#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t19 s GLU 2 N 0.00 4.30 -0.84 2.12 0.41 0.32 -5.00 118.70 120.01 1t19 s GLU 2 Ca 0.00 0.90 -0.20 0.00 -0.41 0.00 0.00 54.97 55.26 1t19 s GLU 2 Cb 0.00 -3.55 0.11 0.00 -1.78 0.00 0.00 34.13 28.91 1t19 s GLU 2 CO 0.00 -0.23 1.08 -1.01 -0.49 0.00 0.00 175.26 174.60 1t19 s HIS 3 N 1.83 2.97 -0.02 1.61 3.76 -1.26 -4.48 115.29 119.70 1t19 s HIS 3 Ca 0.36 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1t19 s HIS 3 Cb -0.17 -4.29 0.02 0.00 1.11 0.00 0.00 32.58 29.25 1t19 s HIS 3 CO 0.13 -1.54 0.01 0.08 -0.85 0.00 0.00 174.74 172.56 1t19 s VAL 4 N 3.15 0.09 -0.12 -0.90 1.01 -1.26 -5.15 120.40 117.22 1t19 s VAL 4 Ca 0.29 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1t19 s VAL 4 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1t19 s VAL 4 CO -0.03 0.10 0.43 0.00 0.00 0.00 0.00 175.10 175.59 1t19 s ALA 5 N 0.80 3.51 0.05 5.51 0.00 -1.26 -4.67 121.76 125.70 1t19 s ALA 5 Ca -0.07 -0.26 -0.37 0.00 0.00 0.00 0.00 51.96 51.26 1t19 s ALA 5 Cb -0.11 -2.57 -0.17 0.00 0.00 0.00 0.00 23.12 20.28 1t19 s ALA 5 CO -0.02 0.05 1.38 0.34 0.00 0.00 0.00 175.76 177.51 1t19 n PHE 6 N 3.56 1.55 -0.06 0.00 -0.00 -1.26 -1.21 117.46 120.04 1t19 n PHE 6 Ca -0.09 0.64 0.00 0.00 -0.00 0.00 0.00 57.45 58.00 1t19 n PHE 6 Cb 0.52 -2.34 0.00 0.00 -0.00 0.00 0.00 39.48 37.66 1t19 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1t19 n GLY 7 N 2.68 1.45 3.55 7.13 0.00 -1.26 -5.03 105.19 113.71 1t19 n GLY 7 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1t19 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t19 n SER 8 N 0.00 0.51 0.02 1.61 7.64 -0.35 -4.93 113.62 118.13 1t19 n SER 8 Ca 0.00 1.03 -0.13 0.00 1.01 0.00 0.00 58.87 60.78 1t19 n SER 8 Cb 0.00 -1.25 -0.09 0.00 -1.01 0.00 0.00 64.21 61.86 1t19 n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1t19 h GLU 9 N 1.38 -0.07 -1.32 1.43 3.07 -1.96 -2.99 114.58 114.11 1t19 h GLU 9 Ca -0.41 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.16 1t19 h GLU 9 Cb 1.36 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 29.15 1t19 h GLU 9 CO 0.56 0.35 0.37 -0.25 -1.40 0.00 0.00 179.01 178.65 1t19 n ASP 10 N -4.92 5.26 -0.30 1.42 8.00 -1.26 -4.45 116.55 120.30 1t19 n ASP 10 Ca -0.08 -2.94 0.03 0.00 0.71 0.00 0.00 54.79 52.50 1t19 n ASP 10 Cb 0.23 -0.91 0.23 0.00 -0.02 0.00 0.00 41.12 40.66 1t19 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1t19 h ILE 11 N 0.80 1.09 0.00 0.53 2.10 -1.90 -1.13 117.51 119.00 1t19 h ILE 11 Ca 0.29 -0.36 -0.03 0.00 1.08 0.00 0.00 64.86 65.84 1t19 h ILE 11 Cb 1.29 -0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1t19 h ILE 11 CO 0.66 0.19 -0.17 1.05 -1.08 0.00 0.00 178.15 178.81 1t19 h GLU 12 N 1.05 0.00 -0.04 2.19 9.09 -1.87 -2.04 114.58 122.96 1t19 h GLU 12 Ca 0.38 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.62 1t19 h GLU 12 Cb 0.14 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1t19 h GLU 12 CO -0.13 0.17 -0.63 -0.91 0.05 0.00 0.00 179.01 177.56 1t19 h ASN 13 N 0.00 0.62 -0.78 3.06 4.21 -1.57 -3.04 115.58 118.08 1t19 h ASN 13 Ca -0.00 -0.72 -0.02 0.00 1.21 0.00 0.00 56.30 56.77 1t19 h ASN 13 Cb 0.32 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 1t19 h ASN 13 CO 0.02 1.25 0.41 0.74 -1.29 0.00 0.00 177.43 178.56 1t19 h THR 14 N 0.04 1.24 0.00 2.81 2.02 -1.20 -2.79 112.91 115.04 1t19 h THR 14 Ca -0.07 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1t19 h THR 14 Cb 1.31 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1t19 h THR 14 CO 0.13 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.47 1t19 n LEU 15 N -4.41 0.00 0.15 2.58 4.32 -0.79 -2.93 117.00 115.92 1t19 n LEU 15 Ca 0.07 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1t19 n LEU 15 Cb 0.11 -0.40 0.22 0.00 -1.62 0.00 0.00 43.42 41.72 1t19 n LEU 15 CO 0.38 -0.00 0.55 0.00 -1.22 0.00 0.00 177.39 177.10 1t19 h ALA 16 N 3.18 1.02 0.00 -1.18 0.00 -1.37 -3.04 119.26 117.87 1t19 h ALA 16 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1t19 h ALA 16 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1t19 h ALA 16 CO 0.00 0.69 -0.02 1.57 0.00 0.00 0.00 179.25 181.49 1t19 h LYS 17 N 0.00 0.00 -6.99 0.00 2.10 -1.66 -3.47 116.57 