 -2.24 -1.26 -4.41 114.28 110.31 3ij5 n THR 92 Ca 0.05 -0.40 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 3ij5 n THR 92 Cb 0.49 1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 69.84 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 -1.51 3.82 -0.17 4.78 3.76 -1.26 -5.04 115.29 119.67 3ij5 s HIS 93 Ca 0.13 -3.08 -0.01 0.00 -0.15 0.00 0.00 55.06 51.95 3ij5 s HIS 93 Cb 0.11 -3.15 -0.00 0.00 1.11 0.00 0.00 32.58 30.65 3ij5 s HIS 93 CO 0.29 -0.71 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.18 3ij5 s LEU 94 N -1.32 2.60 -0.23 0.89 2.96 -1.26 -1.00 118.68 121.33 3ij5 s LEU 94 Ca 0.27 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3ij5 s LEU 94 Cb -0.07 -1.61 0.05 0.00 0.50 0.00 0.00 46.19 45.05 3ij5 s LEU 94 CO -0.13 0.06 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.56 3ij5 s TYR 95 N 0.99 2.63 0.34 5.38 2.02 -0.01 -4.99 117.35 123.71 3ij5 s TYR 95 Ca -0.02 -1.84 0.08 0.00 -0.37 0.00 0.00 57.07 54.93 3ij5 s TYR 95 Cb -0.15 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3ij5 s TYR 95 CO -0.02 -0.79 0.12 -0.65 -1.57 0.00 0.00 175.55 172.64 3ij5 s GLN 96 N 1.32 2.32 -1.78 -0.62 -0.21 -1.26 -0.54 119.66 118.89 3ij5 s GLN 96 Ca -0.05 -1.58 0.00 0.00 0.02 0.00 0.00 55.36 53.75 3ij5 s GLN 96 Cb -0.18 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.70 3ij5 s GLN 96 CO -0.07 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 3ij5 n GLY 97 N -1.11 -0.03 3.46 3.09 0.00 -0.02 -4.91 105.19 105.66 3ij5 n GLY 97 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.78 3.17 0.23 1.61 -1.52 -0.38 -4.90 119.66 113.09 3ij5 s GLN 98 Ca 0.00 -0.75 0.08 0.00 -1.95 0.00 0.00 55.36 52.75 3ij5 s GLN 98 Cb 0.00 -4.15 0.22 0.00 -0.22 0.00 0.00 33.01 28.86 3ij5 s GLN 98 CO 0.00 -1.55 1.53 0.66 -0.25 0.00 0.00 175.29 175.69 3ij5 h SER 99 N 9.31 0.06 -3.63 5.90 4.64 -1.87 -3.34 113.55 124.62 3ij5 h SER 99 Ca -0.28 -0.04 -0.68 0.00 -0.47 0.00 0.00 61.79 60.32 3ij5 h SER 99 Cb 1.08 -0.02 -0.37 0.00 -0.31 0.00 0.00 62.40 62.78 3ij5 h SER 99 CO 1.09 0.74 -0.66 -0.62 -0.87 0.00 0.00 176.83 176.52 3ij5 s ASP 100 N -6.84 4.96 0.57 4.97 2.15 -1.26 -4.97 116.67 116.24 3ij5 s ASP 100 Ca -0.01 -1.93 0.35 0.00 0.43 0.00 0.00 52.55 51.39 3ij5 s ASP 100 Cb 0.12 -1.71 1.66 0.00 -0.30 0.00 0.00 42.92 42.69 3ij5 s ASP 100 CO 0.78 -0.41 2.10 0.11 -0.17 0.00 0.00 175.17 177.58 3ij5 h LYS 101 N 7.85 0.00 0.00 4.34 1.57 -1.90 -2.79 116.57 125.65 3ij5 h LYS 101 Ca -0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3ij5 h LYS 101 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3ij5 h LYS 101 CO 0.59 0.04 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.23 3ij5 h LEU 102 N 0.00 0.00 0.05 2.94 3.38 -1.96 -1.91 115.31 117.82 3ij5 h LEU 102 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ij5 h LEU 102 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ij5 h LEU 102 CO 0.00 0.21 -0.03 0.58 0.09 0.00 0.00 178.44 179.30 3ij5 h VAL 103 N 0.00 1.06 -0.49 1.22 2.07 -1.94 -0.82 116.25 117.36 3ij5 h VAL 103 Ca -0.00 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 3ij5 