#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f73 s GLU -6 N 0.00 3.51 -0.19 1.09 0.41 -1.26 -5.09 118.70 117.17 2f73 s GLU -6 Ca 0.00 -0.29 -0.04 0.00 -0.41 0.00 0.00 54.97 54.23 2f73 s GLU -6 Cb 0.00 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.36 2f73 s GLU -6 CO 0.00 0.56 -0.04 -0.80 -0.49 0.00 0.00 175.26 174.49 2f73 s ASN -5 N -2.43 4.48 -0.25 -0.19 -0.87 -1.26 -5.09 114.94 109.34 2f73 s ASN -5 Ca 0.37 -0.28 -0.04 0.00 -1.57 0.00 0.00 52.86 51.33 2f73 s ASN -5 Cb -0.13 -1.75 0.01 0.00 -0.02 0.00 0.00 41.25 39.36 2f73 s ASN -5 CO 0.26 0.07 -0.01 -0.76 -2.57 0.00 0.00 177.10 174.08 2f73 s LEU -4 N 0.96 3.27 -0.26 0.60 1.02 -1.26 -5.09 118.68 117.91 2f73 s LEU -4 Ca -0.00 -0.64 -0.10 0.00 0.02 0.00 0.00 54.13 53.41 2f73 s LEU -4 Cb -0.15 -1.76 -0.05 0.00 0.02 0.00 0.00 46.19 44.26 2f73 s LEU -4 CO 0.01 -0.10 0.15 -0.31 0.02 0.00 0.00 176.35 176.12 2f73 s TYR -3 N 1.43 3.21 0.43 0.29 4.12 -1.26 -5.07 117.35 120.51 2f73 s TYR -3 Ca 0.03 0.03 0.04 0.00 0.02 0.00 0.00 57.07 57.19 2f73 s TYR -3 Cb -0.16 -2.31 -0.04 0.00 -1.52 0.00 0.00 41.96 37.93 2f73 s TYR -3 CO -0.02 -0.14 0.04 -0.06 0.02 0.00 0.00 175.55 175.39 2f73 s PHE -2 N 1.52 2.02 -0.23 2.71 0.40 -1.26 -5.16 117.98 117.99 2f73 s PHE -2 Ca 0.07 -0.96 -0.26 0.00 -0.60 0.00 0.00 56.93 55.17 2f73 s PHE -2 Cb -0.15 -1.49 0.08 0.00 0.51 0.00 0.00 43.02 41.96 2f73 s PHE -2 CO 0.08 0.13 0.76 -1.14 0.70 0.00 0.00 175.22 175.74 2f73 s GLN -1 N -3.80 0.83 0.30 0.44 0.74 -1.26 -5.16 119.66 111.75 2f73 s GLN -1 Ca 0.22 0.79 0.04 0.00 0.05 0.00 0.00 55.36 56.45 2f73 s GLN -1 Cb 0.05 0.40 -0.06 0.00 1.10 0.00 0.00 33.01 34.50 2f73 s GLN -1 CO 0.11 -0.14 0.04 -1.54 -0.55 0.00 0.00 175.29 173.22 2f73 s SER 0 N 0.02 2.22 0.00 6.67 1.04 -1.26 -4.45 113.70 117.94 2f73 s SER 0 Ca -0.02 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2f73 s SER 0 Cb -0.04 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2f73 s SER 0 CO 0.02 -0.58 0.28 0.80 0.98 0.00 0.00 173.24 174.74 2f73 n MET 1 N -0.62 0.00 0.00 4.02 1.56 0.12 -5.00 117.12 117.20 2f73 n MET 1 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 2f73 n MET 1 Cb 0.66 -0.78 0.00 0.00 2.15 0.00 0.00 33.22 35.25 2f73 n MET 1 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2f73 n SER 2 N -0.29 0.00 -0.27 6.12 2.88 -1.26 -5.04 113.62 115.76 2f73 n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2f73 n SER 2 Cb 0.00 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 63.96 2f73 n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2f73 n PHE 3 N 0.00 0.00 -1.73 0.66 3.72 -1.26 -4.95 117.46 113.90 2f73 n PHE 3 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2f73 n PHE 3 Cb 0.00 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.50 2f73 n PHE 3 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2f73 n SER 4 N -0.50 2.21 0.00 4.37 7.64 -1.26 -4.57 113.62 121.51 2f73 n SER 4 Ca 0.15 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2f73 n SER 4 Cb 0.32 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 2f73 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f73 n GLY 5 N 0.89 2.80 3.86 0.23 0.00 0.05 -4.93 105.19 108.09 2f73 n GLY 5 Ca 0.14 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 2f73 n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f73 s LYS 6 N -2.25 3.64 -0.07 1.61 3.01 -1.26 -1.62 119.74 122.80 2f73 s LYS 6 Ca 0.00 0.03 0.04 0.00 -1.01 0.00 0.00 55.97 55.04 2f73 s LYS 6 Cb 0.00 -3.22 -0.00 0.00 -1.01 0.00 0.00 37.83 33.60 2f73 s LYS 6 CO 0.00 0.72 -0.20 0.71 0.51 0.00 0.00 175.35 177.08 2f73 s TYR 7 N -0.94 2.12 -0.36 3.18 1.51 0.14 -1.90 117.35 121.10 2f73 s TYR 7 Ca 0.17 -0.74 -0.23 0.00 -1.01 0.00 0.00 57.07 55.26 2f73 s TYR 7 Cb -0.13 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2f73 s TYR 7 CO 0.06 -0.28 0.79 -1.14 -1.11 0.00 0.00 175.55 173.88 2f73 s GLN 8 N 0.20 3.76 0.16 -0.62 2.00 -0.09 -1.58 119.66 123.48 2f73 s GLN 8 Ca -0.11 0.33 -0.31 0.00 -2.00 0.00 0.00 55.36 53.27 2f73 s GLN 8 Cb -0.15 -3.81 -0.10 0.00 0.80 0.00 0.00 33.01 29.75 2f73 s GLN 8 CO 0.05 -0.85 1.64 -1.17 -0.50 0.00 0.00 175.29 174.47 2f73 s LEU 9 N 3.11 4.37 -0.00 3.68 2.96 -0.56 -2.07 118.68 130.17 2f73 s LEU 9 Ca 0.32 2.67 -0.03 0.00 -0.22 0.00 0.00 54.13 56.87 2f73 s LEU 9 Cb -0.13 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 2f73 s LEU 9 CO 0.17 -0.89 -0.07 0.00 -1.32 0.00 0.00 176.35 174.24 2f73 n GLN 10 N 4.41 0.11 -5.04 1.98 6.02 0.10 -4.66 117.38 120.29 2f73 n GLN 10 Ca 0.15 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.86 2f73 n GLN 10 Cb 0.38 -0.69 -0.15 0.00 1.02 0.00 0.00 30.24 30.79 2f73 