106.56 1t19 h LYS 17 Ca -0.01 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.16 1t19 h LYS 17 Cb 1.02 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.39 1t19 h LYS 17 CO 0.07 0.00 0.12 -1.64 -2.00 0.00 0.00 179.45 176.00 1t19 s MET 18 N -3.15 3.20 0.32 0.07 -1.94 -1.15 -5.11 119.30 111.54 1t19 s MET 18 Ca 0.09 0.03 0.01 0.00 -1.71 0.00 0.00 55.69 54.10 1t19 s MET 18 Cb 0.09 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.59 1t19 s MET 18 CO 0.63 -0.44 0.05 -0.25 -0.01 0.00 0.00 175.02 175.00 1t19 n ASP 19 N -2.39 2.72 -0.18 3.03 10.43 -1.26 -4.96 116.55 123.93 1t19 n ASP 19 Ca 0.02 -2.33 -0.05 0.00 2.57 0.00 0.00 54.79 55.00 1t19 n ASP 19 Cb 0.57 0.17 0.04 0.00 1.84 0.00 0.00 41.12 43.74 1t19 n ASP 19 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 1t19 h ASP 20 N 0.68 0.54 0.51 -2.24 3.04 -1.99 0.14 116.42 117.10 1t19 h ASP 20 Ca -0.25 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 1t19 h ASP 20 Cb 0.79 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 38.95 1t19 h ASP 20 CO 0.41 0.38 -0.43 1.23 -2.04 0.00 0.00 179.24 178.80 1t19 h GLY 21 N 0.66 -1.07 2.00 7.15 0.00 -2.01 -2.42 103.07 107.39 1t19 h GLY 21 Ca 0.22 0.49 -0.00 0.00 0.00 0.00 0.00 47.33 48.03 1t19 h GLY 21 CO -0.09 -0.36 -0.01 1.46 0.00 0.00 0.00 176.54 177.54 1t19 h GLN 22 N -0.92 0.00 -0.23 4.80 4.20 -1.91 -1.15 115.11 119.89 1t19 h GLN 22 Ca -0.06 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1t19 h GLN 22 Cb 0.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1t19 h GLN 22 CO -0.02 0.01 -0.21 -0.07 -0.67 0.00 0.00 178.83 177.88 1t19 h LEU 23 N 0.00 0.41 -0.67 1.46 3.38 -0.45 -2.37 115.31 117.07 1t19 h LEU 23 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1t19 h LEU 23 Cb 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1t19 h LEU 23 CO 0.00 0.63 0.00 0.47 0.09 0.00 0.00 178.44 179.63 1t19 n ASP 24 N -4.16 0.48 -1.34 -0.43 8.00 -0.44 -2.39 116.55 116.27 1t19 n ASP 24 Ca -0.00 0.64 0.06 0.00 0.71 0.00 0.00 54.79 56.20 1t19 n ASP 24 Cb 0.36 -0.73 0.27 0.00 -0.02 0.00 0.00 41.12 41.00 1t19 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t19 n GLY 25 N -0.37 2.24 3.87 0.44 0.00 -0.89 -4.62 105.19 105.87 1t19 n GLY 25 Ca 0.02 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1t19 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t19 s LEU 26 N -1.68 3.97 0.01 0.99 1.43 -1.00 0.12 118.68 122.51 1t19 s LEU 26 Ca 0.38 1.07 0.25 0.00 -1.03 0.00 0.00 54.13 54.80 1t19 s LEU 26 Cb 0.26 -3.91 1.06 0.00 0.03 0.00 0.00 46.19 43.64 1t19 s LEU 26 CO 0.15 -0.28 1.80 0.00 0.23 0.00 0.00 176.35 178.26 1t19 n ALA 27 N -0.87 2.15 -2.19 4.21 0.00 -1.26 -4.77 120.51 117.78 1t19 n ALA 27 Ca 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1t19 n ALA 27 Cb 0.54 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1t19 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1t19 s PHE 28 N -3.01 0.97 0.28 0.00 -0.12 -1.26 -5.03 117.98 109.82 1t19 s PHE 28 Ca 0.12 -0.97 -0.30 0.00 -0.05 0.00 0.00 56.93 55.73 1t19 s PHE 28 Cb 0.16 -0.56 -0.11 0.00 -0.63 0.00 0.00 43.02 41.88 1t19 s PHE 28 CO 0.46 -0.20 1.61 0.20 -0.05 0.00 0.00 175.22 177.24 1t19 s GLY 29 N -3.08 2.01 -0.04 1.99 0.00 0.42 -4.67 107.32 103.95 1t19 s GLY 29 Ca 0.16 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.46 1t19 s GLY 29 CO -0.02 2.60 -0.00 0.00 0.00 0.00 0.00 173.10 175.67 1t19 s ALA 30 N 0.12 0.45 -0.08 3.20 0.00 -1.26 -1.35 121.76 122.85 1t19 s ALA 30 Ca 0.65 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1t19 s ALA 30 Cb -0.48 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1t19 s ALA 30 CO 0.46 -0.16 -0.11 0.42 0.00 0.00 0.00 175.76 176.37 1t19 s ILE 31 N 1.26 1.14 -0.24 0.00 1.01 0.47 -1.79 121.20 123.05 1t19 s ILE 31 Ca -0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1t19 s ILE 31 Cb -0.13 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1t19 s ILE 31 CO -0.02 0.36 0.07 -1.58 0.00 0.00 0.00 174.94 173.77 1t19 s GLN 32 N 0.92 3.71 0.17 2.79 0.74 -0.39 0.26 119.66 127.85 1t19 s GLN 32 Ca -0.10 -0.45 0.08 0.00 0.05 0.00 0.00 55.36 54.93 1t19 s GLN 32 Cb -0.15 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 1t19 s GLN 32 CO 0.01 -0.12 