h VAL 103 Cb 0.45 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3ij5 h VAL 103 CO 0.03 0.10 0.03 0.00 0.02 0.00 0.00 177.57 177.74 3ij5 h ALA 104 N 0.70 0.65 -0.03 1.67 0.00 -1.72 -2.34 119.26 118.20 3ij5 h ALA 104 Ca -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ij5 h ALA 104 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ij5 h ALA 104 CO 0.01 0.44 -0.12 -0.92 0.00 0.00 0.00 179.25 178.66 3ij5 h TYR 105 N 0.71 -0.31 -0.52 0.00 3.20 -1.25 -1.26 116.97 117.54 3ij5 h TYR 105 Ca 0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3ij5 h TYR 105 Cb 0.47 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 3ij5 h TYR 105 CO 0.04 -0.18 0.19 0.45 -1.64 0.00 0.00 178.16 177.01 3ij5 h HIS 106 N -0.19 0.77 -0.28 -3.82 3.86 -1.08 -2.28 115.15 112.12 3ij5 h HIS 106 Ca 0.06 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3ij5 h HIS 106 Cb 0.26 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3ij5 h HIS 106 CO -0.20 0.61 0.11 1.49 0.86 0.00 0.00 177.93 180.81 3ij5 h GLU 107 N 0.75 0.43 -0.28 2.45 4.81 -1.13 -2.08 114.58 119.53 3ij5 h GLU 107 Ca 0.18 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3ij5 h GLU 107 Cb 0.18 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3ij5 h GLU 107 CO -0.01 0.45 0.09 -0.07 -0.73 0.00 0.00 179.01 178.74 3ij5 h LEU 108 N 0.31 0.09 -1.07 1.64 3.38 -0.98 0.33 115.31 119.01 3ij5 h LEU 108 Ca 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ij5 h LEU 108 Cb 0.19 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ij5 h LEU 108 CO -0.01 0.09 0.22 -0.07 0.09 0.00 0.00 178.44 178.76 3ij5 h LEU 109 N 0.21 0.82 -0.02 1.67 4.07 -1.38 0.18 115.31 120.87 3ij5 h LEU 109 Ca 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3ij5 h LEU 109 Cb 0.10 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 3ij5 h LEU 109 CO -0.14 0.75 -0.01 0.00 -1.08 0.00 0.00 178.44 177.96 3ij5 h ALA 110 N 1.37 0.02 -0.16 1.53 0.00 -1.04 -1.17 119.26 119.83 3ij5 h ALA 110 Ca 0.20 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3ij5 h ALA 110 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ij5 h ALA 110 CO -0.02 -0.23 -0.58 1.79 0.00 0.00 0.00 179.25 180.22 3ij5 h THR 111 N -0.42 1.33 -0.01 0.00 1.35 -0.86 -3.11 112.91 111.20 3ij5 h THR 111 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 3ij5 h THR 111 Cb 0.48 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3ij5 h THR 111 CO 0.00 0.57 -0.12 0.18 -0.25 0.00 0.00 175.52 175.90 3ij5 n LEU 112 N -3.94 1.21 -3.61 3.87 4.77 0.64 -4.95 117.00 114.98 3ij5 n LEU 112 Ca -0.03 -0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 55.36 3ij5 n LEU 112 Cb 0.62 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 3ij5 n LEU 112 CO 0.47 0.21 -0.05 0.00 -1.33 0.00 0.00 177.39 176.69 3ij5 n GLN 113 N -0.28 -3.48 -5.18 3.23 6.02 -0.54 -4.99 117.38 112.17 3ij5 n GLN 113 Ca 0.16 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.45 3ij5 n GLN 113 Cb 0.34 -5.03 -0.16 0.00 1.02 0.00 0.00 30.24 26.41 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 -0.00 4.15 0.37 0.00 -0.21 -1.26 -4.70 119.66 