#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d01 s HIS 3 N 0.00 3.27 -0.01 4.31 3.76 -1.26 -5.03 115.29 120.33 2d01 s HIS 3 Ca 0.00 1.46 0.01 0.00 -0.15 0.00 0.00 55.06 56.38 2d01 s HIS 3 Cb 0.00 -3.53 0.01 0.00 1.11 0.00 0.00 32.58 30.17 2d01 s HIS 3 CO 0.00 -1.43 -0.01 0.54 -0.85 0.00 0.00 174.74 172.99 2d01 s VAL 4 N -0.81 0.18 0.12 -0.90 0.11 -1.26 -5.16 120.40 112.67 2d01 s VAL 4 Ca 0.49 -0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 2d01 s VAL 4 Cb -0.36 -0.21 -0.07 0.00 -1.53 0.00 0.00 36.38 34.21 2d01 s VAL 4 CO 0.45 0.10 0.51 0.00 -3.33 0.00 0.00 175.10 172.83 2d01 s ALA 5 N 0.46 3.62 0.16 1.54 0.00 -1.26 -4.71 121.76 121.57 2d01 s ALA 5 Ca -0.04 -0.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.39 2d01 s ALA 5 Cb -0.07 -2.47 -0.15 0.00 0.00 0.00 0.00 23.12 20.44 2d01 s ALA 5 CO -0.01 0.48 1.46 0.34 0.00 0.00 0.00 175.76 178.03 2d01 n PHE 6 N 0.93 1.99 -0.80 0.00 -0.00 -1.26 -1.72 117.46 116.61 2d01 n PHE 6 Ca -0.07 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 2d01 n PHE 6 Cb 0.52 -2.46 0.00 0.00 -0.00 0.00 0.00 39.48 37.54 2d01 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2d01 n GLY 7 N 2.89 0.70 3.76 7.13 0.00 -1.26 -5.02 105.19 113.39 2d01 n GLY 7 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2d01 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d01 s SER 8 N -2.32 5.89 0.50 1.61 0.01 -0.70 -4.88 113.70 113.81 2d01 s SER 8 Ca 0.00 2.83 0.16 0.00 1.31 0.00 0.00 55.95 60.25 2d01 s SER 8 Cb 0.00 -2.65 1.20 0.00 0.21 0.00 0.00 66.02 64.78 2d01 s SER 8 CO 0.00 -1.15 2.10 -0.08 0.41 0.00 0.00 173.24 174.52 2d01 h GLU 9 N 2.28 0.00 -0.08 12.44 4.81 -1.95 -2.40 114.58 129.68 2d01 h GLU 9 Ca -0.51 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2d01 h GLU 9 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2d01 h GLU 9 CO 0.61 0.06 -0.37 -0.40 -0.73 0.00 0.00 179.01 178.18 2d01 n ASP 10 N -4.45 1.94 -0.22 1.04 5.75 -1.26 -4.81 116.55 114.54 2d01 n ASP 10 Ca -0.03 -3.82 0.18 0.00 -0.01 0.00 0.00 54.79 51.11 2d01 n ASP 10 Cb 0.14 -0.55 0.50 0.00 -1.03 0.00 0.00 41.12 40.19 2d01 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2d01 h ILE 11 N 0.94 0.72 0.00 2.12 6.09 -1.80 0.58 117.51 126.16 2d01 h ILE 11 Ca 0.05 -0.14 -0.05 0.00 -1.37 0.00 0.00 64.86 63.35 2d01 h ILE 11 Cb 1.15 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 2d01 h ILE 11 CO 0.09 0.08 -0.22 1.05 -3.07 0.00 0.00 178.15 176.07 2d01 h GLU 12 N 0.42 0.00 -0.11 2.19 9.09 -1.87 -1.57 114.58 122.73 2d01 h GLU 12 Ca 0.44 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.77 2d01 h GLU 12 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2d01 h GLU 12 CO -0.16 0.22 -0.23 -0.97 0.05 0.00 0.00 179.01 177.92 2d01 h ASN 13 N 0.00 0.40 -0.25 3.06 -1.24 -1.27 -2.32 115.58 113.96 2d01 h ASN 13 Ca -0.00 -0.56 -0.02 0.00 0.71 0.00 0.00 56.30 56.42 2d01 h ASN 13 Cb 0.69 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2d01 h ASN 13 CO 0.03 0.88 0.06 0.74 -1.29 0.00 0.00 177.43 177.85 2d01 h THR 14 N -0.07 1.21 0.00 -3.57 2.02 -1.36 -3.07 112.91 108.06 2d01 h THR 14 Ca 0.00 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2d01 h THR 14 Cb 0.82 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2d01 h THR 14 CO 0.05 0.22 -0.20 -0.07 0.37 0.00 0.00 175.52 175.90 2d01 h LEU 15 N 0.22 0.00 -2.09 2.58 -0.00 -1.37 -2.66 115.31 111.99 2d01 h LEU 15 Ca 0.08 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 2d01 h LEU 15 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2d01 h LEU 15 CO 0.00 0.20 0.09 0.00 -0.00 0.00 0.00 178.44 178.73 2d01 h ALA 16 N 1.80 2.01 -0.01 1.53 0.00 -1.31 -2.20 119.26 121.09 2d01 h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2d01 h ALA 16 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2d01 h ALA 16 CO 0.03 -0.16 -0.10 1.63 0.00 0.00 0.00 179.25 180.65 2d01 n LYS 17 N -4.33 0.90 -3.79 0.00 5.02 -1.00 -4.96 118.16 109.99 2d01 n LYS 17 Ca -0.00 -0.36 -0.37 0.00 -2.02 0.00 0.00 58.31 55.56 2d01 n LYS 17 Cb 0.21 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 2d01 n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2d01 s MET 18 N -2.35 3.59 