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.08 1t19 s LEU 33 N 1.43 3.20 0.00 3.68 1.43 0.10 0.33 118.68 128.84 1t19 s LEU 33 Ca 0.05 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1t19 s LEU 33 Cb -0.15 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.31 1t19 s LEU 33 CO 0.04 0.11 0.76 -0.90 0.23 0.00 0.00 176.35 176.59 1t19 n ASP 34 N 0.04 0.56 0.09 2.29 5.68 -0.21 -0.93 116.55 124.07 1t19 n ASP 34 Ca -0.10 -1.58 0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1t19 n ASP 34 Cb 0.55 -0.54 0.44 0.00 -1.14 0.00 0.00 41.12 40.43 1t19 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t19 n GLY 35 N -0.43 -1.28 1.04 6.12 0.00 -1.18 -2.41 105.19 107.05 1t19 n GLY 35 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1t19 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t19 n ASP 36 N -2.02 3.22 0.00 1.61 8.00 -1.26 -4.94 116.55 121.16 1t19 n ASP 36 Ca 0.03 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1t19 n ASP 36 Cb 0.25 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1t19 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t19 n GLY 37 N 1.39 0.63 3.77 0.44 0.00 -1.01 -4.93 105.19 105.47 1t19 n GLY 37 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1t19 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t19 s ASN 38 N -2.79 7.12 -0.24 1.61 0.01 -1.26 -1.13 114.94 118.25 1t19 s ASN 38 Ca 0.00 2.03 -0.25 0.00 -0.71 0.00 0.00 52.86 53.93 1t19 s ASN 38 Cb 0.00 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1t19 s ASN 38 CO 0.00 -0.24 0.87 -0.63 -1.51 0.00 0.00 177.10 175.59 1t19 s ILE 39 N -1.49 4.81 -0.27 0.60 1.01 -0.49 -1.04 121.20 124.34 1t19 s ILE 39 Ca 0.51 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.76 1t19 s ILE 39 Cb -0.24 -4.15 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 1t19 s ILE 39 CO 0.30 -0.10 -0.27 0.18 0.00 0.00 0.00 174.94 175.06 1t19 n LEU 40 N 6.07 2.58 -4.14 2.97 4.77 0.15 -0.95 117.00 128.45 1t19 n LEU 40 Ca 0.07 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1t19 n LEU 40 Cb 0.47 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 1t19 n LEU 40 CO 0.48 0.80 -0.43 -1.10 -1.33 0.00 0.00 177.39 175.81 1t19 s GLN 41 N -2.52 0.74 -0.29 3.23 -1.52 -1.08 -4.88 119.66 113.34 1t19 s GLN 41 Ca -0.36 -0.96 0.01 0.00 -1.95 0.00 0.00 55.36 52.09 1t19 s GLN 41 Cb 0.11 -0.56 0.18 0.00 -0.22 0.00 0.00 33.01 32.53 1t19 s GLN 41 CO 0.56 0.11 0.56 -0.47 -0.25 0.00 0.00 175.29 175.80 1t19 s TYR 42 N -1.71 -1.55 0.73 0.91 6.14 -1.26 -1.26 117.35 119.35 1t19 s TYR 42 Ca -0.02 1.41 -0.03 0.00 0.64 0.00 0.00 57.07 59.07 1t19 s TYR 42 Cb -0.07 0.42 0.12 0.00 0.42 0.00 0.00 41.96 42.84 1t19 s TYR 42 CO 0.01 -0.91 1.01 0.54 0.64 0.00 0.00 175.55 176.84 1t19 s ASN 43 N 2.80 4.34 0.17 4.32 4.22 -0.74 -4.74 114.94 125.31 1t19 s ASN 43 Ca 0.17 -0.18 -0.14 0.00 -2.14 0.00 0.00 52.86 50.56 1t19 s ASN 43 Cb -0.14 -0.23 0.10 0.00 1.28 0.00 0.00 41.25 42.26 1t19 s ASN 43 CO -0.22 -1.87 1.78 0.00 -2.04 0.00 0.00 177.10 174.75 1t19 h ALA 44 N -0.60 0.56 -0.84 3.54 0.00 -1.83 -2.71 119.26 117.37 1t19 h ALA 44 Ca -0.39 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1t19 h ALA 44 Cb 1.27 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1t19 h ALA 44 CO 0.43 -0.15 0.44 0.00 0.00 0.00 0.00 179.25 179.97 1t19 h ALA 45 N 1.25 1.08 -0.55 0.00 0.00 -1.85 -2.13 119.26 117.07 1t19 h ALA 45 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1t19 h ALA 45 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1t19 h ALA 45 CO -0.15 0.61 0.33 0.37 0.00 0.00 0.00 179.25 180.41 1t19 h GLN 46 N 1.18 0.74 -0.84 0.00 5.75 -1.76 -1.88 115.11 118.29 1t19 h GLN 46 Ca 0.29 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.84 1t19 h GLN 46 Cb 0.06 -0.16 -0.08 0.00 1.07 0.00 0.00 27.48 28.37 1t19 h GLN 46 CO -0.04 0.53 0.47 0.78 -2.65 0.00 0.00 178.83 177.92 1t19 h GLY 47 N 0.74 1.34 0.96 2.39 0.00 -1.30 -0.26 103.07 106.93 1t19 h GLY 47 Ca 0.20 -0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.33 1t19 h GLY 47 CO -0.04 0.08 0.43 -0.55 0.00 0.00 0.00 176.54 176.46 1t19 h ASP 48 N 0.75 0.40 0.08 0.19 3.32 -0.69 0.55 116.42 121.02 1t19 h ASP 48 Ca 0.43 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.34 