118.01 3ij5 s GLN 115 Ca -0.08 0.90 0.13 0.00 0.02 0.00 0.00 55.36 56.34 3ij5 s GLN 115 Cb -0.15 -2.40 0.95 0.00 1.00 0.00 0.00 33.01 32.41 3ij5 s GLN 115 CO 0.05 0.12 1.81 -1.35 -2.12 0.00 0.00 175.29 173.80 3ij5 h PRO 116 N 2.29 0.53 0.00 2.91 0.11 -1.96 0.22 132.00 136.10 3ij5 h PRO 116 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ij5 h PRO 116 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ij5 h PRO 116 CO 0.64 0.35 0.00 0.93 -0.21 0.00 0.00 178.00 179.71 3ij5 h GLU 117 N 0.55 0.00 -0.55 1.05 4.39 -1.89 0.38 114.58 118.51 3ij5 h GLU 117 Ca 0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.23 3ij5 h GLU 117 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3ij5 h GLU 117 CO -0.27 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.62 3ij5 n GLN 118 N -2.54 2.31 -5.01 2.33 6.02 0.76 -4.23 117.38 117.01 3ij5 n GLN 118 Ca -0.00 -2.03 -0.32 0.00 -0.01 0.00 0.00 57.00 54.64 3ij5 n GLN 118 Cb 0.15 -1.44 -0.14 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.27 2.70 0.00 5.09 1.01 -0.74 -0.13 120.40 127.07 3ij5 s VAL 119 Ca 0.38 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3ij5 s VAL 119 Cb 0.20 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3ij5 s VAL 119 CO 0.26 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.79 3ij5 s ALA 120 N -0.43 2.69 -0.04 5.51 0.00 -0.10 -1.91 121.76 127.49 3ij5 s ALA 120 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3ij5 s ALA 120 Cb -0.12 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3ij5 s ALA 120 CO 0.02 0.57 -0.01 -0.47 0.00 0.00 0.00 175.76 175.87 3ij5 s TYR 121 N -0.87 0.43 -0.24 0.00 5.04 -0.52 -0.20 117.35 120.98 3ij5 s TYR 121 Ca 0.14 -0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.67 3ij5 s TYR 121 Cb -0.11 -0.49 -0.01 0.00 0.35 0.00 0.00 41.96 41.70 3ij5 s TYR 121 CO 0.04 -0.16 0.01 0.42 -1.34 0.00 0.00 175.55 174.52 3ij5 s ILE 122 N 1.09 3.72 0.39 3.14 1.01 -0.52 -0.51 121.20 129.52 3ij5 s ILE 122 Ca -0.09 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.15 3ij5 s ILE 122 Cb -0.14 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 3ij5 s ILE 122 CO -0.02 0.33 0.06 -0.83 0.00 0.00 0.00 174.94 174.49 3ij5 s GLY 123 N 1.52 2.45 0.00 6.18 0.00 -0.23 -2.04 107.32 115.20 3ij5 s GLY 123 Ca 0.05 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3ij5 s GLY 123 CO -0.00 -1.92 0.01 2.09 0.00 0.00 0.00 173.10 173.28 3ij5 n ASP 124 N -1.00 0.03 -3.71 1.64 5.75 -1.26 -2.51 116.55 115.48 3ij5 n ASP 124 Ca -0.07 -0.30 -0.14 0.00 -0.01 0.00 0.00 54.79 54.28 3ij5 n ASP 124 Cb 0.66 0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.77 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 -0.08 0.60 0.37 -1.12 -1.08 -1.26 -0.49 116.67 113.61 3ij5 s ASP 125 Ca 0.00 -1.39 0.07 0.00 -0.52 0.00 0.00 52.55 50.71 3ij5 s ASP 125 Cb 0.00 0.54 0.78 0.00 -1.46 0.00 0.00 42.92 42.78 3ij5 s ASP 125 CO 0.00 -1.08 1.95 -0.07 0.52 0.00 0.00 175.17 176.48 3ij5 h LEU 126 N 2.30 0.63 -2.32 -1.34 3.38 -1.98 -1.32 115.31 114.65 3ij5 h LEU 126 Ca -0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ij5 h