0.55 1.97 -1.94 -0.83 -5.12 119.30 115.17 2d01 s MET 18 Ca 0.32 -0.03 -0.06 0.00 -1.71 0.00 0.00 55.69 54.20 2d01 s MET 18 Cb 0.20 -3.22 0.12 0.00 2.01 0.00 0.00 34.83 33.95 2d01 s MET 18 CO 0.45 0.72 0.74 -0.40 -0.01 0.00 0.00 175.02 176.52 2d01 n ASP 19 N 2.10 0.40 -0.06 3.03 3.85 -1.26 -4.81 116.55 119.80 2d01 n ASP 19 Ca -0.18 -1.48 -0.09 0.00 -0.71 0.00 0.00 54.79 52.33 2d01 n ASP 19 Cb 0.54 -0.54 -0.02 0.00 -1.35 0.00 0.00 41.12 39.75 2d01 n ASP 19 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 2d01 h ASP 20 N -0.78 0.22 -0.73 -1.12 2.03 -2.00 0.42 116.42 114.45 2d01 h ASP 20 Ca -0.24 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.02 2d01 h ASP 20 Cb 0.75 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.18 2d01 h ASP 20 CO 0.20 0.16 0.31 1.23 -1.03 0.00 0.00 179.24 180.12 2d01 h GLY 21 N 0.28 1.16 0.77 7.15 0.00 -1.98 0.12 103.07 110.58 2d01 h GLY 21 Ca 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2d01 h GLY 21 CO -0.05 0.58 0.00 1.46 0.00 0.00 0.00 176.54 178.53 2d01 h GLN 22 N 1.05 0.21 -0.93 4.80 4.20 -1.87 -2.12 115.11 120.44 2d01 h GLN 22 Ca 0.25 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.98 2d01 h GLN 22 Cb 0.18 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 2d01 h GLN 22 CO -0.02 0.45 0.60 -0.07 -0.67 0.00 0.00 178.83 179.12 2d01 h LEU 23 N -0.05 0.88 -2.24 1.46 3.38 -0.67 -0.71 115.31 117.35 2d01 h LEU 23 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2d01 h LEU 23 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2d01 h LEU 23 CO 0.01 0.52 -0.04 0.44 0.09 0.00 0.00 178.44 179.45 2d01 h ASP 24 N 0.97 0.00 -0.01 -0.43 3.32 -0.44 -2.68 116.42 117.15 2d01 h ASP 24 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2d01 h ASP 24 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2d01 h ASP 24 CO -0.19 0.04 -0.00 0.61 -1.72 0.00 0.00 179.24 177.98 2d01 n GLY 25 N -0.72 -0.03 3.75 2.75 0.00 -0.28 -4.35 105.19 106.32 2d01 n GLY 25 Ca -0.02 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2d01 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d01 s LEU 26 N -2.01 3.50 0.09 0.99 1.43 -1.01 -4.92 118.68 116.76 2d01 s LEU 26 Ca 0.38 2.24 0.23 0.00 -1.03 0.00 0.00 54.13 55.95 2d01 s LEU 26 Cb 0.21 -4.58 0.91 0.00 0.03 0.00 0.00 46.19 42.76 2d01 s LEU 26 CO 0.34 -1.74 1.71 0.00 0.23 0.00 0.00 176.35 176.89 2d01 n ALA 27 N -2.10 1.97 -2.28 4.21 0.00 -1.26 -4.75 120.51 116.29 2d01 n ALA 27 Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 2d01 n ALA 27 Cb 0.51 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 2d01 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2d01 s PHE 28 N -3.09 1.41 0.34 0.00 -0.12 -1.26 -5.03 117.98 110.23 2d01 s PHE 28 Ca 0.09 -0.73 -0.28 0.00 -0.05 0.00 0.00 56.93 55.96 2d01 s PHE 28 Cb 0.13 -0.71 -0.10 0.00 -0.63 0.00 0.00 43.02 41.71 2d01 s PHE 28 CO 0.43 0.14 1.23 0.20 -0.05 0.00 0.00 175.22 177.17 2d01 s GLY 29 N -3.22 2.99 -0.03 1.99 0.00 0.56 -4.60 107.32 105.00 2d01 s GLY 29 Ca 0.19 1.11 -0.01 0.00 0.00 0.00 0.00 44.72 46.01 2d01 s GLY 29 CO 0.03 1.71 0.04 0.00 0.00 0.00 0.00 173.10 174.88 2d01 s ALA 30 N -1.21 0.22 -0.03 3.20 0.00 -1.26 -1.03 121.76 121.66 2d01 s ALA 30 Ca 0.50 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.72 2d01 s ALA 30 Cb -0.36 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2d01 s ALA 30 CO 0.47 -0.31 -0.20 0.42 0.00 0.00 0.00 175.76 176.14 2d01 s ILE 31 N 1.65 1.59 -0.13 0.00 1.01 0.04 -1.42 121.20 123.94 2d01 s ILE 31 Ca -0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2d01 s ILE 31 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2d01 s ILE 31 CO -0.03 0.45 -0.12 -1.58 0.00 0.00 0.00 174.94 173.66 2d01 s GLN 32 N -0.28 3.41 0.13 2.79 0.74 -0.14 -0.42 119.66 125.90 2d01 s GLN 32 Ca 0.03 -0.66 0.09 0.00 0.05 0.00 0.00 55.36 54.87 2d01 s GLN 32 Cb -0.10 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2d01 s GLN 32 CO 0.01 0.23 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.29 2d01 s LEU 33 N 0.33 2.71 0.00 3.68 1.43 0.63 0.16 118.68 127.62 2d01 s LEU 33 Ca -0.10 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 2d01 s LEU 33 Cb -0.16 -1.52 0.20 0.00 0.03 