1t19 h ASP 48 Cb 0.47 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1t19 h ASP 48 CO -0.29 0.24 -0.68 0.40 -1.72 0.00 0.00 179.24 177.19 1t19 h ILE 49 N 0.44 1.49 0.00 0.35 2.04 -0.61 -3.39 117.51 117.83 1t19 h ILE 49 Ca 0.30 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1t19 h ILE 49 Cb 0.59 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1t19 h ILE 49 CO -0.09 0.65 -1.49 0.35 0.00 0.00 0.00 178.15 177.57 1t19 n THR 50 N -4.27 0.03 -0.89 -0.27 -2.24 -0.61 -4.97 114.28 101.05 1t19 n THR 50 Ca -0.16 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1t19 n THR 50 Cb 0.72 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1t19 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t19 n GLY 51 N 1.37 0.73 3.81 3.38 0.00 0.19 -4.95 105.19 109.71 1t19 n GLY 51 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1t19 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t19 s ARG 52 N -0.11 4.29 -0.44 1.61 3.00 -1.21 -5.01 118.95 121.08 1t19 s ARG 52 Ca 0.00 1.19 -0.23 0.00 0.00 0.00 0.00 55.73 56.68 1t19 s ARG 52 Cb 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 34.95 32.66 1t19 s ARG 52 CO 0.00 0.02 0.79 0.34 0.00 0.00 0.00 175.30 176.44 1t19 s ASP 53 N -2.03 6.42 0.30 0.23 3.68 -1.26 -4.36 116.67 119.64 1t19 s ASP 53 Ca 0.60 -0.07 0.00 0.00 2.13 0.00 0.00 52.55 55.21 1t19 s ASP 53 Cb -0.12 -2.39 0.69 0.00 -1.45 0.00 0.00 42.92 39.65 1t19 s ASP 53 CO 0.16 -0.90 1.52 -2.65 0.13 0.00 0.00 175.17 173.43 1t19 n PRO 54 N 6.70 -0.08 0.10 4.34 -0.02 -1.26 -0.10 135.00 144.68 1t19 n PRO 54 Ca 0.02 1.47 -0.05 0.00 -2.02 0.00 0.00 63.50 62.92 1t19 n PRO 54 Cb 0.48 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1t19 n PRO 54 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1t19 h LYS 55 N 0.00 0.10 0.00 -0.52 1.57 -1.93 -3.25 116.57 112.55 1t19 h LYS 55 Ca 0.57 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1t19 h LYS 55 Cb 1.12 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1t19 h LYS 55 CO -0.93 0.79 0.00 1.04 -0.57 0.00 0.00 179.45 179.78 1t19 n GLN 56 N -3.72 0.13 -0.00 3.15 6.02 0.85 -3.28 117.38 120.53 1t19 n GLN 56 Ca -0.02 0.23 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 1t19 n GLN 56 Cb 0.71 -1.69 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 1t19 n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1t19 n VAL 57 N -1.93 0.00 -1.68 5.09 0.24 -1.19 -4.89 118.33 113.97 1t19 n VAL 57 Ca 0.05 -0.28 -0.47 0.00 -2.04 0.00 0.00 64.34 61.60 1t19 n VAL 57 Cb 0.30 0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.96 1t19 n VAL 57 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1t19 n ILE 58 N -1.84 0.35 0.00 1.34 2.08 -1.21 -0.43 119.36 119.65 1t19 n ILE 58 Ca -0.02 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1t19 n ILE 58 Cb 0.31 -1.77 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 1t19 n ILE 58 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1t19 n GLY 59 N 4.02 3.01 3.88 7.39 0.00 -0.13 -5.01 105.19 118.34 1t19 n GLY 59 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1t19 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t19 s LYS 60 N -0.62 3.62 -0.18 1.61 1.02 0.42 -4.69 119.74 120.93 1t19 s LYS 60 Ca 0.00 0.64 -0.25 0.00 0.02 0.00 0.00 55.97 56.38 1t19 s LYS 60 Cb 0.00 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1t19 s LYS 60 CO 0.00 -0.46 0.83 1.21 -0.92 0.00 0.00 175.35 176.01 1t19 s ASN 61 N -4.06 6.94 0.15 2.83 3.84 -1.26 -1.39 114.94 121.99 1t19 s ASN 61 Ca 0.54 1.16 -0.14 0.00 0.21 0.00 0.00 52.86 54.62 1t19 s ASN 61 Cb -0.11 -2.45 0.03 0.00 -0.55 0.00 0.00 41.25 38.18 1t19 s ASN 61 CO 0.50 -0.41 1.72 0.15 -2.79 0.00 0.00 177.10 176.26 1t19 h PHE 62 N 7.37 0.74 0.08 0.43 3.57 -1.47 0.90 116.94 128.55 1t19 h PHE 62 Ca -0.29 -0.05 -0.25 0.00 3.53 0.00 0.00 57.97 60.91 1t19 h PHE 62 Cb 1.13 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1t19 h PHE 62 CO 0.72 0.61 -1.18 0.74 -2.23 0.00 0.00 178.31 176.97 1t19 h PHE 63 N 0.66 0.32 0.08 0.41 0.04 -1.81 0.77 116.94 117.40 1t19 h PHE 63 Ca 0.17 -0.24 -0.35 0.00 2.80 0.00 0.00 57.97 60.35 1t19 h PHE 63 Cb 0.17 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1t19 h PHE 63 CO 0.00 1.19 -1.97 1.17 -0.60 0.00 0.00 178.31 178.10 1t19 n LYS 64 N -3.46 0.71 -0.09 1.51 4.81 -1.22 -4.09 118.16 116.33 1t19 n LYS 64 Ca -0.06 0.25 -0.18 0.00 -0.87 0.00 0.00 58.31 57.46 1t19 n LYS 64 Cb 1.00 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 34.28 1t19 n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1t19 n ASP 65 N -3.32 1.56 -0.01 3.14 8.00 0.26 -4.77 116.55 121.42 1t19 n ASP 65 Ca -0.29 0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.27 1t19 n ASP 65 Cb 1.05 -0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 1t19 n ASP 65 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1t19 n VAL 66 N -4.04 1.75 -3.23 2.53 0.31 -0.91 -4.68 118.33 110.06 1t19 n VAL 66 Ca -0.32 -0.66 -0.24 0.00 -0.01 0.00 0.00 64.34 63.11 1t19 n VAL 66 Cb 0.67 -1.66 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 1t19 n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t19 n ALA 67 N -3.00 3.15 0.31 3.52 0.00 0.27 -4.92 120.51 119.84 1t19 n ALA 67 Ca -0.33 -3.99 0.18 0.00 0.00 0.00 0.00 53.44 49.31 1t19 n ALA 67 Cb 1.04 -0.85 1.02 0.00 0.00 0.00 0.00 19.45 20.67 1t19 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t19 h PRO 68 N 3.77 0.00 0.00 0.00 0.13 -1.74 -1.06 132.00 133.10 1t19 h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1t19 h PRO 68 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1t19 h PRO 68 CO 0.63 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 1t19 n THR 70 N -1.82 0.00 -2.33 0.00 -2.24 -0.40 -4.66 114.28 102.83 1t19 n THR 70 Ca 0.03 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1t19 n THR 70 Cb 0.19 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1t19 n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1t19 n ASP 71 N -0.39 4.03 -3.58 3.42 -0.08 -0.38 -1.50 116.55 118.07 1t19 n ASP 71 Ca 0.10 -2.81 -0.11 0.00 -1.51 0.00 0.00 54.79 50.46 1t19 n ASP 71 Cb 0.42 -1.75 -0.03 0.00 2.34 0.00 0.00 41.12 42.10 1t19 n ASP 71 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1t19 s SER 72 N 5.32 -0.41 0.60 1.67 0.15 -1.26 -4.96 113.70 114.81 1t19 s SER 72 Ca 0.61 -0.23 0.37 0.00 0.70 0.00 0.00 55.95 57.39 1t19 s SER 72 Cb 0.02 0.59 1.87 0.00 -1.71 0.00 0.00 66.02 66.78 1t19 s SER 72 CO 0.11 -1.01 2.19 -0.65 1.20 0.00 0.00 173.24 175.07 1t19 h PRO 73 N 2.11 0.00 0.00 5.44 0.11 -1.94 -0.39 132.00 137.33 1t19 h PRO 73 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1t19 h PRO 73 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1t19 h PRO 73 CO 0.38 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 179.12 1t19 h GLU 74 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.19 114.58 113.55 1t19 h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1t19 h GLU 74 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1t19 h GLU 74 CO 0.00 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 177.95 1t19 n PHE 75 N -3.01 0.00 -0.28 4.33 -0.00 -1.02 -4.70 117.46 112.79 1t19 n PHE 75 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.46 1t19 n PHE 75 Cb 0.45 0.18 0.10 0.00 -0.00 0.00 0.00 39.48 40.22 1t19 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1t19 h TYR 76 N 0.00 0.91 -0.94 -5.13 3.20 -0.06 -1.88 116.97 113.07 1t19 h TYR 76 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1t19 h TYR 76 Cb 0.00 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 1t19 h TYR 76 CO 0.00 0.50 0.60 0.78 -1.64 0.00 0.00 178.16 178.40 1t19 h GLY 77 N 0.93 1.35 1.23 1.82 0.00 -1.18 -0.26 103.07 106.95 1t19 h GLY 77 Ca 0.32 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1t19 h GLY 77 CO -0.13 0.52 0.04 0.50 0.00 0.00 0.00 176.54 177.47 1t19 h LYS 78 N 1.29 0.94 -0.36 4.80 1.57 -1.46 -2.55 116.57 120.81 1t19 h LYS 78 Ca 0.34 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1t19 h LYS 78 Cb -0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1t19 h LYS 78 CO -0.07 0.91 0.02 0.35 -0.57 0.00 0.00 179.45 180.09 1t19 h PHE 79 N 0.88 0.66 0.00 -1.35 3.57 -0.65 -2.66 116.94 117.39 1t19 h PHE 79 Ca 0.17 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1t19 h PHE 79 Cb 0.46 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1t19 h PHE 79 CO 0.03 0.70 -0.31 1.57 -2.23 0.00 0.00 178.31 178.07 1t19 