LEU 126 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3ij5 h LEU 126 CO 0.42 0.40 0.00 -0.29 0.09 0.00 0.00 178.44 179.06 3ij5 h ILE 127 N 0.71 0.00 0.00 1.22 6.09 -2.02 -1.09 117.51 122.43 3ij5 h ILE 127 Ca 0.33 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.71 3ij5 h ILE 127 Cb 0.35 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 38.64 3ij5 h ILE 127 CO -0.11 0.00 -0.25 0.44 -3.07 0.00 0.00 178.15 175.15 3ij5 h ASP 128 N 0.00 0.00 -0.89 2.19 3.32 -1.66 -3.38 116.42 116.00 3ij5 h ASP 128 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3ij5 h ASP 128 Cb 0.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3ij5 h ASP 128 CO 0.00 0.03 0.51 -0.25 -1.72 0.00 0.00 179.24 177.80 3ij5 h TRP 129 N 0.00 1.20 -0.99 4.55 2.91 -1.27 -1.83 115.95 120.52 3ij5 h TRP 129 Ca -0.00 -0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.14 3ij5 h TRP 129 Cb 1.02 -0.39 -0.09 0.00 -0.51 0.00 0.00 29.16 29.20 3ij5 h TRP 129 CO 0.00 0.82 0.62 -1.35 -1.03 0.00 0.00 178.44 177.50 3ij5 h PRO 130 N 1.23 0.85 0.01 2.65 0.11 -1.75 0.15 132.00 135.26 3ij5 h PRO 130 Ca 0.31 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 3ij5 h PRO 130 Cb -0.00 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 30.92 3ij5 h PRO 130 CO -0.05 0.56 -0.37 0.28 -0.21 0.00 0.00 178.00 178.21 3ij5 h VAL 131 N 0.88 1.53 -0.85 3.15 2.07 -1.79 -3.30 116.25 117.95 3ij5 h VAL 131 Ca 0.51 -2.06 0.13 0.00 0.82 0.00 0.00 66.70 66.11 3ij5 h VAL 131 Cb 0.65 2.80 -0.06 0.00 -1.52 0.00 0.00 31.29 33.16 3ij5 h VAL 131 CO -0.29 0.57 0.55 0.24 0.02 0.00 0.00 177.57 178.67 3ij5 h MET 132 N -0.43 0.65 -0.02 1.57 2.86 -0.78 -0.75 114.93 118.03 3ij5 h MET 132 Ca -0.05 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3ij5 h MET 132 Cb 1.14 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 3ij5 h MET 132 CO 0.07 0.43 0.03 0.00 1.06 0.00 0.00 176.91 178.51 3ij5 h ALA 133 N 1.60 1.52 0.00 6.32 0.00 -0.80 -2.89 119.26 125.01 3ij5 h ALA 133 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3ij5 h ALA 133 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ij5 h ALA 133 CO -0.18 -0.04 -1.12 1.04 0.00 0.00 0.00 179.25 178.95 3ij5 n GLN 134 N -3.77 0.11 -2.86 0.00 6.02 -0.29 -5.03 117.38 111.56 3ij5 n GLN 134 Ca -0.02 -0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 3ij5 n GLN 134 Cb 0.12 -1.51 0.01 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.08 3.95 0.31 5.09 -7.23 -1.09 -4.71 120.40 113.63 3ij5 s VAL 135 Ca 0.06 -0.38 0.10 0.00 -1.81 0.00 0.00 61.98 59.94 3ij5 s VAL 135 Cb 0.16 -3.48 0.03 0.00 0.56 0.00 0.00 36.38 33.64 3ij5 s VAL 135 CO 0.87 -0.37 1.70 1.23 -0.31 0.00 0.00 175.10 178.21 3ij5 h GLY 136 N 0.28 0.06 -6.71 2.32 0.00 -0.35 -3.40 103.07 95.27 3ij5 h GLY 136 Ca -0.46 -0.07 -0.56 0.00 0.00 0.00 0.00 47.33 46.25 3ij5 h GLY 136 CO 0.58 0.06 -0.81 -2.27 0.00 0.00 0.00 176.54 174.10 3ij5 s LEU 137 N -7.95 0.89 0.01 3.11 2.96 -0.80 -4.87 118.68 112.02 3ij5 s LEU 137 Ca -0.03 -1.78 -0.20 0.00 -0.22 0.00 0.00 54.13 51.90 3ij5 s LEU 137 Cb 0.13 -0.41 -0.06 0.00 0.50 0.00 0.00 46.19 46.35 3ij5 s LEU 