0.00 0.00 46.19 44.74 2d01 s LEU 33 CO 0.05 0.16 1.24 -0.90 0.23 0.00 0.00 176.35 177.14 2d01 n ASP 34 N 0.65 0.53 0.29 2.29 5.68 -0.28 -0.33 116.55 125.38 2d01 n ASP 34 Ca -0.15 -1.71 0.17 0.00 -0.50 0.00 0.00 54.79 52.60 2d01 n ASP 34 Cb 0.53 -0.91 0.90 0.00 -1.14 0.00 0.00 41.12 40.51 2d01 n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2d01 h GLY 35 N -1.38 0.00 -0.83 6.12 0.00 -1.91 -0.57 103.07 104.49 2d01 h GLY 35 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2d01 h GLY 35 CO 0.33 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.09 2d01 n ASP 36 N -3.38 1.83 0.00 0.19 8.00 -1.26 -4.94 116.55 116.99 2d01 n ASP 36 Ca -0.02 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.84 2d01 n ASP 36 Cb 0.18 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2d01 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d01 n GLY 37 N 1.20 0.62 3.76 0.44 0.00 -0.22 -4.91 105.19 106.09 2d01 n GLY 37 Ca 0.18 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2d01 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d01 s ASN 38 N -2.11 7.38 -0.27 1.61 0.01 -1.26 -0.75 114.94 119.54 2d01 s ASN 38 Ca 0.00 2.06 -0.28 0.00 -0.71 0.00 0.00 52.86 53.94 2d01 s ASN 38 Cb 0.00 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2d01 s ASN 38 CO 0.00 -0.05 1.00 -0.63 -1.51 0.00 0.00 177.10 175.91 2d01 s ILE 39 N -1.28 4.65 -0.16 0.60 1.01 -0.06 -1.12 121.20 124.84 2d01 s ILE 39 Ca 0.45 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 62.78 2d01 s ILE 39 Cb -0.27 -4.31 -0.23 0.00 0.01 0.00 0.00 42.46 37.66 2d01 s ILE 39 CO 0.34 -0.29 0.24 0.18 0.00 0.00 0.00 174.94 175.41 2d01 n LEU 40 N 6.47 2.51 -4.03 2.97 4.77 0.12 -0.81 117.00 129.00 2d01 n LEU 40 Ca 0.10 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.21 2d01 n LEU 40 Cb 0.47 -1.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.39 2d01 n LEU 40 CO 0.54 0.75 -0.37 -1.10 -1.33 0.00 0.00 177.39 175.88 2d01 s GLN 41 N -2.52 0.46 -0.28 3.23 -0.21 -1.01 -4.90 119.66 114.43 2d01 s GLN 41 Ca -0.26 -0.86 -0.07 0.00 0.02 0.00 0.00 55.36 54.19 2d01 s GLN 41 Cb 0.07 0.08 0.14 0.00 1.00 0.00 0.00 33.01 34.30 2d01 s GLN 41 CO 0.71 -0.06 0.58 -0.47 -2.12 0.00 0.00 175.29 173.93 2d01 s TYR 42 N -2.36 -1.30 0.65 0.91 6.14 -1.26 -0.96 117.35 119.17 2d01 s TYR 42 Ca -0.06 1.96 -0.02 0.00 0.64 0.00 0.00 57.07 59.59 2d01 s TYR 42 Cb -0.03 0.62 0.07 0.00 0.42 0.00 0.00 41.96 43.04 2d01 s TYR 42 CO -0.04 -0.70 0.92 0.54 0.64 0.00 0.00 175.55 176.91 2d01 s ASN 43 N 2.82 4.83 0.25 4.32 4.22 -0.51 -4.78 114.94 126.09 2d01 s ASN 43 Ca 0.03 0.07 -0.04 0.00 -2.14 0.00 0.00 52.86 50.78 2d01 s ASN 43 Cb -0.13 -0.73 0.30 0.00 1.28 0.00 0.00 41.25 41.97 2d01 s ASN 43 CO -0.18 -1.51 1.78 0.00 -2.04 0.00 0.00 177.10 175.14 2d01 h ALA 44 N -0.35 1.10 -0.70 3.54 0.00 -1.83 -2.52 119.26 118.50 2d01 h ALA 44 Ca -0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2d01 h ALA 44 Cb 1.29 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2d01 h ALA 44 CO 0.51 0.59 0.37 0.00 0.00 0.00 0.00 179.25 180.72 2d01 h ALA 45 N 1.25 1.32 -0.27 0.00 0.00 -1.84 -0.94 119.26 118.77 2d01 h ALA 45 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2d01 h ALA 45 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2d01 h ALA 45 CO 0.00 0.54 0.02 1.49 0.00 0.00 0.00 179.25 181.31 2d01 h GLU 46 N 0.99 0.47 -0.25 0.00 4.57 -1.71 -2.61 114.58 116.03 2d01 h GLU 46 Ca 0.25 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2d01 h GLU 46 Cb 0.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2d01 h GLU 46 CO -0.04 0.61 0.16 0.78 -1.18 0.00 0.00 179.01 179.35 2d01 h GLY 47 N 0.27 0.32 2.00 1.92 0.00 -1.06 -0.59 103.07 105.93 2d01 h GLY 47 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2d01 h GLY 47 CO 0.01 0.11 -0.17 -0.55 0.00 0.00 0.00 176.54 175.95 2d01 h ASP 48 N 0.31 0.00 0.35 0.19 3.32 -0.83 0.30 116.42 120.07 2d01 h ASP 48 Ca 0.09 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.82 2d01 h ASP 48 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 2d01 h ASP 48 CO -0.02 0.17 -1.52 0.40 -1.72 0.00 0.00 179.24 176.54 2d01 h ILE 49 N 0.00 1.20 0.00 0.35 2.04 -0.84 -3.41 117.51 116.85 