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2f73 s SER 11 N -5.74 3.51 -0.10 1.08 0.15 -0.70 -4.96 113.70 106.93 2f73 s SER 11 Ca -0.07 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.17 2f73 s SER 11 Cb 0.02 -1.25 0.02 0.00 -1.71 0.00 0.00 66.02 63.09 2f73 s SER 11 CO 0.09 0.21 -0.12 -1.58 1.20 0.00 0.00 173.24 173.04 2f73 s GLN 12 N 0.07 1.91 -0.20 5.44 0.74 -1.26 0.66 119.66 127.03 2f73 s GLN 12 Ca -0.08 -0.44 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 2f73 s GLN 12 Cb -0.15 -1.71 -0.01 0.00 1.10 0.00 0.00 33.01 32.24 2f73 s GLN 12 CO 0.05 -0.12 -0.08 -2.00 -0.55 0.00 0.00 175.29 172.60 2f73 s GLU 13 N 1.16 3.32 -1.08 1.67 -6.30 0.30 -4.76 118.70 113.02 2f73 s GLU 13 Ca -0.04 -0.66 -0.02 0.00 -2.50 0.00 0.00 54.97 51.75 2f73 s GLU 13 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 34.13 31.11 2f73 s GLU 13 CO -0.03 -0.13 0.91 0.09 0.02 0.00 0.00 175.26 176.12 2f73 n ASN 14 N 4.55 -2.80 0.05 -1.70 4.13 -1.26 -1.37 115.26 116.86 2f73 n ASN 14 Ca -0.19 -0.53 -0.06 0.00 1.68 0.00 0.00 54.58 55.49 2f73 n ASN 14 Cb 0.51 -4.53 0.13 0.00 -1.54 0.00 0.00 39.78 34.34 2f73 n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2f73 h PHE 15 N -1.81 0.47 0.29 3.10 3.57 -1.93 -3.30 116.94 117.32 2f73 h PHE 15 Ca -0.51 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 60.82 2f73 h PHE 15 Cb 1.30 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2f73 h PHE 15 CO 0.40 0.81 -0.14 0.93 -2.23 0.00 0.00 178.31 178.08 2f73 h GLU 16 N 0.30 -0.37 -0.76 1.11 5.08 -1.95 0.22 114.58 118.21 2f73 h GLU 16 Ca 0.01 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2f73 h GLU 16 Cb 1.00 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 2f73 h GLU 16 CO 0.09 -0.25 0.39 0.00 -1.00 0.00 0.00 179.01 178.24 2f73 h ALA 17 N -1.51 1.07 -0.10 3.43 0.00 -1.98 0.66 119.26 120.83 2f73 h ALA 17 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2f73 h ALA 17 Cb 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2f73 h ALA 17 CO 0.06 -0.02 -0.10 0.35 0.00 0.00 0.00 179.25 179.54 2f73 h PHE 18 N 0.64 0.30 -0.47 0.00 3.57 -1.70 0.36 116.94 119.64 2f73 h PHE 18 Ca 0.38 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2f73 h PHE 18 Cb 0.42 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2f73 h PHE 18 CO -0.10 0.66 0.08 0.52 -2.23 0.00 0.00 178.31 177.25 2f73 h MET 19 N -0.15 0.77 -0.53 1.11 2.86 -0.48 -1.56 114.93 116.94 2f73 h MET 19 Ca 0.02 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2f73 h MET 19 Cb 0.61 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2f73 h MET 19 CO 0.02 0.78 0.16 -0.22 1.06 0.00 0.00 176.91 178.72 2f73 h LYS 20 N 0.64 0.80 0.35 1.72 3.64 0.30 -2.27 116.57 121.75 2f73 h LYS 20 Ca 0.14 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2f73 h LYS 20 Cb 0.38 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2f73 h LYS 20 CO 0.01 0.69 -0.17 0.00 -2.27 0.00 0.00 179.45 177.72 2f73 h ALA 21 N 1.40 -0.47 0.00 5.00 0.00 0.46 -2.01 119.26 123.64 2f73 h ALA 21 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2f73 h ALA 21 Cb 0.23 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2f73 h ALA 21 CO -0.01 -0.75 0.00 0.44 0.00 0.00 0.00 179.25 178.94 2f73 n ILE 22 N -5.28 0.57 -1.44 0.00 -5.35 -0.66 -4.79 119.36 102.42 2f73 n ILE 22 Ca -0.10 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2f73 n ILE 22 Cb 0.21 -1.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.03 2f73 n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f73 n GLY 23 N -0.90 0.73 3.75 3.28 0.00 -0.75 -5.04 105.19 106.25 2f73 n GLY 23 Ca 0.02 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2f73 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f73 s LEU 24 N -0.94 4.24 0.41 0.99 0.20 -0.87 -5.03 118.68 117.69 2f73 s LEU 24 Ca 0.00 0.29 -0.21 0.00 0.69 0.00 0.00 54.13 54.90 2f73 s LEU 24 Cb 0.00 -2.12 -0.15 0.00 -0.43 0.00 0.00 46.19 43.49 2f73 s LEU 24 CO 0.00 0.20 0.15 -2.65 -0.29 0.00 0.00 176.35 173.76 2f73 n PRO 25 N 3.33 0.08 0.00 0.98 -0.02 -1.26 -4.65 135.00 133.46 2f73 n PRO 25 Ca -0.16 0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.45 2f73 n PRO 25 Cb 0.52 -1.08 0.46 0.00 -0.02 0.00 0.00 33.50 33.39 2f73 n PRO 25 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2f73 n GLU 26 N 1.22 0.09 0.00 -0.52 2.13 -1.26 -2.88 120.64 119.41 2f73 n GLU 26 Ca 0.11 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2f73 n GLU 26 Cb 0.40 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2f73 n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2f73 n GLU 27 N -1.44 0.00 -0.25 5.31 4.07 -1.26 -1.80 120.64 125.28 2f73 n GLU 27 Ca 0.06 