137 CO 0.75 -0.37 0.57 -0.94 -1.32 0.00 0.00 176.35 175.05 3ij5 s SER 138 N 1.53 6.97 -0.05 3.68 1.04 -1.26 -1.44 113.70 124.16 3ij5 s SER 138 Ca 0.14 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.75 3ij5 s SER 138 Cb -0.20 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.58 3ij5 s SER 138 CO -0.17 0.15 -0.10 -0.69 0.98 0.00 0.00 173.24 173.41 3ij5 s VAL 139 N -0.41 0.92 -0.12 5.02 1.01 0.33 -1.67 120.40 125.48 3ij5 s VAL 139 Ca 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3ij5 s VAL 139 Cb -0.18 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3ij5 s VAL 139 CO 0.17 0.30 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 3ij5 s ALA 140 N 0.62 2.88 0.77 5.51 0.00 -0.43 -1.07 121.76 130.04 3ij5 s ALA 140 Ca -0.11 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 3ij5 s ALA 140 Cb -0.14 -1.34 0.06 0.00 0.00 0.00 0.00 23.12 21.70 3ij5 s ALA 140 CO 0.02 0.35 1.12 0.14 0.00 0.00 0.00 175.76 177.39 3ij5 s VAL 141 N -0.05 2.90 0.28 0.00 -7.23 -1.05 -1.39 120.40 113.87 3ij5 s VAL 141 Ca -0.00 0.34 0.02 0.00 -1.81 0.00 0.00 61.98 60.52 3ij5 s VAL 141 Cb -0.13 -2.74 0.28 0.00 0.56 0.00 0.00 36.38 34.35 3ij5 s VAL 141 CO 0.03 -0.34 1.68 0.00 -0.31 0.00 0.00 175.10 176.17 3ij5 h ALA 142 N -0.93 1.32 -0.83 1.32 0.00 -1.56 -2.06 119.26 116.54 3ij5 h ALA 142 Ca -0.45 0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 3ij5 h ALA 142 Cb 1.25 0.20 -0.27 0.00 0.00 0.00 0.00 17.79 18.97 3ij5 h ALA 142 CO 0.50 -0.37 0.40 -0.40 0.00 0.00 0.00 179.25 179.38 3ij5 n ASP 143 N -5.11 4.80 -4.73 0.00 5.75 -1.26 -5.00 116.55 111.00 3ij5 n ASP 143 Ca 0.21 -3.72 -0.30 0.00 -0.01 0.00 0.00 54.79 50.96 3ij5 n ASP 143 Cb 0.63 -0.79 0.13 0.00 -1.03 0.00 0.00 41.12 40.07 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 -3.49 1.69 0.23 2.12 0.00 -0.77 -4.92 121.76 116.61 3ij5 s ALA 144 Ca 0.56 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.19 3ij5 s ALA 144 Cb 0.47 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.24 3ij5 s ALA 144 CO 0.04 -2.24 1.25 1.58 0.00 0.00 0.00 175.76 176.39 3ij5 n HIS 145 N -3.81 1.73 -0.21 0.00 -0.00 0.36 -4.83 115.22 108.46 3ij5 n HIS 145 Ca 0.07 0.57 0.21 0.00 0.46 0.00 0.00 57.72 59.04 3ij5 n HIS 145 Cb 0.55 -2.36 0.58 0.00 -0.12 0.00 0.00 29.99 28.64 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 3.46 0.26 0.00 1.57 0.11 -1.91 -0.39 132.00 135.10 3ij5 h PRO 146 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3ij5 h PRO 146 Cb 1.31 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ij5 h PRO 146 CO 0.70 0.17 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.45 3ij5 h LEU 147 N 0.27 0.00 0.10 2.35 3.38 -1.98 -3.19 115.31 116.24 3ij5 h LEU 147 Ca 0.44 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.13 3ij5 h LEU 147 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3ij5 h LEU 147 CO -0.12 0.15 -1.32 0.25 0.09 0.00 0.00 178.44 177.49 3ij5 h LEU 148 N 0.00 0.33 -0.58 1.67 5.85 -1.41 -3.40 115.31 117.77 3ij5 h LEU 148 Ca -0.00 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.42 3ij5 h LEU 148 Cb 0.55 