h LYS 80 N 0.44 0.00 -0.13 1.11 2.10 -0.95 -1.86 116.57 117.27 1t19 h LYS 80 Ca 0.10 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.54 1t19 h LYS 80 Cb 0.42 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1t19 h LYS 80 CO 0.01 0.31 -0.77 1.49 -2.00 0.00 0.00 179.45 178.49 1t19 h GLU 81 N 0.00 0.68 -0.29 0.07 4.22 -1.38 -2.15 114.58 115.73 1t19 h GLU 81 Ca -0.00 -0.56 -0.15 0.00 0.08 0.00 0.00 59.36 58.73 1t19 h GLU 81 Cb 0.58 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1t19 h GLU 81 CO 0.04 1.18 -0.41 0.78 -2.18 0.00 0.00 179.01 178.41 1t19 h GLY 82 N 0.77 0.77 1.14 1.92 0.00 -1.11 -0.51 103.07 106.06 1t19 h GLY 82 Ca -0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 1t19 h GLY 82 CO 0.15 0.71 -0.11 -2.08 0.00 0.00 0.00 176.54 175.21 1t19 h VAL 83 N 0.58 1.27 -0.17 4.60 2.07 -1.38 0.60 116.25 123.81 1t19 h VAL 83 Ca 0.05 -1.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.14 1t19 h VAL 83 Cb 0.95 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1t19 h VAL 83 CO 0.09 0.45 -0.58 0.00 0.02 0.00 0.00 177.57 177.55 1t19 h ALA 84 N 0.97 0.68 0.00 1.67 0.00 -1.26 -3.18 119.26 118.13 1t19 h ALA 84 Ca 0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1t19 h ALA 84 Cb 0.67 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1t19 h ALA 84 CO 0.05 0.70 -0.84 0.77 0.00 0.00 0.00 179.25 179.92 1t19 h SER 85 N 0.41 0.00 0.00 0.00 0.02 -1.00 -3.48 113.55 109.50 1t19 h SER 85 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t19 h SER 85 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1t19 h SER 85 CO 0.11 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 1t19 n GLY 86 N 1.18 0.76 2.96 -3.77 0.00 0.20 -5.01 105.19 101.51 1t19 n GLY 86 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1t19 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t19 s ASN 87 N -2.51 1.00 -0.22 1.61 2.20 -0.69 -4.98 114.94 111.35 1t19 s ASN 87 Ca 0.00 -0.15 -0.09 0.00 -0.94 0.00 0.00 52.86 51.68 1t19 s ASN 87 Cb 0.00 -0.31 0.09 0.00 -2.00 0.00 0.00 41.25 39.03 1t19 s ASN 87 CO 0.00 0.03 0.48 -0.22 -2.94 0.00 0.00 177.10 174.45 1t19 s LEU 88 N 0.35 -0.63 -0.42 3.54 2.96 -1.26 -4.21 118.68 119.01 1t19 s LEU 88 Ca -0.05 1.11 0.06 0.00 -0.22 0.00 0.00 54.13 55.04 1t19 s LEU 88 Cb -0.09 1.60 0.18 0.00 0.50 0.00 0.00 46.19 48.38 1t19 s LEU 88 CO 0.00 -0.22 0.57 0.21 -1.32 0.00 0.00 176.35 175.59 1t19 s ASN 89 N 2.29 -0.66 0.01 3.68 2.47 -1.23 -1.61 114.94 119.89 1t19 s ASN 89 Ca -0.05 -1.30 0.00 0.00 0.42 0.00 0.00 52.86 51.93 1t19 s ASN 89 Cb -0.11 1.46 -0.01 0.00 -1.45 0.00 0.00 41.25 41.14 1t19 s ASN 89 CO -0.14 -0.17 -0.02 0.28 -3.72 0.00 0.00 177.10 173.32 1t19 s THR 90 N 1.45 0.12 -0.06 -5.21 -1.32 -0.60 -5.00 115.64 105.02 1t19 s THR 90 Ca 0.20 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1t19 s THR 90 Cb -0.06 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.75 1t19 s THR 90 CO -0.06 -0.21 -0.17 -0.32 -2.21 0.00 0.00 174.62 171.66 1t19 s MET 91 N -0.68 1.99 0.20 7.08 1.75 -1.26 -0.76 119.30 127.62 1t19 s MET 91 Ca -0.07 -0.60 -0.19 0.00 -1.25 0.00 0.00 55.69 53.59 1t19 s MET 91 Cb -0.05 -1.64 0.03 0.00 2.84 0.00 0.00 34.83 36.02 1t19 s MET 91 CO -0.00 0.16 0.56 -0.59 -0.65 0.00 0.00 175.02 174.50 1t19 s PHE 92 N 0.29 -0.19 0.16 4.11 -0.71 -0.25 -5.00 117.98 116.40 1t19 s PHE 92 Ca -0.10 -0.15 -0.06 0.00 -1.04 0.00 0.00 56.93 55.58 1t19 s PHE 92 Cb -0.14 0.46 -0.06 0.00 -1.21 0.00 0.00 43.02 42.07 1t19 s PHE 92 CO 0.04 -0.96 0.42 -1.21 -1.34 0.00 0.00 175.22 172.17 1t19 s GLU 93 N -3.86 3.67 0.10 1.99 2.02 -1.26 0.15 118.70 121.51 1t19 s GLU 93 Ca 0.08 0.01 -0.19 0.00 0.02 0.00 0.00 54.97 54.89 1t19 s GLU 93 Cb -0.02 -2.80 0.04 0.00 0.10 0.00 0.00 34.13 31.45 1t19 s GLU 93 CO -0.03 0.43 0.46 -0.47 0.02 0.00 0.00 175.26 175.67 1t19 s TYR 94 N -1.69 -0.31 -0.15 1.61 5.04 -0.50 -4.92 117.35 116.43 1t19 s TYR 94 Ca 0.42 0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1t19 s TYR 94 Cb -0.12 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 1t19 s TYR 94 CO 0.24 -0.70 -0.11 0.99 -1.34 0.00 0.00 175.55 174.63 1t19 s THR 95 N -3.34 3.17 -0.31 4.34 2.01 -1.26 -0.93 115.64 119.32 1t19 s THR 95 Ca -0.00 