0.00 0.24 0.00 -0.06 0.00 0.00 57.16 57.40 2f73 n GLU 27 Cb 0.22 -0.79 0.44 0.00 -0.06 0.00 0.00 31.44 31.25 2f73 n GLU 27 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2f73 n LEU 28 N -0.36 0.24 -0.03 4.31 4.77 -1.23 0.16 117.00 124.86 2f73 n LEU 28 Ca 0.00 1.28 -0.10 0.00 -0.03 0.00 0.00 56.01 57.17 2f73 n LEU 28 Cb 0.00 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 2f73 n LEU 28 CO 0.00 -1.43 0.90 0.40 -1.33 0.00 0.00 177.39 175.94 2f73 h ILE 29 N 0.00 0.96 0.00 -0.08 2.04 -1.54 -0.28 117.51 118.61 2f73 h ILE 29 Ca 0.64 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 66.41 2f73 h ILE 29 Cb 1.68 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2f73 h ILE 29 CO -0.60 0.03 -0.21 1.56 0.00 0.00 0.00 178.15 178.92 2f73 h GLN 30 N 0.14 0.00 0.00 2.37 1.08 0.23 0.38 115.11 119.32 2f73 h GLN 30 Ca 0.07 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2f73 h GLN 30 Cb 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2f73 h GLN 30 CO -0.08 0.21 -0.25 -0.22 -0.95 0.00 0.00 178.83 177.55 2f73 h LYS 31 N 0.00 0.00 -0.00 1.46 3.64 -0.29 -3.34 116.57 118.04 2f73 h LYS 31 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2f73 h LYS 31 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2f73 h LYS 31 CO 0.03 0.23 -0.02 0.41 -2.27 0.00 0.00 179.45 177.83 2f73 n GLY 32 N 1.16 -0.87 0.32 5.01 0.00 -0.18 -4.67 105.19 105.97 2f73 n GLY 32 Ca 0.03 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.09 2f73 n GLY 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2f73 h LYS 33 N 0.57 0.42 -0.28 1.61 2.10 -0.37 -3.11 116.57 117.50 2f73 h LYS 33 Ca 0.00 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 58.39 2f73 h LYS 33 Cb 0.13 -0.09 -0.28 0.00 -0.90 0.00 0.00 32.23 31.09 2f73 h LYS 33 CO 0.00 0.28 -0.83 -0.40 -2.00 0.00 0.00 179.45 176.49 2f73 n ASP 34 N -5.02 2.36 -4.83 7.07 3.85 -1.26 -5.00 116.55 113.73 2f73 n ASP 34 Ca 0.23 -3.05 -0.33 0.00 -0.71 0.00 0.00 54.79 50.93 2f73 n ASP 34 Cb 0.67 -0.42 -0.07 0.00 -1.35 0.00 0.00 41.12 39.96 2f73 n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 2f73 s ILE 35 N -2.96 4.50 -0.33 2.12 1.01 -1.17 -5.04 121.20 119.33 2f73 s ILE 35 Ca 0.38 1.28 0.01 0.00 0.00 0.00 0.00 60.65 62.32 2f73 s ILE 35 Cb 0.38 -3.61 0.14 0.00 0.01 0.00 0.00 42.46 39.38 2f73 s ILE 35 CO -0.06 -0.26 0.29 -0.54 0.00 0.00 0.00 174.94 174.37 2f73 s LYS 36 N -3.09 0.47 0.00 2.79 1.02 -1.26 -4.87 119.74 114.80 2f73 s LYS 36 Ca 0.59 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2f73 s LYS 36 Cb -0.10 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 2f73 s LYS 36 CO 0.15 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 2f73 n GLY 37 N 4.65 3.15 3.36 -3.33 0.00 -1.26 -4.68 105.19 107.08 2f73 n GLY 37 Ca 0.05 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2f73 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f73 s VAL 38 N 2.87 2.55 0.17 1.61 1.01 -1.26 -1.50 120.40 125.86 2f73 s VAL 38 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2f73 s VAL 38 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2f73 s VAL 38 CO 0.00 0.57 -0.07 -0.44 0.00 0.00 0.00 175.10 175.16 2f73 s SER 39 N -0.33 4.43 0.00 3.32 0.01 -0.62 -4.21 113.70 116.30 2f73 s SER 39 Ca 0.02 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2f73 s SER 39 Cb -0.13 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.27 2f73 s SER 39 CO 0.02 0.11 -0.08 -0.70 0.41 0.00 0.00 173.24 173.00 2f73 s GLU 40 N -2.78 0.65 -0.08 12.44 2.12 -0.05 0.29 118.70 131.28 2f73 s GLU 40 Ca 0.25 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.23 2f73 s GLU 40 Cb -0.09 -0.61 0.02 0.00 0.26 0.00 0.00 34.13 33.71 2f73 s GLU 40 CO 0.16 0.16 -0.12 0.42 -0.54 0.00 0.00 175.26 175.34 2f73 s ILE 41 N -0.37 1.19 -0.27 -3.70 1.01 -0.64 0.02 121.20 118.43 2f73 s ILE 41 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2f73 s ILE 41 Cb -0.04 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.39 2f73 s ILE 41 CO -0.00 0.37 -0.07 -0.69 0.00 0.00 0.00 174.94 174.55 2f73 s VAL 42 N 0.88 2.11 -0.12 2.92 1.01 0.16 -0.77 120.40 126.60 2f73 s VAL 42 Ca -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 61.98 60.12 2f73 s VAL 42 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2f73 s VAL 42 CO 0.01 -0.14 0.01 -1.58 0.00 0.00 0.00 175.10 173.39 2f73 s GLN 43 N 1.10 3.32 -0.37 2.72 0.74 -1.26 -1.46 119.66 124.45 2f73 s GLN 43 Ca -0.05 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 54.95 2f73 s GLN 43 Cb -0.20 -2.90 0.13 0.00 1.10 0.00 0.00 33.01 31.14 2f73 s GLN 43 CO -0.06 0.53 0.19 -0.80 -0.55 0.00 0.00 175.29 174.60 2f73 s ASN 44 N -0.39 3.46 