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 3ij5 h LEU 148 CO 0.02 1.31 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.98 3ij5 h LEU 149 N 0.06 -1.31 0.00 2.25 3.38 -1.53 -1.14 115.31 117.02 3ij5 h LEU 149 Ca -0.16 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ij5 h LEU 149 Cb 1.96 0.62 0.00 0.00 0.09 0.00 0.00 40.66 43.33 3ij5 h LEU 149 CO 0.17 -0.32 0.00 -0.81 0.09 0.00 0.00 178.44 177.57 3ij5 n PRO 150 N -5.42 0.11 0.07 1.13 -0.04 -1.26 -3.05 135.00 126.53 3ij5 n PRO 150 Ca 0.03 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.68 3ij5 n PRO 150 Cb 0.35 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 3ij5 n PRO 150 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3ij5 h LYS 151 N 0.00 0.00 -7.14 0.54 1.57 -1.43 -3.48 116.57 106.63 3ij5 h LYS 151 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3ij5 h LYS 151 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 3ij5 h LYS 151 CO 0.00 0.29 0.37 0.00 -0.57 0.00 0.00 179.45 179.54 3ij5 s ALA 152 N -3.00 2.98 0.29 3.86 0.00 -1.17 -4.96 121.76 119.76 3ij5 s ALA 152 Ca -0.01 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3ij5 s ALA 152 Cb 0.08 -3.16 0.45 0.00 0.00 0.00 0.00 23.12 20.49 3ij5 s ALA 152 CO 0.79 -0.22 1.76 0.45 0.00 0.00 0.00 175.76 178.54 3ij5 h HIS 153 N 1.24 0.55 -3.52 0.00 3.86 -1.67 -3.44 115.15 112.17 3ij5 h HIS 153 Ca -0.48 -0.10 -0.23 0.00 -1.16 0.00 0.00 60.37 58.40 3ij5 h HIS 153 Cb 1.19 -0.14 -0.29 0.00 1.06 0.00 0.00 27.41 29.23 3ij5 h HIS 153 CO 0.61 0.66 -0.65 -0.47 0.86 0.00 0.00 177.93 178.94 3ij5 s TYR 154 N -4.62 -0.07 -0.18 2.45 5.04 -0.86 -4.93 117.35 114.18 3ij5 s TYR 154 Ca -0.07 0.21 -0.04 0.00 -2.44 0.00 0.00 57.07 54.73 3ij5 s TYR 154 Cb 0.14 -0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.40 3ij5 s TYR 154 CO 0.79 -0.06 -0.04 0.08 -1.34 0.00 0.00 175.55 174.97 3ij5 s VAL 155 N 0.35 3.62 0.62 3.14 1.01 -1.26 -1.32 120.40 126.56 3ij5 s VAL 155 Ca -0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 3ij5 s VAL 155 Cb -0.04 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3ij5 s VAL 155 CO -0.01 0.46 1.13 0.42 0.00 0.00 0.00 175.10 177.10 3ij5 s THR 156 N 0.89 3.10 0.08 3.92 -4.23 -0.48 -4.88 115.64 114.03 3ij5 s THR 156 Ca -0.01 0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 61.07 3ij5 s THR 156 Cb -0.15 -3.15 -0.27 0.00 1.34 0.00 0.00 72.50 70.28 3ij5 s THR 156 CO 0.01 -0.24 1.17 0.03 -0.54 0.00 0.00 174.62 175.05 3ij5 h ARG 157 N 0.50 0.23 -6.41 3.99 2.47 -1.92 -3.13 114.38 110.12 3ij5 h ARG 157 Ca -0.48 -0.39 -0.55 0.00 -1.26 0.00 0.00 59.98 57.30 3ij5 h ARG 157 Cb 1.26 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 29.69 3ij5 h ARG 157 CO 0.55 1.18 0.09 0.42 0.56 0.00 0.00 179.97 182.77 3ij5 s ILE 158 N -2.68 4.52 0.68 2.04 -1.09 -1.26 -4.77 121.20 118.64 3ij5 s ILE 158 Ca -0.03 1.49 -0.12 0.00 -2.23 0.00 0.00 60.65 59.76 3ij5 s ILE 158 Cb 0.08 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3ij5 s ILE 158 CO 0.87 0.53 1.06 -0.54 -1.23 0.00 0.00 174.94 175.63 3ij5 s LYS 159 N -1.16 3.00 0.26 2.79 1.02 -1.26 -3.41 119.74 120.98 