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 1t19 s THR 95 Cb 0.01 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1t19 s THR 95 CO -0.09 0.50 0.26 -0.36 -0.69 0.00 0.00 174.62 174.24 1t19 s PHE 96 N 0.57 3.22 -0.01 4.92 0.08 -0.48 -4.90 117.98 121.39 1t19 s PHE 96 Ca -0.07 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1t19 s PHE 96 Cb -0.15 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1t19 s PHE 96 CO 0.03 -0.29 0.83 -0.40 -0.10 0.00 0.00 175.22 175.29 1t19 n ASP 97 N 5.16 0.16 -4.59 1.36 5.68 -1.26 -0.67 116.55 122.39 1t19 n ASP 97 Ca -0.12 -1.69 -0.40 0.00 -0.50 0.00 0.00 54.79 52.07 1t19 n ASP 97 Cb 0.51 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.27 1t19 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1t19 s TYR 98 N -0.15 3.22 -2.15 2.11 5.04 -1.26 -4.12 117.35 120.03 1t19 s TYR 98 Ca 0.01 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1t19 s TYR 98 Cb 0.01 -2.80 0.00 0.00 0.35 0.00 0.00 41.96 39.52 1t19 s TYR 98 CO 0.00 -0.40 0.00 1.04 -1.34 0.00 0.00 175.55 174.85 1t19 n GLN 99 N 5.61 -1.46 -3.79 4.97 6.02 -1.26 -4.93 117.38 122.54 1t19 n GLN 99 Ca -0.05 1.21 -0.10 0.00 -0.01 0.00 0.00 57.00 58.05 1t19 n GLN 99 Cb 0.49 -5.61 -0.06 0.00 1.02 0.00 0.00 30.24 26.08 1t19 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1t19 s MET 100 N -3.89 1.08 0.16 -1.09 0.23 -1.26 -5.11 119.30 109.43 1t19 s MET 100 Ca 0.00 -0.91 -0.32 0.00 -1.03 0.00 0.00 55.69 53.43 1t19 s MET 100 Cb 0.00 0.42 -0.11 0.00 -1.53 0.00 0.00 34.83 33.61 1t19 s MET 100 CO 0.00 -0.41 1.72 0.99 -2.03 0.00 0.00 175.02 175.29 1t19 s THR 101 N -3.87 2.36 -0.27 3.16 2.01 -1.26 -4.68 115.64 113.10 1t19 s THR 101 Ca 0.08 0.14 -0.40 0.00 0.31 0.00 0.00 61.69 61.82 1t19 s THR 101 Cb 0.03 -3.09 -0.15 0.00 0.01 0.00 0.00 72.50 69.29 1t19 s THR 101 CO -0.07 0.01 1.75 -2.65 -0.69 0.00 0.00 174.62 172.97 1t19 n PRO 102 N 4.60 1.21 -3.96 4.92 -0.02 -1.26 -4.75 135.00 135.75 1t19 n PRO 102 Ca 0.16 0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 1t19 n PRO 102 Cb 0.37 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 1t19 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t19 s THR 103 N 3.57 1.34 0.03 3.45 2.01 0.15 -4.94 115.64 121.25 1t19 s THR 103 Ca 0.98 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1t19 s THR 103 Cb -1.05 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1t19 s THR 103 CO 0.65 0.32 1.02 -0.75 -0.69 0.00 0.00 174.62 175.17 1t19 s LYS 104 N 1.56 4.55 0.20 4.92 2.20 -1.26 -1.38 119.74 130.53 1t19 s LYS 104 Ca 0.03 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 1t19 s LYS 104 Cb -0.14 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1t19 s LYS 104 CO -0.09 -0.05 0.08 0.14 -0.36 0.00 0.00 175.35 175.07 1t19 s VAL 105 N 0.87 0.29 -0.19 4.02 -7.23 -0.11 -3.33 120.40 114.73 1t19 s VAL 105 Ca 0.53 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 1t19 s VAL 105 Cb -0.23 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1t19 s VAL 105 CO 0.29 -0.18 0.02 -0.75 -0.31 0.00 0.00 175.10 174.16 1t19 s LYS 106 N -4.06 3.74 -0.10 4.82 2.20 -0.29 -1.41 119.74 124.64 1t19 s LYS 106 Ca 0.33 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1t19 s LYS 106 Cb 0.07 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1t19 s LYS 106 CO 0.09 0.13 -0.11 0.08 -0.36 0.00 0.00 175.35 175.18 1t19 s VAL 107 N 0.71 3.30 -0.23 4.02 1.01 0.12 -2.10 120.40 127.23 1t19 s VAL 107 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1t19 s VAL 107 Cb -0.14 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.92 1t19 s VAL 107 CO 0.02 0.55 -0.13 -2.28 0.00 0.00 0.00 175.10 173.26 1t19 s HIS 108 N -0.14 3.01 -0.19 5.22 2.46 0.75 -1.09 115.29 125.32 1t19 s HIS 108 Ca 0.00 -2.05 -0.06 0.00 0.47 0.00 0.00 55.06 53.42 1t19 s HIS 108 Cb -0.13 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.41 1t19 s HIS 108 CO 0.03 -0.84 0.03 -1.64 -2.47 0.00 0.00 174.74 169.85 1t19 s MET 109 N 1.19 3.78 -0.09 2.88 -1.94 0.06 -0.43 119.30 124.76 1t19 s MET 109 Ca -0.05 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 1t19 s MET 109 Cb -0.18 -3.13 0.03 0.00 2.01 0.00 0.00 34.83 33.55 1t19 s MET 109 CO -0.07 0.14 0.29 0.21 -0.01 0.00 0.00 175.02 175.58 1t19 s