1.65 6.67 -0.87 -0.47 -4.83 114.94 120.16 2f73 s ASN 44 Ca 0.07 -2.13 0.00 0.00 -1.57 0.00 0.00 52.86 49.23 2f73 s ASN 44 Cb -0.12 -0.69 0.00 0.00 -0.02 0.00 0.00 41.25 40.41 2f73 s ASN 44 CO 0.02 -0.33 0.00 0.61 -2.57 0.00 0.00 177.10 174.83 2f73 n GLY 45 N 4.16 3.50 1.01 0.66 0.00 -1.26 -1.42 105.19 111.83 2f73 n GLY 45 Ca 0.06 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2f73 n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2f73 n LYS 46 N 12.36 3.14 -3.53 1.61 -0.00 -1.26 -4.89 118.16 125.59 2f73 n LYS 46 Ca 0.00 -2.55 -0.40 0.00 -0.00 0.00 0.00 58.31 55.37 2f73 n LYS 46 Cb 0.00 -1.63 -0.10 0.00 -0.00 0.00 0.00 35.03 33.30 2f73 n LYS 46 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2f73 s HIS 47 N -1.79 3.23 -0.12 5.58 3.76 -0.51 -1.79 115.29 123.64 2f73 s HIS 47 Ca 0.38 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2f73 s HIS 47 Cb 0.25 -2.48 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2f73 s HIS 47 CO 0.17 -0.32 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.53 2f73 s PHE 48 N 1.77 2.77 -0.14 1.40 0.40 0.14 -1.37 117.98 122.96 2f73 s PHE 48 Ca 0.07 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 2f73 s PHE 48 Cb -0.17 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.57 2f73 s PHE 48 CO 0.11 -0.21 -0.15 0.15 0.70 0.00 0.00 175.22 175.82 2f73 s LYS 49 N 0.27 2.34 -0.09 0.44 1.02 -0.53 -0.80 119.74 122.39 2f73 s LYS 49 Ca -0.10 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 2f73 s LYS 49 Cb -0.16 -2.08 0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2f73 s LYS 49 CO 0.06 -0.18 0.20 -0.59 -0.92 0.00 0.00 175.35 173.92 2f73 s PHE 50 N 1.31 -0.25 -0.20 3.18 -0.71 -0.90 0.38 117.98 120.79 2f73 s PHE 50 Ca 0.01 0.65 -0.06 0.00 -1.04 0.00 0.00 56.93 56.49 2f73 s PHE 50 Cb -0.14 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2f73 s PHE 50 CO -0.08 -0.21 0.03 0.99 -1.34 0.00 0.00 175.22 174.61 2f73 s THR 51 N 1.29 4.26 -0.05 -4.49 2.01 0.10 -2.19 115.64 116.58 2f73 s THR 51 Ca -0.09 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.76 2f73 s THR 51 Cb -0.11 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 2f73 s THR 51 CO -0.07 0.43 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.44 2f73 s ILE 52 N 0.86 2.43 -0.47 1.82 -1.09 0.19 -0.87 121.20 124.08 2f73 s ILE 52 Ca 0.02 -0.95 -0.16 0.00 -2.23 0.00 0.00 60.65 57.33 2f73 s ILE 52 Cb -0.14 -1.90 0.06 0.00 -1.58 0.00 0.00 42.46 38.90 2f73 s ILE 52 CO 0.02 0.58 0.43 0.42 -1.23 0.00 0.00 174.94 175.15 2f73 s THR 53 N -0.45 5.18 -0.42 2.92 -4.23 -1.26 0.16 115.64 117.53 2f73 s THR 53 Ca 0.05 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 2f73 s THR 53 Cb -0.12 -4.13 0.10 0.00 1.34 0.00 0.00 72.50 69.69 2f73 s THR 53 CO 0.01 -0.59 0.24 0.00 -0.54 0.00 0.00 174.62 173.74 2f73 s ALA 54 N 1.82 3.22 0.00 3.99 0.00 0.20 -4.85 121.76 126.14 2f73 s ALA 54 Ca 0.06 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.63 2f73 s ALA 54 Cb -0.23 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2f73 s ALA 54 CO 0.08 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.50 2f73 n GLY 55 N 4.75 2.14 1.23 0.00 0.00 -1.26 -1.46 105.19 110.59 2f73 n GLY 55 Ca -0.06 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2f73 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f73 n SER 56 N 10.63 4.46 -4.01 1.61 3.41 -1.26 -4.80 113.62 123.65 2f73 n SER 56 Ca 0.00 -2.90 -0.21 0.00 -0.26 0.00 0.00 58.87 55.50 2f73 n SER 56 Cb 0.00 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.22 2f73 n SER 56 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2f73 s LYS 57 N -2.65 1.04 -0.48 4.33 -0.14 -0.53 -5.07 119.74 116.23 2f73 s LYS 57 Ca 0.46 -0.33 -0.18 0.00 -1.36 0.00 0.00 55.97 54.55 2f73 s LYS 57 Cb 0.35 -0.96 0.05 0.00 -1.68 0.00 0.00 37.83 35.60 2f73 s LYS 57 CO 0.12 0.12 0.53 0.08 -0.76 0.00 0.00 175.35 175.45 2f73 s VAL 58 N 0.18 5.00 0.04 3.17 1.01 -1.26 0.62 120.40 129.16 2f73 s VAL 58 Ca -0.03 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2f73 s VAL 58 Cb -0.09 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2f73 s VAL 58 CO 0.01 -0.67 0.17 -0.63 0.00 0.00 0.00 175.10 173.97 2f73 s ILE 59 N 2.30 5.18 -0.16 2.22 1.01 0.12 -4.94 121.20 126.94 2f73 s ILE 59 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 2f73 s ILE 59 Cb -0.20 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.84 2f73 s ILE 59 CO 0.11 0.20 -0.02 -1.58 0.00 0.00 0.00 174.94 173.66 2f73 s GLN 60 N -2.28 1.07 0.42 2.79 0.74 -1.26 -0.63 119.66 120.51 2f73 s GLN 60 Ca 0.31 -0.42 0.05 0.00 0.05 0.00 0.00 55.36 55.35 2f73 s GLN 60 Cb -0.13 -1.92 -0.06 0.00 1.10 