2d01 h ILE 49 Ca -0.00 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.12 2d01 h ILE 49 Cb 0.46 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 2d01 h ILE 49 CO 0.02 0.84 -0.62 0.35 0.00 0.00 0.00 178.15 178.74 2d01 n THR 50 N -3.59 0.00 -1.00 -0.27 -2.24 -0.78 -4.97 114.28 101.43 2d01 n THR 50 Ca -0.17 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2d01 n THR 50 Cb 1.07 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 2d01 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d01 n GLY 51 N 1.33 0.36 3.79 3.38 0.00 0.08 -4.72 105.19 109.41 2d01 n GLY 51 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2d01 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d01 s ARG 52 N -0.59 4.46 -0.33 1.61 3.00 -1.25 -5.02 118.95 120.83 2d01 s ARG 52 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 55.73 56.57 2d01 s ARG 52 Cb 0.00 -2.94 0.01 0.00 0.00 0.00 0.00 34.95 32.02 2d01 s ARG 52 CO 0.00 0.39 1.01 0.34 0.00 0.00 0.00 175.30 177.04 2d01 s ASP 53 N -1.52 6.83 0.52 0.23 3.68 -1.26 -4.43 116.67 120.72 2d01 s ASP 53 Ca 0.44 0.88 0.21 0.00 2.13 0.00 0.00 52.55 56.21 2d01 s ASP 53 Cb -0.19 -2.51 1.33 0.00 -1.45 0.00 0.00 42.92 40.11 2d01 s ASP 53 CO 0.23 -0.85 2.07 -0.65 0.13 0.00 0.00 175.17 176.10 2d01 h PRO 54 N 8.21 0.01 0.00 4.34 0.11 -1.88 -1.23 132.00 141.56 2d01 h PRO 54 Ca -0.22 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 2d01 h PRO 54 Cb 1.07 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2d01 h PRO 54 CO 1.01 0.00 -0.24 0.87 -0.21 0.00 0.00 178.00 179.43 2d01 h LYS 55 N 0.01 0.00 0.00 1.05 1.79 -1.91 -3.32 116.57 114.19 2d01 h LYS 55 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2d01 h LYS 55 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2d01 h LYS 55 CO -0.00 0.24 -1.44 1.04 -1.08 0.00 0.00 179.45 178.21 2d01 n GLN 56 N -3.36 0.84 0.05 3.15 1.13 -0.50 -4.39 117.38 114.29 2d01 n GLN 56 Ca 0.00 -0.10 0.13 0.00 -1.94 0.00 0.00 57.00 55.09 2d01 n GLN 56 Cb 0.45 -1.38 0.41 0.00 0.11 0.00 0.00 30.24 29.84 2d01 n GLN 56 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2d01 n VAL 57 N -1.85 0.27 -1.69 5.09 0.24 -1.01 -4.81 118.33 114.56 2d01 n VAL 57 Ca -0.01 -0.15 -0.44 0.00 -2.04 0.00 0.00 64.34 61.71 2d01 n VAL 57 Cb 0.39 -0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.37 2d01 n VAL 57 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2d01 n ILE 58 N -1.87 0.05 0.00 1.34 2.08 -1.26 -1.52 119.36 118.18 2d01 n ILE 58 Ca 0.06 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2d01 n ILE 58 Cb 0.39 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.46 2d01 n ILE 58 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2d01 n GLY 59 N 3.79 2.72 3.87 7.39 0.00 0.01 -4.98 105.19 117.99 2d01 n GLY 59 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2d01 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d01 s LYS 60 N -0.79 3.14 -0.22 1.61 -0.14 -0.58 -4.59 119.74 118.17 2d01 s LYS 60 Ca 0.00 0.62 -0.18 0.00 -1.36 0.00 0.00 55.97 55.05 2d01 s LYS 60 Cb 0.00 -2.04 -0.03 0.00 -1.68 0.00 0.00 37.83 34.08 2d01 s LYS 60 CO 0.00 -0.87 0.51 1.21 -0.76 0.00 0.00 175.35 175.45 2d01 s ASN 61 N -4.23 6.52 0.11 2.83 3.84 -1.26 -0.88 114.94 121.87 2d01 s ASN 61 Ca 0.57 0.62 -0.19 0.00 0.21 0.00 0.00 52.86 54.07 2d01 s ASN 61 Cb -0.11 -2.29 -0.06 0.00 -0.55 0.00 0.00 41.25 38.24 2d01 s ASN 61 CO 0.53 -0.21 1.72 0.15 -2.79 0.00 0.00 177.10 176.50 2d01 h PHE 62 N 7.63 0.31 0.03 0.43 3.57 -1.29 -1.01 116.94 126.62 2d01 h PHE 62 Ca -0.32 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 60.95 2d01 h PHE 62 Cb 1.