LYS 110 N 0.69 0.41 0.30 2.03 2.20 -0.51 -1.56 119.74 123.29 1t19 s LYS 110 Ca 0.01 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 1t19 s LYS 110 Cb -0.14 0.19 -0.12 0.00 -1.51 0.00 0.00 37.83 36.26 1t19 s LYS 110 CO 0.02 -0.07 1.49 1.17 -0.36 0.00 0.00 175.35 177.60 1t19 n LYS 111 N 2.57 2.46 -1.53 4.03 4.81 -0.63 -0.57 118.16 129.29 1t19 n LYS 111 Ca -0.15 0.87 -0.25 0.00 -0.87 0.00 0.00 58.31 57.91 1t19 n LYS 111 Cb 0.57 -2.59 0.18 0.00 0.02 0.00 0.00 35.03 33.21 1t19 n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t19 n ALA 112 N 1.60 -1.46 -0.06 3.14 0.00 -0.13 -4.79 120.51 118.82 1t19 n ALA 112 Ca 0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 53.44 52.02 1t19 n ALA 112 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 1t19 n ALA 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1t19 h LEU 113 N 0.00 0.00 0.00 0.00 7.12 -1.85 -3.47 115.31 117.11 1t19 h LEU 113 Ca -0.36 -0.25 -0.01 0.00 0.13 0.00 0.00 57.88 57.39 1t19 h LEU 113 Cb 1.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1t19 h LEU 113 CO 0.25 0.63 -0.00 -0.24 -0.13 0.00 0.00 178.44 178.95 1t19 n SER 114 N -4.73 -1.53 0.00 1.25 2.88 -1.26 -4.97 113.62 105.25 1t19 n SER 114 Ca -0.03 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1t19 n SER 114 Cb 0.13 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1t19 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t19 n GLY 115 N -0.10 0.00 2.84 0.46 0.00 -1.26 -4.39 105.19 102.74 1t19 n GLY 115 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1t19 n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t19 n ASP 116 N 0.00 6.71 -4.25 1.61 2.03 -1.26 -4.92 116.55 116.47 1t19 n ASP 116 Ca 0.00 -3.53 -0.22 0.00 0.52 0.00 0.00 54.79 51.56 1t19 n ASP 116 Cb 0.00 -1.20 -0.12 0.00 -0.72 0.00 0.00 41.12 39.08 1t19 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1t19 s SER 117 N -1.68 2.25 -0.01 1.67 1.04 -1.26 -3.11 113.70 112.60 1t19 s SER 117 Ca 0.35 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1t19 s SER 117 Cb 0.11 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1t19 s SER 117 CO 0.01 0.02 -0.05 -0.31 0.98 0.00 0.00 173.24 173.89 1t19 s TYR 118 N -1.17 0.49 -0.07 5.02 1.51 -0.11 -0.95 117.35 122.06 1t19 s TYR 118 Ca 0.04 -0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 55.88 1t19 s TYR 118 Cb -0.10 -0.36 -0.05 0.00 -0.11 0.00 0.00 41.96 41.34 1t19 s TYR 118 CO 0.03 -0.04 0.30 -1.58 -1.11 0.00 0.00 175.55 173.15 1t19 s TRP 119 N 0.11 3.63 -0.25 2.71 0.52 0.26 -0.72 118.94 125.20 1t19 s TRP 119 Ca -0.01 0.76 -0.00 0.00 0.02 0.00 0.00 56.10 56.87 1t19 s TRP 119 Cb -0.05 -2.19 0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1t19 s TRP 119 CO -0.00 0.58 -0.08 0.08 0.02 0.00 0.00 176.95 177.55 1t19 s VAL 120 N -0.72 2.62 -0.10 4.03 1.01 0.14 -1.43 120.40 125.95 1t19 s VAL 120 Ca 0.19 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1t19 s VAL 120 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1t19 s VAL 120 CO 0.08 0.12 -0.04 -0.36 0.00 0.00 0.00 175.10 174.90 1t19 s PHE 121 N 1.25 3.03 -0.03 5.22 0.08 0.43 -0.39 117.98 127.57 1t19 s PHE 121 Ca -0.03 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1t19 s PHE 121 Cb -0.18 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 1t19 s PHE 121 CO -0.05 0.25 -0.03 0.08 -0.10 0.00 0.00 175.22 175.36 1t19 s VAL 122 N -0.43 0.40 0.08 -0.44 1.01 -0.45 -0.17 120.40 120.40 1t19 s VAL 122 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1t19 s VAL 122 Cb -0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1t19 s VAL 122 CO 0.02 0.18 -0.03 -1.59 0.00 0.00 0.00 175.10 173.68 1t19 s LYS 123 N 0.74 0.73 0.41 2.72 -2.85 -0.89 -0.43 119.74 120.16 1t19 s LYS 123 Ca -0.09 -1.29 -0.22 0.00 -1.00 0.00 0.00 55.97 53.37 1t19 s LYS 123 Cb -0.12 0.08 -0.10 0.00 -2.06 0.00 0.00 37.83 35.62 1t19 s LYS 123 CO -0.00 -0.10 0.98 1.03 0.10 0.00 0.00 175.35 177.35 1t19 s ARG 124 N -3.91 4.23 0.00 1.78 0.52 -1.26 -1.14 118.95 119.17 1t19 s ARG 124 Ca 0.11 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 1t19 s ARG 124 Cb 0.07 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1t19 s ARG 124 CO -0.07 -0.05 0.22 1.33 0.02 0.00 0.00 175.30 176.76