0.00 0.00 33.01 32.00 2f73 s GLN 60 CO 0.23 -0.49 0.02 -0.80 -0.55 0.00 0.00 175.29 173.71 2f73 s ASN 61 N 1.74 3.64 -0.09 6.67 0.01 -0.93 -4.83 114.94 121.15 2f73 s ASN 61 Ca 0.00 -1.45 -0.10 0.00 -0.71 0.00 0.00 52.86 50.60 2f73 s ASN 61 Cb -0.16 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.44 2f73 s ASN 61 CO -0.07 -0.59 0.27 -1.61 -1.51 0.00 0.00 177.10 173.59 2f73 s GLU 62 N -3.78 0.38 0.24 -0.60 2.02 -1.26 -2.12 118.70 113.58 2f73 s GLU 62 Ca 0.28 0.25 -0.17 0.00 0.02 0.00 0.00 54.97 55.35 2f73 s GLU 62 Cb 0.07 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.50 2f73 s GLU 62 CO 0.14 -0.06 0.58 -0.59 0.02 0.00 0.00 175.26 175.34 2f73 s PHE 63 N -0.16 -0.02 -0.04 1.61 -0.12 0.02 -4.71 117.98 114.57 2f73 s PHE 63 Ca -0.03 -0.37 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 2f73 s PHE 63 Cb -0.03 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.83 2f73 s PHE 63 CO 0.01 -1.05 -0.05 0.99 -0.05 0.00 0.00 175.22 175.07 2f73 s THR 64 N -3.93 0.59 0.33 -4.49 2.01 -1.26 0.26 115.64 109.15 2f73 s THR 64 Ca 0.13 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 2f73 s THR 64 Cb -0.03 -0.60 -0.13 0.00 0.01 0.00 0.00 72.50 71.76 2f73 s THR 64 CO 0.04 0.23 1.28 0.52 -0.69 0.00 0.00 174.62 175.99 2f73 n VAL 65 N 3.92 1.90 -0.54 3.82 0.31 -0.74 -2.06 118.33 124.93 2f73 n VAL 65 Ca -0.25 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2f73 n VAL 65 Cb 0.51 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2f73 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2f73 n GLY 66 N 0.94 0.46 3.77 2.92 0.00 0.27 -4.95 105.19 108.59 2f73 n GLY 66 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2f73 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f73 s GLU 67 N -0.54 3.03 -0.79 1.61 2.12 -0.88 -4.95 118.70 118.30 2f73 s GLU 67 Ca 0.00 -0.50 -0.23 0.00 0.36 0.00 0.00 54.97 54.61 2f73 s GLU 67 Cb 0.00 -2.83 0.07 0.00 0.26 0.00 0.00 34.13 31.63 2f73 s GLU 67 CO 0.00 0.65 1.15 -2.00 -0.54 0.00 0.00 175.26 174.51 2f73 s GLU 68 N -1.67 3.31 0.19 4.30 2.12 -1.26 -4.24 118.70 121.44 2f73 s GLU 68 Ca 0.22 -0.94 0.06 0.00 0.36 0.00 0.00 54.97 54.67 2f73 s GLU 68 Cb -0.12 -4.54 -0.04 0.00 0.26 0.00 0.00 34.13 29.69 2f73 s GLU 68 CO 0.13 -1.94 0.11 0.00 -0.54 0.00 0.00 175.26 173.01 2f73 s GLU 70 N -3.24 3.89 0.23 0.00 -1.05 -1.26 -2.50 118.70 114.76 2f73 s GLU 70 Ca 0.31 -0.28 0.10 0.00 -0.15 0.00 0.00 54.97 54.95 2f73 s GLU 70 Cb -0.09 -3.24 -0.04 0.00 -0.44 0.00 0.00 34.13 30.32 2f73 s GLU 70 CO 0.22 0.39 -0.12 -0.51 0.95 0.00 0.00 175.26 176.19 2f73 s LEU 71 N 0.07 2.86 -0.14 1.83 1.43 0.86 -4.77 118.68 120.81 2f73 s LEU 71 Ca 0.07 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 2f73 s LEU 71 Cb -0.12 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2f73 s LEU 71 CO 0.00 0.06 0.20 -0.70 0.23 0.00 0.00 176.35 176.14 2f73 s GLU 72 N -3.22 3.93 0.76 1.70 2.12 -1.26 -0.20 118.70 122.53 2f73 s GLU 72 Ca 0.27 -0.06 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 2f73 s GLU 72 Cb -0.07 -3.33 0.09 0.00 0.26 0.00 0.00 34.13 31.09 2f73 s GLU 72 CO 0.16 0.48 1.07 0.95 -0.54 0.00 0.00 175.26 177.38 2f73 s THR 73 N -0.21 2.19 0.48 -1.70 -4.23 -0.36 -4.94 115.64 106.87 2f73 s THR 73 Ca 0.14 -0.25 0.30 0.00 -1.18 0.00 0.00 61.69 60.70 2f73 s THR 73 Cb -0.12 -2.94 0.50 0.00 1.34 0.00 0.00 72.50 71.28 2f73 s THR 73 CO 0.03 0.00 1.75 0.24 -0.54 0.00 0.00 174.62 176.10 2f73 h MET 74 N -0.79 0.14 0.00 3.99 2.86 -1.98 -3.41 114.93 115.74 2f73 h MET 74 Ca -0.43 -0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 56.85 2f73 h MET 74 Cb 1.30 -0.03 0.03 0.00 0.06 0.00 0.00 31.60 32.95 2f73 h MET 74 CO 0.54 0.10 -0.03 0.25 1.06 0.00 0.00 176.91 178.83 2f73 n THR 75 N -4.40 0.00 -2.34 2.22 -2.24 -1.26 -5.01 114.28 101.25 2f73 n THR 75 Ca 0.29 -1.38 -0.43 0.00 -2.27 0.00 0.00 64.05 60.26 2f73 n THR 75 Cb 1.20 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 2f73 n THR 75 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2f73 s GLY 76 N -3.97 1.26 0.00 3.38 0.00 -1.26 -4.85 107.32 101.87 2f73 s GLY 76 Ca 0.45 0.09 0.00 0.00 0.00 0.00 0.00 44.72 45.26 2f73 s GLY 76 CO 0.29 2.73 0.00 -2.21 0.00 0.00 0.00 173.10 173.90 2f73 n GLU 77 N 7.62 -0.73 -3.76 2.90 2.13 -1.26 -4.98 120.64 122.57 2f73 n GLU 77 Ca 0.16 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.84 2f73 n GLU 77 Cb 0.47 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.03 2f73 n GLU 77 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2f73 s LYS 78 N -2.00 0.05 0.33 5.31 2.20 -1.26 -1.23 119.74 123.13 2f73 s LYS 78 Ca 0.00 0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 