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2d01 h PHE 62 CO 0.72 0.26 -1.08 0.74 -2.23 0.00 0.00 178.31 176.72 2d01 h PHE 63 N 0.27 0.11 0.11 0.41 0.04 -1.83 0.14 116.94 116.19 2d01 h PHE 63 Ca 0.08 -0.08 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2d01 h PHE 63 Cb 0.05 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2d01 h PHE 63 CO -0.04 1.07 -1.14 -0.22 -0.60 0.00 0.00 178.31 177.38 2d01 h LYS 64 N 0.02 0.23 0.00 1.51 3.64 -1.87 -3.37 116.57 116.72 2d01 h LYS 64 Ca -0.05 -0.39 -0.13 0.00 -1.27 0.00 0.00 60.65 58.82 2d01 h LYS 64 Cb 1.82 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.77 2d01 h LYS 64 CO 0.15 1.19 -1.46 -0.25 -2.27 0.00 0.00 179.45 176.80 2d01 n ASP 65 N -4.06 2.71 0.05 4.20 8.00 -0.43 -4.67 116.55 122.35 2d01 n ASP 65 Ca -0.21 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.06 2d01 n ASP 65 Cb 0.84 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.63 2d01 n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2d01 h VAL 66 N -0.07 1.00 -2.09 2.53 2.07 -1.35 -3.42 116.25 114.91 2d01 h VAL 66 Ca -0.19 -2.48 -0.54 0.00 0.82 0.00 0.00 66.70 64.32 2d01 h VAL 66 Cb 1.26 2.77 -0.41 0.00 -1.52 0.00 0.00 31.29 33.39 2d01 h VAL 66 CO -0.05 0.80 -0.97 0.00 0.02 0.00 0.00 177.57 177.36 2d01 n ALA 67 N -2.89 2.99 0.28 1.67 0.00 0.48 -4.94 120.51 118.10 2d01 n ALA 67 Ca -0.24 -3.88 0.13 0.00 0.00 0.00 0.00 53.44 49.44 2d01 n ALA 67 Cb 1.01 -0.85 0.81 0.00 0.00 0.00 0.00 19.45 20.41 2d01 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2d01 h PRO 68 N 3.32 0.00 0.00 0.00 0.13 -1.76 -0.59 132.00 133.09 2d01 h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2d01 h PRO 68 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2d01 h PRO 68 CO 0.61 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2d01 n THR 70 N -2.52 0.00 -2.65 0.00 -2.24 -0.23 -4.65 114.28 101.99 2d01 n THR 70 Ca -0.00 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 2d01 n THR 70 Cb 0.15 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 2d01 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2d01 s ASP 71 N -2.27 6.64 0.06 3.42 2.15 -0.44 -1.46 116.67 124.76 2d01 s ASP 71 Ca 0.29 -1.87 -0.26 0.00 0.43 0.00 0.00 52.55 51.14 2d01 s ASP 71 Cb 0.20 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.37 2d01 s ASP 71 CO 0.44 -1.31 0.76 -0.94 -0.17 0.00 0.00 175.17 173.94 2d01 s SER 72 N 4.46 -0.47 0.48 -0.34 1.04 -1.26 -4.96 113.70 112.65 2d01 s SER 72 Ca 0.46 0.05 0.14 0.00 0.48 0.00 0.00 55.95 57.07 2d01 s SER 72 Cb -0.00 0.48 1.14 0.00 0.10 0.00 0.00 66.02 67.74 2d01 s SER 72 CO -0.05 -0.76 2.09 -0.65 0.98 0.00 0.00 173.24 174.85 2d01 h PRO 73 N 2.07 0.20 0.00 4.02 0.11 -1.94 -0.02 132.00 136.43 2d01 h PRO 73 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2d01 h PRO 73 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2d01 h PRO 73 CO 0.34 0.13 0.00 0.93 -0.21 0.00 0.00 178.00 179.19 2d01 h GLU 74 N 0.20 0.00 0.00 1.05 3.07 -1.96 -3.00 114.58 113.95 2d01 h GLU 74 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2d01 h GLU 74 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2d01 h GLU 74 CO -0.02 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 177.93 2d01 n PHE 75 N -2.99 0.00 -0.34 4.33 -0.00 -1.00 -4.66 117.46 112.80 2d01 n PHE 75 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.56 2d01 n PHE 75 Cb 0.29 0.10 0.30 0.00 -0.00 0.00 0.00 39.48 40.16 2d01 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 2d01 h TYR 76 N 0.00 1.06 -0.61 -5.13 3.20 -0.50 -0.73 116.97 114.26 2d01 h TYR 76 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2d01 h TYR 76 Cb 0.00 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 2d01 h TYR 76 CO 0.00 0.34 0.39 0.78 -1.64 0.00 0.00 178.16 178.03 2d01 h GLY 77 N 0.86 0.87 1.35 1.82 0.00 -0.99 -0.24 103.07 106.73 2d01 h GLY 77 Ca 0.52 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 2d01 h GLY 77 CO -0.30 0.27 -0.16 0.50 0.00 0.00 0.00 176.54 176.85 2d01 h LYS 78 N 0.78 0.77 0.22 4.80 1.57 -1.08 -1.70 116.57 121.92 2d01 h LYS 78 Ca 0.24 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2d01 h LYS 78 Cb -0.03 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2d01 h LYS 78 CO -0.08 0.88 -0.14 0.35 -0.57 0.00 0.00 179.45 179.89 2d01 h PHE 79 N 0.68 -0.37 -0.20 -1.35 3.57 -0.57 -1.55 116.94 117.16 2d01 h PHE 79 Ca 0.11 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 2d01 h PHE 79 Cb 0.65 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2d01 h PHE 79 CO 0.03 -0.23 -0.32 1.57 -2.23 0.00 0.00 178.31 177.14 2d01 h LYS 80 N -0.36 0.40 -0.78 1.11 5.09 -0.95 -0.10 116.57 120.98 2d01 h LYS 80 Ca -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 60.65 60.56 2d01 h LYS 80 