#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfr h GLN 2 N 0.00 0.00 0.43 1.43 -0.00 -1.93 -2.73 115.11 112.32 1xfr h GLN 2 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1xfr h GLN 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.46 1xfr h GLN 2 CO 0.00 0.12 -0.46 1.49 0.00 0.00 0.00 178.83 179.98 1xfr h GLU 3 N 0.00 -0.88 -0.45 1.69 4.81 -2.00 0.56 114.58 118.31 1xfr h GLU 3 Ca -0.00 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1xfr h GLU 3 Cb 0.89 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1xfr h GLU 3 CO 0.02 -0.58 0.17 -0.24 -0.73 0.00 0.00 179.01 177.64 1xfr h VAL 4 N -0.91 1.21 -0.50 0.32 3.04 -1.85 -2.67 116.25 114.89 1xfr h VAL 4 Ca -0.04 -0.67 0.10 0.00 -1.01 0.00 0.00 66.70 65.07 1xfr h VAL 4 Cb 0.81 0.80 -0.09 0.00 -2.01 0.00 0.00 31.29 30.80 1xfr h VAL 4 CO -0.08 0.25 -0.09 -0.03 -1.01 0.00 0.00 177.57 176.61 1xfr h MET 5 N 0.59 0.03 -0.08 4.17 1.85 -1.36 0.11 114.93 120.24 1xfr h MET 5 Ca 0.15 -0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.27 1xfr h MET 5 Cb 0.22 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 1xfr h MET 5 CO -0.01 0.02 -0.11 -0.22 -0.40 0.00 0.00 176.91 176.19 1xfr h LYS 6 N 0.03 -0.15 -0.27 0.39 3.64 -0.62 -2.66 116.57 116.94 1xfr h LYS 6 Ca 0.25 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1xfr h LYS 6 Cb 0.38 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1xfr h LYS 6 CO -0.49 -0.10 0.08 -0.97 -2.27 0.00 0.00 179.45 175.70 1xfr h ASN 7 N -0.15 0.33 -0.30 4.20 -1.24 -1.03 -1.20 115.58 116.19 1xfr h ASN 7 Ca 0.07 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 1xfr h ASN 7 Cb 0.25 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1xfr h ASN 7 CO -0.17 0.33 0.00 -0.07 -1.29 0.00 0.00 177.43 176.23 1xfr h LEU 8 N 0.37 0.52 -1.41 0.34 3.38 -0.51 -0.93 115.31 117.07 1xfr h LEU 8 Ca 0.09 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1xfr h LEU 8 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xfr h LEU 8 CO -0.01 0.70 -0.26 0.28 0.09 0.00 0.00 178.44 179.24 1xfr h SER 9 N 0.32 0.00 0.08 -0.43 0.02 -1.10 -1.69 113.55 110.76 1xfr h SER 9 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1xfr h SER 9 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xfr h SER 9 CO 0.02 0.26 -0.04 0.25 -1.14 0.00 0.00 176.83 176.18 1xfr h LEU 10 N 0.00 -0.09 -0.89 5.07 5.85 -0.94 -1.40 115.31 122.91 1xfr h LEU 10 Ca -0.00 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1xfr h LEU 10 Cb 0.60 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1xfr h LEU 10 CO 0.03 0.47 -0.33 0.78 -0.34 0.00 0.00 178.44 179.06 1xfr h ASN 11 N -0.69 0.43 0.18 1.25 2.35 -1.18 -2.42 115.58 115.51 1xfr h ASN 11 Ca -0.01 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1xfr h ASN 11 Cb 0.56 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1xfr h ASN 11 CO 0.02 0.74 -0.26 0.15 -1.65 0.00 0.00 177.43 176.42 1xfr h PHE 12 N 0.36 -0.71 0.00 1.19 3.57 -1.30 -2.81 116.94 117.24 1xfr h PHE 12 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xfr h PHE 12 Cb 0.76 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1xfr h PHE 12 CO 0.02 -0.38 0.00 0.41 -2.23 0.00 0.00 178.31 176.14 1xfr n GLY 13 N -1.38 -0.47 0.26 2.40 0.00 -0.53 -4.02 105.19 101.45 1xfr n GLY 13 Ca -0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1xfr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfr h LYS 14 N 0.00 -0.43 -0.79 1.61 1.79 -1.20 -2.79 116.57 114.77 1xfr h LYS 14 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1xfr h LYS 14 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1xfr h LYS 14 CO 0.00 -0.28 0.00 0.00 -1.08 0.00 0.00 179.45 178.09 