3ij5 s LYS 159 Ca 0.33 1.00 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 3ij5 s LYS 159 Cb -0.21 -2.00 -0.13 0.00 -0.52 0.00 0.00 37.83 34.97 3ij5 s LYS 159 CO 0.23 -1.05 1.42 0.41 -0.92 0.00 0.00 175.35 175.44 3ij5 n GLY 160 N -1.80 0.84 3.09 -3.33 0.00 -1.26 -1.31 105.19 101.42 3ij5 n GLY 160 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 2.01 0.88 0.30 -0.02 0.00 -0.67 -3.86 105.19 103.84 3ij5 n GLY 161 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.01 0.68 0.00 1.61 5.12 -0.43 -4.54 116.66 117.09 3ij5 n ARG 162 Ca 0.00 -1.14 0.00 0.00 -1.93 0.00 0.00 57.85 54.78 3ij5 n ARG 162 Cb 0.00 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 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 0.32 1.70 0.23 -0.13 0.00 -1.24 -4.86 105.19 101.20 3ij5 n GLY 163 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.92 -0.20 4.61 0.00 -1.75 -1.54 119.26 121.30 3ij5 h ALA 164 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3ij5 h ALA 164 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ij5 h ALA 164 CO 0.00 0.62 0.02 0.28 0.00 0.00 0.00 179.25 180.17 3ij5 h VAL 165 N 0.48 1.24 -0.65 0.00 2.07 -1.90 -2.57 116.25 114.92 3ij5 h VAL 165 Ca 0.05 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 66.86 3ij5 h VAL 165 Cb 0.82 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 3ij5 h VAL 165 CO 0.07 0.25 0.28 -0.09 0.02 0.00 0.00 177.57 178.10 3ij5 h ARG 166 N 0.11 0.48 -0.63 1.57 9.65 -1.78 -0.40 114.38 123.38 3ij5 h ARG 166 Ca 0.06 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 3ij5 h ARG 166 Cb 0.35 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 3ij5 h ARG 166 CO 0.01 0.32 0.30 1.49 2.80 0.00 0.00 179.97 184.88 3ij5 h GLU 167 N 0.49 0.52 -0.27 0.20 4.81 -1.06 0.18 114.58 119.45 3ij5 h GLU 167 Ca 0.32 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3ij5 h GLU 167 Cb 0.37 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3ij5 h GLU 167 CO -0.29 0.34 -0.14 0.28 -0.73 0.00 0.00 179.01 178.48 3ij5 h VAL 168 N 0.53 1.30 -0.68 0.32 2.07 -0.99 -1.00 116.25 117.80 3ij5 h VAL 168 Ca 0.31 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.67 3ij5 h VAL 168 Cb 0.30 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3ij5 h VAL 168 CO -0.25 0.39 0.34 0.00 0.02 0.00 0.00 177.57 178.08 3ij5 h ASP 170 N 0.61 0.85 -0.44 0.00 3.32 -0.51 -1.73 116.42 118.52 3ij5 h ASP 170 Ca 0.32 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3ij5 h ASP 170 Cb 0.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3ij5 h ASP 170 CO -0.24 0.83 0.25 0.25 -1.72 0.00 0.00 179.24 178.61 3ij5 h LEU 171 N 0.82 0.54 -0.20 1.55 5.85 -0.55 -0.28 115.31 123.04 3ij5 h LEU 171 Ca 0.19 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ij5 h LEU 171 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3ij5 h LEU 171 CO -0.00 0.47 0.09 0.40 -0.34 0.00 0.00 178.44 179.05 3ij5 h ILE 172 N 0.57 1.15 -0.40 4.05 2.04 -1.03 -1.21 117.51 122.68 3ij5 h ILE 172 Ca 0.15 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3ij5 h ILE 172 Cb 0.04 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3ij5 