Cb 0.30 -0.02 -0.04 0.00 0.10 0.00 0.00 32.23 32.58 2d01 h LYS 80 CO 0.02 0.68 0.49 0.93 -2.09 0.00 0.00 179.45 179.47 2d01 h GLU 81 N 0.35 1.04 -0.03 0.07 5.08 -1.17 -1.26 114.58 118.66 2d01 h GLU 81 Ca 0.04 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2d01 h GLU 81 Cb 0.73 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2d01 h GLU 81 CO 0.06 0.72 -0.82 0.78 -1.00 0.00 0.00 179.01 178.74 2d01 h GLY 82 N 1.06 0.37 1.00 -3.84 0.00 -0.77 -0.31 103.07 100.58 2d01 h GLY 82 Ca 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2d01 h GLY 82 CO -0.06 0.52 0.29 -2.08 0.00 0.00 0.00 176.54 175.21 2d01 h VAL 83 N 0.21 1.11 -0.39 4.60 2.07 -0.84 -1.42 116.25 121.59 2d01 h VAL 83 Ca -0.05 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2d01 h VAL 83 Cb 1.42 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2d01 h VAL 83 CO 0.14 0.11 0.07 0.00 0.02 0.00 0.00 177.57 177.91 2d01 h ALA 84 N 1.16 0.51 0.00 1.67 0.00 -1.10 -3.11 119.26 118.39 2d01 h ALA 84 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2d01 h ALA 84 Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2d01 h ALA 84 CO -0.03 0.21 -0.06 0.66 0.00 0.00 0.00 179.25 180.03 2d01 h SER 85 N 0.49 0.00 0.00 0.00 4.64 -0.96 -3.46 113.55 114.26 2d01 h SER 85 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2d01 h SER 85 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2d01 h SER 85 CO 0.01 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2d01 n GLY 86 N 0.62 0.86 2.53 -0.77 0.00 -0.54 -4.93 105.19 102.96 2d01 n GLY 86 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2d01 n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d01 n ASN 87 N 0.00 4.00 -4.64 1.61 5.15 -1.18 -5.02 115.26 115.19 2d01 n ASN 87 Ca 0.00 -3.51 -0.43 0.00 -0.60 0.00 0.00 54.58 50.04 2d01 n ASN 87 Cb 0.00 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 38.74 2d01 n ASN 87 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2d01 s LEU 88 N -3.44 4.07 -0.35 1.20 2.96 -1.22 -4.89 118.68 117.01 2d01 s LEU 88 Ca 0.44 1.82 -0.02 0.00 -0.22 0.00 0.00 54.13 56.15 2d01 s LEU 88 Cb 0.41 -3.53 0.19 0.00 0.50 0.00 0.00 46.19 43.75 2d01 s LEU 88 CO -0.14 -1.07 0.86 0.21 -1.32 0.00 0.00 176.35 174.88 2d01 s ASN 89 N 3.58 -0.90 -0.04 3.68 2.47 -1.21 -1.00 114.94 121.53 2d01 s ASN 89 Ca 0.69 -0.32 -0.12 0.00 0.42 0.00 0.00 52.86 53.53 2d01 s ASN 89 Cb -0.27 1.24 0.02 0.00 -1.45 0.00 0.00 41.25 40.79 2d01 s ASN 89 CO 0.27 -0.11 0.27 0.28 -3.72 0.00 0.00 177.10 174.09 2d01 s THR 90 N 2.15 0.05 -0.01 -5.21 -1.32 0.18 -4.99 115.64 106.49 2d01 s THR 90 Ca 0.16 -0.40 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 2d01 s THR 90 Cb -0.01 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.44 2d01 s THR 90 CO -0.14 -0.22 -0.09 -0.32 -2.21 0.00 0.00 174.62 171.64 2d01 s MET 91 N -0.96 0.74 0.08 7.08 1.75 -1.26 -0.53 119.30 126.21 2d01 s MET 91 Ca -0.10 -0.32 -0.26 0.00 -1.25 0.00 0.00 55.69 53.76 2d01 s MET 91 Cb -0.05 -0.72 0.08 0.00 2.84 0.00 0.00 34.83 36.99 2d01 s MET 91 CO 0.03 0.18 0.82 -0.59 -0.65 0.00 0.00 175.02 174.81 2d01 s PHE 92 N -0.17 -0.35 0.38 4.11 -0.71 -0.37 -5.00 117.98 115.86 2d01 s PHE 92 Ca 0.03 0.14 -0.06 0.00 -1.04 0.00 0.00 56.93 56.00 2d01 s PHE 92 Cb -0.04 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 2d01 s PHE 92 CO -0.00 -0.72 0.68 -1.21 -1.34 0.00 0.00 175.22 172.63 2d01 s GLU 93 N -3.36 3.65 0.22 1.99 2.02 -1.26 -0.34 118.70 121.61 2d01 s GLU 93 Ca 0.06 0.18 -0.22 0.00 0.02 0.00 0.00 54.97 55.00 2d01 s GLU 93 Cb -0.01 -2.50 0.05 0.00 0.10 0.00 0.00 34.13 31.76 2d01 s GLU 93 CO -0.07 0.03 0.67 -0.47 0.02 0.00 0.00 175.26 175.44 2d01 s TYR 94 N -2.35 -0.35 -0.14 1.61 5.04 -0.46 -4.91 117.35 115.79 2d01 s TYR 94 Ca 0.47 0.02 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 2d01 s TYR 94 Cb -0.10 0.64 0.01 0.00 0.35 0.00 0.00 41.96 42.85 2d01 s TYR 94 CO 0.34 -1.04 -0.22 0.99 -1.34 0.00 0.00 175.55 174.28 2d01 s THR 95 N -3.82 2.09 -0.24 4.34 2.01 -1.26 -0.57 115.64 118.19 2d01 s THR 95 Ca 0.06 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 2d01 s THR 95 Cb -0.04 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 2d01 s THR 