2f73 s LYS 78 Cb 0.00 -0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.05 2f73 s LYS 78 CO 0.00 -0.17 0.04 0.14 -0.36 0.00 0.00 175.35 175.00 2f73 s VAL 79 N 1.13 1.33 -0.19 4.02 -7.23 0.72 -4.96 120.40 115.22 2f73 s VAL 79 Ca -0.09 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 2f73 s VAL 79 Cb -0.12 -2.77 0.02 0.00 0.56 0.00 0.00 36.38 34.07 2f73 s VAL 79 CO -0.05 -0.04 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.98 2f73 s LYS 80 N -3.85 3.04 0.11 4.82 1.02 -1.26 -0.10 119.74 123.52 2f73 s LYS 80 Ca 0.35 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 2f73 s LYS 80 Cb 0.08 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2f73 s LYS 80 CO 0.15 -0.21 0.46 -0.08 -0.92 0.00 0.00 175.35 174.75 2f73 s THR 81 N 1.32 0.05 -0.13 2.17 -1.32 -1.04 -5.00 115.64 111.68 2f73 s THR 81 Ca 0.05 -0.39 -0.06 0.00 -1.21 0.00 0.00 61.69 60.08 2f73 s THR 81 Cb -0.13 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 2f73 s THR 81 CO -0.12 -0.22 0.07 -0.69 -2.21 0.00 0.00 174.62 171.46 2f73 s VAL 82 N -3.37 4.89 -0.22 5.08 1.01 -1.26 -3.27 120.40 123.27 2f73 s VAL 82 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 2f73 s VAL 82 Cb 0.01 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2f73 s VAL 82 CO -0.09 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.01 2f73 s VAL 83 N -0.45 5.32 0.26 2.92 1.01 -1.26 -4.54 120.40 123.66 2f73 s VAL 83 Ca 0.10 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.33 2f73 s VAL 83 Cb -0.12 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2f73 s VAL 83 CO 0.02 0.39 0.06 -1.58 0.00 0.00 0.00 175.10 173.99 2f73 s GLN 84 N 0.72 2.49 -0.30 2.72 2.00 -0.63 0.94 119.66 127.61 2f73 s GLN 84 Ca 0.07 -1.30 -0.07 0.00 -2.00 0.00 0.00 55.36 52.07 2f73 s GLN 84 Cb -0.12 -2.29 0.01 0.00 0.80 0.00 0.00 33.01 31.40 2f73 s GLN 84 CO 0.01 0.38 0.09 -1.17 -0.50 0.00 0.00 175.29 174.11 2f73 s LEU 85 N -3.70 3.90 -0.22 3.68 2.96 -1.26 -1.18 118.68 122.87 2f73 s LEU 85 Ca 0.32 -0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2f73 s LEU 85 Cb -0.07 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2f73 s LEU 85 CO 0.21 -0.20 0.03 -1.61 -1.32 0.00 0.00 176.35 173.46 2f73 s GLU 86 N 1.52 3.64 4.79 1.98 2.02 -0.63 -4.98 118.70 127.04 2f73 s GLU 86 Ca 0.03 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2f73 s GLU 86 Cb -0.17 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2f73 s GLU 86 CO 0.03 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2f73 n GLY 87 N 4.45 1.50 0.02 -1.39 0.00 -1.26 -1.72 105.19 106.78 2f73 n GLY 87 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2f73 n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f73 n ASP 88 N 1.87 1.15 -0.71 1.61 5.68 -1.26 -4.74 116.55 120.15 2f73 n ASP 88 Ca 0.00 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 2f73 n ASP 88 Cb 0.00 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2f73 n ASP 88 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2f73 n ASN 89 N -0.03 0.15 -4.16 -1.12 6.94 -1.24 0.16 115.26 115.95 2f73 n ASN 89 Ca 0.00 -1.86 -0.26 0.00 -0.02 0.00 0.00 54.58 52.44 2f73 n ASN 89 Cb 0.04 -0.17 -0.16 0.00 -2.36 0.00 0.00 39.78 37.13 2f73 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2f73 s LYS 90 N 0.00 1.61 -0.18 -3.83 1.02 -0.70 -2.07 119.74 115.59 2f73 s LYS 90 Ca 0.06 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2f73 s LYS 90 Cb 0.07 -1.48 0.01 0.00 -0.52 0.00 0.00 37.83 35.91 2f73 s LYS 90 CO -0.03 0.32 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.05 2f73 s LEU 91 N -0.20 2.37 -0.06 3.17 1.43 -0.94 -1.60 118.68 122.85 2f73 s LEU 91 Ca 0.02 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2f73 s LEU 91 Cb -0.09 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2f73 s LEU 91 CO 0.01 0.03 -0.09 -0.69 0.23 0.00 0.00 176.35 175.84 2f73 s VAL 92 N 1.13 0.88 0.07 -1.59 1.01 -0.32 -1.69 120.40 119.89 2f73 s VAL 92 Ca 0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2f73 s VAL 92 Cb -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2f73 s VAL 92 CO -0.06 0.31 0.30 0.28 0.00 0.00 0.00 175.10 175.93 2f73 s THR 93 N 0.91 0.09 -0.01 3.92 -1.32 -0.37 -1.61 115.64 117.26 2f73 s THR 93 Ca -0.11 -0.75 0.03 0.00 -1.21 0.00 0.00 61.69 59.66 2f73 s THR 93 Cb -0.15 -1.05 -0.01 0.00 -1.51 0.00 0.00 72.50 69.78 2f73 s THR 93 CO 0.01 -0.41 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.01 2f73 s THR 94 N -3.01 0.82 -0.28 5.08 2.01 -1.26 0.40 115.64 119.39 2f73 s THR 94 Ca -0.02 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 2f73 s THR 94 Cb 0.01 -0.69 0.11 0.00 0.01 0.00 0.00 72.50 