h ILE 172 CO -0.03 0.14 0.20 -0.07 0.00 0.00 0.00 178.15 178.40 3ij5 h LEU 173 N 0.18 0.51 -0.17 1.44 3.38 -1.21 -2.38 115.31 117.06 3ij5 h LEU 173 Ca 0.07 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ij5 h LEU 173 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3ij5 h LEU 173 CO -0.01 0.48 0.02 0.25 0.09 0.00 0.00 178.44 179.28 3ij5 h LEU 174 N 0.50 -0.02 -2.48 1.67 5.85 -0.98 0.14 115.31 119.99 3ij5 h LEU 174 Ca 0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3ij5 h LEU 174 Cb 0.10 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3ij5 h LEU 174 CO -0.02 0.02 0.04 0.00 -0.34 0.00 0.00 178.44 178.14 3ij5 h ALA 175 N 1.13 1.51 -0.49 1.25 0.00 -1.05 -1.27 119.26 120.35 3ij5 h ALA 175 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ij5 h ALA 175 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ij5 h ALA 175 CO -0.11 -0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.12 3ij5 n GLN 176 N -3.74 3.34 -3.17 0.00 6.02 -0.89 -4.52 117.38 114.41 3ij5 n GLN 176 Ca -0.02 -2.67 -0.23 0.00 -0.01 0.00 0.00 57.00 54.07 3ij5 n GLN 176 Cb 0.12 -1.72 0.03 0.00 1.02 0.00 0.00 30.24 29.69 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 0.64 -5.56 0.00 1.08 8.00 -0.48 -4.88 116.55 115.35 3ij5 n ASP 177 Ca 0.21 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3ij5 n ASP 177 Cb 0.77 -4.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 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 -4.07 0.94 -0.13 -1.24 5.02 0.44 -4.78 118.16 114.35 3ij5 n LYS 178 Ca -0.08 -0.95 -0.09 0.00 -2.02 0.00 0.00 58.31 55.17 3ij5 n LYS 178 Cb 0.59 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.63 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 0.51 -9.22 -0.35 5.85 -1.80 -3.24 115.31 107.07 3ij5 h LEU 179 Ca 0.00 -0.15 -0.57 0.00 0.84 0.00 0.00 57.88 57.99 3ij5 h LEU 179 Cb 0.28 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3ij5 h LEU 179 CO 0.00 0.53 0.31 -1.61 -0.34 0.00 0.00 178.44 177.32 3ij5 s GLU 180 N -5.60 4.34 0.00 1.25 2.02 -1.26 -3.29 118.70 116.15 3ij5 s GLU 180 Ca -0.13 0.99 0.00 0.00 0.02 0.00 0.00 54.97 55.85 3ij5 s GLU 180 Cb 0.10 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.79 3ij5 s GLU 180 CO 0.74 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.21 3ij5 n GLY 181 N 3.37 0.36 3.73 -1.39 0.00 -1.26 -5.07 105.19 104.94 3ij5 n GLY 181 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ij5 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij5 s ALA 182 N -2.00 3.33 -0.03 4.61 0.00 -1.21 -5.05 121.76 121.41 3ij5 s ALA 182 Ca 0.00 0.73 0.07 0.00 0.00 0.00 0.00 51.96 52.75 3ij5 s ALA 182 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3ij5 s ALA 182 CO 0.00 -0.14 -0.23 0.95 0.00 0.00 0.00 175.76 176.34 3ij5 s THR 183 N -0.15 1.85 0.00 0.00 -4.23 -1.26 -5.03 115.64 106.81 3ij5 s THR 183 Ca 0.49 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3ij5 s THR 183 Cb -0.27 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.02 3ij5 s THR 183 CO 0.33 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.54