95 CO -0.03 0.55 0.15 -0.36 -0.69 0.00 0.00 174.62 174.25 2d01 s PHE 96 N 0.75 3.29 0.00 4.92 0.08 -0.21 -4.91 117.98 121.89 2d01 s PHE 96 Ca -0.09 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.14 2d01 s PHE 96 Cb -0.16 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 2d01 s PHE 96 CO -0.00 0.02 0.55 -0.40 -0.10 0.00 0.00 175.22 175.28 2d01 n ASP 97 N 4.39 0.00 -4.60 1.36 5.68 -1.26 -1.02 116.55 121.09 2d01 n ASP 97 Ca -0.15 -1.29 -0.40 0.00 -0.50 0.00 0.00 54.79 52.45 2d01 n ASP 97 Cb 0.52 -0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 40.36 2d01 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2d01 s TYR 98 N 0.00 3.24 -1.55 2.11 5.04 -1.26 -4.33 117.35 120.60 2d01 s TYR 98 Ca 0.00 0.41 -0.14 0.00 -2.44 0.00 0.00 57.07 54.90 2d01 s TYR 98 Cb 0.00 -2.66 0.09 0.00 0.35 0.00 0.00 41.96 39.74 2d01 s TYR 98 CO 0.00 -0.29 0.93 1.04 -1.34 0.00 0.00 175.55 175.89 2d01 n GLN 99 N 5.44 -5.12 -3.47 4.97 6.02 -1.26 -4.96 117.38 119.00 2d01 n GLN 99 Ca -0.07 0.56 -0.11 0.00 -0.01 0.00 0.00 57.00 57.37 2d01 n GLN 99 Cb 0.50 -5.40 -0.02 0.00 1.02 0.00 0.00 30.24 26.34 2d01 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d01 s MET 100 N -6.64 1.22 0.33 -1.09 0.23 -1.26 -4.89 119.30 107.20 2d01 s MET 100 Ca 0.63 -0.47 -0.29 0.00 -1.03 0.00 0.00 55.69 54.54 2d01 s MET 100 Cb -0.32 0.54 -0.11 0.00 -1.53 0.00 0.00 34.83 33.42 2d01 s MET 100 CO 0.85 -0.53 1.41 -0.08 -2.03 0.00 0.00 175.02 174.63 2d01 s THR 101 N -3.62 2.43 0.04 3.16 -1.32 -1.26 -4.71 115.64 110.36 2d01 s THR 101 Ca 0.03 0.42 -0.34 0.00 -1.21 0.00 0.00 61.69 60.58 2d01 s THR 101 Cb -0.01 -3.26 -0.13 0.00 -1.51 0.00 0.00 72.50 67.59 2d01 s THR 101 CO -0.11 0.09 1.74 -2.65 -2.21 0.00 0.00 174.62 171.48 2d01 n PRO 102 N 0.97 2.21 -4.03 7.08 -0.02 -1.26 -4.69 135.00 135.27 2d01 n PRO 102 Ca 0.02 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 62.05 2d01 n PRO 102 Cb 0.40 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.10 2d01 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2d01 s THR 103 N 2.50 0.86 0.11 3.45 2.01 -0.19 -4.97 115.64 119.41 2d01 s THR 103 Ca 0.85 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 2d01 s THR 103 Cb -0.67 -0.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 2d01 s THR 103 CO 0.44 0.33 1.03 -0.54 -0.69 0.00 0.00 174.62 175.19 2d01 s LYS 104 N 1.48 4.62 0.16 4.92 1.02 -1.26 -1.05 119.74 129.63 2d01 s LYS 104 Ca -0.00 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.54 2d01 s LYS 104 Cb -0.13 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2d01 s LYS 104 CO -0.05 0.08 0.04 0.14 -0.92 0.00 0.00 175.35 174.64 2d01 s VAL 105 N 0.22 0.39 -0.08 3.17 -7.23 0.27 -2.21 120.40 114.93 2d01 s VAL 105 Ca 0.50 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2d01 s VAL 105 Cb -0.25 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2d01 s VAL 105 CO 0.31 -0.43 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.82 2d01 s LYS 106 N -3.99 2.85 -0.03 4.82 2.20 0.10 -1.36 119.74 124.33 2d01 s LYS 106 Ca 0.25 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 2d01 s LYS 106 Cb 0.07 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 2d01 s LYS 106 CO 0.04 0.56 -0.26 0.08 -0.36 0.00 0.00 175.35 175.41 2d01 s VAL 107 N -0.54 2.04 -0.14 4.02 1.01 0.54 -1.48 120.40 125.85 2d01 s VAL 107 Ca 0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2d01 s VAL 107 Cb -0.12 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.59 2d01 s VAL 107 CO 0.02 0.58 -0.06 -2.28 0.00 0.00 0.00 175.10 173.35 2d01 s HIS 108 N -0.51 1.56 -0.13 5.22 2.46 -0.23 -1.24 115.29 122.42 2d01 s HIS 108 Ca 0.07 -0.88 -0.05 0.00 0.47 0.00 0.00 55.06 54.67 2d01 s HIS 108 Cb -0.11 -1.26 -0.04 0.00 -0.13 0.00 0.00 32.58 31.05 2d01 s HIS 108 CO 0.00 -0.56 0.05 -1.64 -2.47 0.00 0.00 174.74 170.12 2d01 s MET 109 N 1.68 3.47 -0.14 2.88 -1.94 0.31 -0.22 119.30 125.33 2d01 s MET 109 Ca 0.03 -0.33 -0.10 0.00 -1.71 0.00 0.00 55.69 53.58 2d01 s MET 109 Cb -0.14 -3.03 0.05 0.00 2.01 0.00 0.00 34.83 33.72 2d01 s MET 109 CO -0.08 0.55 0.36 0.21 -0.01 0.00 0.00 175.02 176.05 2d01 s LYS 110 N -0.41 0.37 0.30 2.03 2.20 -0.30 -0.65 119.74 123.28 