71.94 2f73 s THR 94 CO -0.06 0.22 0.88 0.72 -0.69 0.00 0.00 174.62 175.68 2f73 s PHE 95 N -0.27 -0.72 -1.61 4.92 -0.12 0.88 -4.76 117.98 116.31 2f73 s PHE 95 Ca 0.04 1.52 -0.03 0.00 -0.05 0.00 0.00 56.93 58.41 2f73 s PHE 95 Cb -0.04 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.78 2f73 s PHE 95 CO -0.00 -0.35 0.43 1.63 -0.05 0.00 0.00 175.22 176.87 2f73 n LYS 96 N 3.44 -3.94 -0.70 1.99 5.02 -1.26 -1.00 118.16 121.71 2f73 n LYS 96 Ca -0.17 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2f73 n LYS 96 Cb 0.57 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 2f73 n LYS 96 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2f73 n ASN 97 N -2.37 0.00 -4.74 4.39 5.03 -1.26 -4.97 115.26 111.35 2f73 n ASN 97 Ca -0.15 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.94 2f73 n ASN 97 Cb 0.64 -0.85 -0.07 0.00 -1.02 0.00 0.00 39.78 38.48 2f73 n ASN 97 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2f73 s ILE 98 N -2.82 5.34 -0.43 2.41 1.01 -0.17 -4.53 121.20 122.01 2f73 s ILE 98 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 2f73 s ILE 98 Cb 0.00 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.98 2f73 s ILE 98 CO 0.00 0.42 0.28 -0.75 0.00 0.00 0.00 174.94 174.89 2f73 s LYS 99 N 0.34 2.64 -0.25 2.79 2.47 -1.24 -0.08 119.74 126.41 2f73 s LYS 99 Ca 0.14 -1.48 -0.10 0.00 -1.56 0.00 0.00 55.97 52.97 2f73 s LYS 99 Cb -0.12 -3.84 -0.05 0.00 -1.46 0.00 0.00 37.83 32.36 2f73 s LYS 99 CO 0.02 -0.99 0.16 0.45 0.16 0.00 0.00 175.35 175.15 2f73 s SER 100 N 2.24 6.02 -0.04 1.43 0.15 0.16 -2.20 113.70 121.45 2f73 s SER 100 Ca 0.03 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.80 2f73 s SER 100 Cb -0.23 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2f73 s SER 100 CO 0.02 0.04 -0.20 -0.69 1.20 0.00 0.00 173.24 173.61 2f73 s VAL 101 N 1.21 1.67 -0.25 4.45 1.01 -0.37 -1.24 120.40 126.89 2f73 s VAL 101 Ca 0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2f73 s VAL 101 Cb -0.14 -1.42 0.08 0.00 0.00 0.00 0.00 36.38 34.89 2f73 s VAL 101 CO 0.06 0.47 0.05 -0.89 0.00 0.00 0.00 175.10 174.79 2f73 s THR 102 N -0.10 0.80 -0.09 3.92 2.01 -0.68 -0.63 115.64 120.87 2f73 s THR 102 Ca -0.02 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 2f73 s THR 102 Cb -0.12 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2f73 s THR 102 CO 0.02 -0.39 0.06 -0.70 -0.69 0.00 0.00 174.62 172.92 2f73 s GLU 103 N 1.70 3.14 -0.26 4.92 2.12 0.14 -2.21 118.70 128.25 2f73 s GLU 103 Ca 0.03 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.06 2f73 s GLU 103 Cb -0.17 -2.93 0.06 0.00 0.26 0.00 0.00 34.13 31.34 2f73 s GLU 103 CO -0.15 0.73 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.02 2f73 s LEU 104 N -1.01 3.42 -0.49 2.70 0.20 -0.88 -0.60 118.68 122.03 2f73 s LEU 104 Ca 0.15 -1.33 -0.02 0.00 0.69 0.00 0.00 54.13 53.61 2f73 s LEU 104 Cb -0.12 -1.57 0.13 0.00 -0.43 0.00 0.00 46.19 44.21 2f73 s LEU 104 CO 0.04 -0.19 0.28 0.20 -0.29 0.00 0.00 176.35 176.39 2f73 s ASN 105 N 1.13 5.16 1.74 3.68 0.01 -0.08 -4.82 114.94 121.76 2f73 s ASN 105 Ca -0.08 -2.40 0.00 0.00 -0.71 0.00 0.00 52.86 49.68 2f73 s ASN 105 Cb -0.20 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.65 2f73 s ASN 105 CO -0.05 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 2f73 n GLY 106 N 4.08 3.82 0.43 0.66 0.00 -1.26 -2.29 105.19 110.63 2f73 n GLY 106 Ca 0.02 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2f73 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f73 n ASP 107 N 9.03 1.47 -4.49 1.61 8.00 -1.26 -4.88 116.55 126.02 2f73 n ASP 107 Ca 0.00 -1.30 -0.31 0.00 0.71 0.00 0.00 54.79 53.89 2f73 n ASP 107 Cb 0.00 0.08 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 2f73 n ASP 107 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2f73 s ILE 108 N -2.22 2.96 -0.11 0.53 -5.25 -0.97 0.56 121.20 116.69 2f73 s ILE 108 Ca 0.31 -1.18 0.02 0.00 -0.99 0.00 0.00 60.65 58.81 2f73 s ILE 108 Cb 0.20 -2.28 0.01 0.00 2.95 0.00 0.00 42.46 43.34 2f73 s ILE 108 CO 0.42 0.29 -0.18 -0.51 -1.79 0.00 0.00 174.94 173.17 2f73 s ILE 109 N -0.99 1.67 -0.16 8.37 2.07 0.70 -0.90 121.20 131.96 2f73 s ILE 109 Ca 0.16 -0.76 -0.04 0.00 -1.41 0.00 0.00 60.65 58.60 2f73 s ILE 109 Cb -0.11 -1.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.96 2f73 s ILE 109 CO 0.07 0.47 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.66 2f73 s THR 110 N 0.84 3.96 -0.22 4.00 2.01 0.23 -1.50 115.64 124.96 2f73 s THR 110 Ca -0.09 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 2f73 s THR 110 Cb -0.16 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2f73 s THR 110 CO 0.00 0.48 -0.11 0.21 -0.69 0.00 0.00 174.62 174.51 2f73 s ASN 111 N 0.43 3.90 -0.22 3.53 3.84 0.34 -0.69 114.94 126.08 2f73 s ASN 111 Ca -0.03 -0.77 0.01 0.00 0.21 0.00 0.00 52.86 52.29 2f73 s ASN 111 Cb -0.14 -1.60 0.04 0.00 -0.55 0.00 0.00 41.25 39.00 2f73 s ASN 111 CO 0.03 -0.07 -0.14 -0.89 -2.79 0.00 0.00 177.10 173.23 2f73 s THR 112 N 1.31 2.22 -0.24 -5.21 2.01 0.19 -1.15 115.64 114.78 2f73 s THR 112 Ca 0.02 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 2f73 s THR 112 Cb -0.15 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.25 2f73 s THR 112 CO -0.07 0.25 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.01 2f73 s MET 113 N 1.22 2.99 -0.35 4.92 -1.94 -0.46 -1.23 119.30 124.44 2f73 s MET 113 Ca -0.02 -0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 53.06 2f73 s MET 113 Cb -0.16 -2.99 0.07 0.00 2.01 0.00 0.00 34.83 33.75 2f73 s MET 113 CO -0.08 -0.34 0.10 0.95 -0.01 0.00 0.00 175.02 175.63 2f73 s THR 114 N 1.37 3.24 -0.81 2.05 -4.23 -0.93 -1.37 115.64 114.95 2f73 s THR 114 Ca 0.02 -1.61 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 2f73 s THR 114 Cb -0.16 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 70.89 2f73 s THR 114 CO -0.04 -0.35 0.74 -0.22 -0.54 0.00 0.00 174.62 174.20 2f73 s LEU 115 N 1.23 6.48 0.00 4.79 2.96 -0.63 -3.61 118.68 129.91 2f73 s LEU 115 Ca 0.01 -2.79 0.00 0.00 -0.22 0.00 0.00 54.13 51.12 2f73 s LEU 115 Cb -0.21 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.33 2f73 s LEU 115 CO -0.02 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 2f73 n GLY 116 N 3.79 1.38 0.66 7.98 0.00 -1.26 -3.12 105.19 114.62 2f73 n GLY 116 Ca 0.14 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.61 2f73 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f73 n ASP 117 N 7.02 2.00 -4.70 1.61 8.00 -1.26 -4.86 116.55 124.36 2f73 n ASP 117 Ca 0.00 -1.74 -0.35 0.00 0.71 0.00 0.00 54.79 53.40 2f73 n ASP 117 Cb 0.00 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 2f73 n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f73 s ILE 118 N -1.78 5.28 -0.46 0.53 1.01 -1.18 -5.07 121.20 119.53 2f73 s ILE 118 Ca 0.34 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2f73 s ILE 118 Cb 0.19 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.37 2f73 s ILE 118 CO 0.28 0.43 0.20 -0.69 0.00 0.00 0.00 174.94 175.17 2f73 s VAL 119 N 0.44 2.25 -0.24 2.92 1.01 -1.26 -1.60 120.40 123.92 2f73 s VAL 119 Ca 0.07 -2.89 -0.29 0.00 0.00 0.00 0.00 61.98 58.87 2f73 s VAL 119 Cb -0.12 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2f73 s VAL 119 CO -0.01 -0.76 1.29 0.12 0.00 0.00 0.00 175.10 175.74 2f73 s PHE 120 N 0.17 2.75 -0.08 5.22 5.99 -0.47 -4.60 117.98 126.96 2f73 s PHE 120 Ca 0.15 0.93 0.02 0.00 0.00 0.00 0.00 56.93 58.03 2f73 s PHE 120 Cb -0.24 -3.72 0.02 0.00 0.00 0.00 0.00 43.02 39.08 2f73 s PHE 120 CO -0.03 -1.72 -0.12 0.21 -0.00 0.00 0.00 175.22 173.56 2f73 s LYS 121 N 3.87 1.78 -0.11 10.12 2.20 -0.47 -1.36 119.74 135.77 2f73 s LYS 121 Ca 0.56 -0.42 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 2f73 s LYS 121 Cb -0.19 -1.54 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 2f73 s LYS 121 CO 0.19 -0.04 -0.23 1.03 -0.36 0.00 0.00 175.35 175.94 2f73 s ARG 122 N 0.90 3.07 -0.23 4.03 0.52 -0.30 0.11 118.95 127.06 2f73 s ARG 122 Ca -0.10 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 2f73 s ARG 122 Cb -0.15 -2.34 0.04 0.00 0.52 0.00 0.00 34.95 33.02 2f73 s ARG 122 CO 0.01 0.16 -0.14 0.42 0.02 0.00 0.00 175.30 175.76 2f73 s ILE 123 N 0.40 2.20 0.22 1.52 1.01 0.21 -0.50 121.20 126.25 2f73 s ILE 123 Ca -0.17 -1.29 0.11 0.00 0.00 0.00 0.00 60.65 59.30 2f73 s ILE 123 Cb -0.18 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 2f73 s ILE 123 CO 0.07 0.22 -0.21 -0.44 0.00 0.00 0.00 174.94 174.59 2f73 s SER 124 N 1.20 3.57 0.03 3.58 0.01 -0.56 0.03 113.70 121.56 2f73 s SER 124 Ca -0.02 -0.88 0.08 0.00 1.31 0.00 0.00 55.95 56.44 2f73 s SER 124 Cb -0.17 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 2f73 s SER 124 CO -0.08 0.09 -0.24 -1.59 0.41 0.00 0.00 173.24 171.83 2f73 s LYS 125 N -2.93 1.93 0.44 12.44 -2.85 -0.88 -0.22 119.74 127.67 2f73 s LYS 125 Ca 0.24 -1.05 -0.22 0.00 -1.00 0.00 0.00 55.97 53.94 2f73 s LYS 125 Cb -0.07 -2.05 -0.09 0.00 -2.06 0.00 0.00 37.83 33.56 2f73 s LYS 125 CO 0.12 0.53 1.05 0.50 0.10 0.00 0.00 175.35 177.65 2f73 s ARG 126 N -1.19 3.98 0.00 1.78 3.52 0.19 -0.91 118.95 126.32 2f73 s ARG 126 Ca 0.12 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 2f73 s ARG 126 Cb -0.10 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 2f73 s ARG 126 CO 0.02 -0.29 0.00 0.44 -0.81 0.00 0.00 175.30 174.66