2d01 s LYS 110 Ca 0.09 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 2d01 s LYS 110 Cb -0.12 0.05 -0.12 0.00 -1.51 0.00 0.00 37.83 36.13 2d01 s LYS 110 CO 0.02 -0.11 1.46 1.17 -0.36 0.00 0.00 175.35 177.52 2d01 n LYS 111 N 3.69 2.37 -1.84 4.03 4.81 -0.17 -0.28 118.16 130.76 2d01 n LYS 111 Ca -0.19 0.84 -0.30 0.00 -0.87 0.00 0.00 58.31 57.78 2d01 n LYS 111 Cb 0.56 -2.53 0.05 0.00 0.02 0.00 0.00 35.03 33.13 2d01 n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2d01 s ALA 112 N -0.41 2.83 0.16 3.14 0.00 -0.55 -4.79 121.76 122.14 2d01 s ALA 112 Ca 0.62 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 2d01 s ALA 112 Cb -0.56 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 2d01 s ALA 112 CO 0.54 -1.18 1.39 -0.07 0.00 0.00 0.00 175.76 176.44 2d01 h LEU 113 N -0.69 0.57-10.18 0.00 3.38 -1.86 -3.46 115.31 103.06 2d01 h LEU 113 Ca -0.45 -0.38 -0.50 0.00 0.09 0.00 0.00 57.88 56.64 2d01 h LEU 113 Cb 1.25 -0.17 0.08 0.00 0.09 0.00 0.00 40.66 41.91 2d01 h LEU 113 CO 0.63 1.14 0.38 -0.94 0.09 0.00 0.00 178.44 179.74 2d01 s SER 114 N -7.01 5.52 0.26 -0.43 1.04 -1.26 -4.96 113.70 106.85 2d01 s SER 114 Ca -0.06 1.93 -0.30 0.00 0.48 0.00 0.00 55.95 57.99 2d01 s SER 114 Cb 0.10 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.57 2d01 s SER 114 CO 0.85 -1.35 1.51 -0.83 0.98 0.00 0.00 173.24 174.40 2d01 s GLY 115 N -2.58 2.21 -1.30 7.32 0.00 -1.26 -3.37 107.32 108.34 2d01 s GLY 115 Ca 0.66 1.43 -0.05 0.00 0.00 0.00 0.00 44.72 46.76 2d01 s GLY 115 CO 0.37 2.41 0.63 1.34 0.00 0.00 0.00 173.10 177.84 2d01 n ASP 116 N 2.33 -1.91 -3.83 1.64 4.64 -1.26 -4.99 116.55 113.17 2d01 n ASP 116 Ca 0.08 -0.92 -0.13 0.00 -1.38 0.00 0.00 54.79 52.43 2d01 n ASP 116 Cb 0.39 -3.60 -0.14 0.00 -1.04 0.00 0.00 41.12 36.73 2d01 n ASP 116 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2d01 s SER 117 N -4.15 -0.04 -0.02 1.67 0.15 -1.22 -4.09 113.70 106.01 2d01 s SER 117 Ca 0.12 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2d01 s SER 117 Cb -0.04 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2d01 s SER 117 CO 0.85 -0.05 0.03 -0.31 1.20 0.00 0.00 173.24 174.95 2d01 s TYR 118 N 0.33 0.05 0.11 3.44 1.51 0.55 -1.47 117.35 121.85 2d01 s TYR 118 Ca -0.02 0.12 -0.16 0.00 -1.01 0.00 0.00 57.07 56.00 2d01 s TYR 118 Cb -0.04 -0.24 -0.07 0.00 -0.11 0.00 0.00 41.96 41.50 2d01 s TYR 118 CO -0.01 -0.09 0.54 -1.58 -1.11 0.00 0.00 175.55 173.29 2d01 s TRP 119 N 1.04 3.68 -0.21 2.71 0.52 0.62 -0.27 118.94 127.04 2d01 s TRP 119 Ca -0.09 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.16 2d01 s TRP 119 Cb -0.13 -2.39 0.04 0.00 -1.15 0.00 0.00 33.47 29.84 2d01 s TRP 119 CO -0.03 0.51 -0.14 0.08 0.02 0.00 0.00 176.95 177.39 2d01 s VAL 120 N -1.31 1.90 -0.01 4.03 1.01 0.44 -1.15 120.40 125.31 2d01 s VAL 120 Ca 0.33 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2d01 s VAL 120 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2d01 s VAL 120 CO 0.18 0.25 -0.01 -0.36 0.00 0.00 0.00 175.10 175.16 2d01 s PHE 121 N 1.29 3.05 -0.01 5.22 0.08 0.69 -0.78 117.98 127.52 2d01 s PHE 121 Ca -0.01 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.12 2d01 s PHE 121 Cb -0.16 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2d01 s PHE 121 CO -0.09 0.44 -0.00 0.08 -0.10 0.00 0.00 175.22 175.55 2d01 s VAL 122 N -1.04 0.07 0.04 -0.44 1.01 -0.19 -1.07 120.40 118.78 2d01 s VAL 122 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 2d01 s VAL 122 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2d01 s VAL 122 CO 0.08 0.05 -0.02 -1.59 0.00 0.00 0.00 175.10 173.62 2d01 s LYS 123 N 0.27 0.47 0.50 2.72 -2.85 -0.55 -0.32 119.74 119.98 2d01 s LYS 123 Ca -0.02 -0.92 -0.21 0.00 -1.00 0.00 0.00 55.97 53.81 2d01 s LYS 123 Cb -0.04 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.83 2d01 s LYS 123 CO -0.01 -0.09 1.15 1.03 0.10 0.00 0.00 175.35 177.54 2d01 s ARG 124 N -2.75 3.57 0.00 1.78 0.52 -1.26 -0.72 118.95 120.09 2d01 s ARG 124 Ca -0.04 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 2d01 s ARG 124 Cb -0.01 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2d01 s ARG 124 CO -0.06 -0.69 0.33 1.33 0.02 0.00 0.00 175.30 176.24