1xfr n ALA 15 N -2.67 2.43 0.08 3.86 0.00 -1.26 -4.37 120.51 118.58 1xfr n ALA 15 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1xfr n ALA 15 Cb 0.23 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1xfr n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xfr h LEU 16 N 0.04 -0.88 -0.80 0.00 5.85 -1.75 -1.42 115.31 116.35 1xfr h LEU 16 Ca 0.00 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 1xfr h LEU 16 Cb 0.39 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1xfr h LEU 16 CO 0.00 -0.37 -0.51 -0.78 -0.34 0.00 0.00 178.44 176.44 1xfr h ASP 17 N -0.47 0.25 0.06 1.25 3.58 -1.84 0.19 116.42 119.44 1xfr h ASP 17 Ca 0.05 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.39 1xfr h ASP 17 Cb 0.54 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1xfr h ASP 17 CO -0.23 0.72 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.42 1xfr h GLU 18 N 0.18 -0.20 -0.42 0.28 4.39 -1.84 -1.23 114.58 115.75 1xfr h GLU 18 Ca 0.01 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1xfr h GLU 18 Cb 0.96 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1xfr h GLU 18 CO 0.08 -0.13 0.17 0.00 -1.16 0.00 0.00 179.01 177.96 1xfr h LYS 20 N 0.59 -0.91 -0.50 0.00 1.57 -0.23 -2.54 116.57 114.55 1xfr h LYS 20 Ca 0.15 0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1xfr h LYS 20 Cb 0.12 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1xfr h LYS 20 CO -0.02 -0.61 -0.00 0.87 -0.57 0.00 0.00 179.45 179.12 1xfr h LYS 21 N -0.95 0.84 -0.30 3.15 6.56 -0.96 0.27 116.57 125.19 1xfr h LYS 21 Ca -0.08 -0.24 0.08 0.00 -1.06 0.00 0.00 60.65 59.35 1xfr h LYS 21 Cb 0.77 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 1xfr h LYS 21 CO 0.06 0.85 0.21 0.93 -2.06 0.00 0.00 179.45 179.44 1xfr h GLU 22 N 0.78 0.04 -0.00 3.15 5.08 -0.73 -2.26 114.58 120.64 1xfr h GLU 22 Ca 0.15 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xfr h GLU 22 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xfr h GLU 22 CO 0.02 0.02 -0.00 -1.33 -1.00 0.00 0.00 179.01 176.72 1xfr n MET 23 N -4.46 -0.29 -3.42 2.33 2.81 -0.97 -5.04 117.12 108.09 1xfr n MET 23 Ca 0.04 -0.53 -0.18 0.00 -1.81 0.00 0.00 57.70 55.22 1xfr n MET 23 Cb 0.35 -0.99 0.01 0.00 -0.71 0.00 0.00 33.22 31.88 1xfr n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1xfr n THR 24 N -0.02 -6.35 -4.10 2.03 -1.04 0.66 -5.05 114.28 100.42 1xfr n THR 24 Ca 0.01 0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 1xfr n THR 24 Cb 0.03 -4.72 -0.07 0.00 -1.82 0.00 0.00 70.33 63.75 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -3.96 3.77 0.90 -4.42 1.43 0.35 -5.01 118.68 111.75 1xfr s LEU 25 Ca 0.10 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1xfr s LEU 25 Cb -0.02 -2.34 0.19 0.00 0.03 0.00 0.00 46.19 44.05 1xfr s LEU 25 CO 0.84 0.22 1.24 0.42 0.23 0.00 0.00 176.35 179.29 1xfr s THR 26 N -1.28 2.02 0.19 5.49 -4.23 -1.26 -4.58 115.64 111.99 1xfr s THR 26 Ca 0.26 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.59 1xfr s THR 26 Cb -0.12 -2.84 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 1xfr s THR 26 CO 0.18 0.00 1.47 -0.78 -0.54 0.00 0.00 174.62 174.95 1xfr h ASP 27 N -1.36 0.39 -0.11 3.99 3.58 -2.00 -3.34 116.42 117.56 1xfr h ASP 27 Ca -0.42 -0.25 0.03 0.00 0.42 0.00 0.00 57.03 56.82 1xfr h ASP 27 Cb 1.24 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 1xfr h ASP 27 CO 0.36 0.97 0.19 0.00 -2.88 0.00 0.00 179.24 177.88 1xfr h ALA 28 N 1.02 1.57 0.00 -0.78 0.00 -2.03 0.14 119.26 119.18 1xfr h ALA 28 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xfr h ALA 28 Cb 1.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xfr h ALA 28 CO 0.12 -0.25 -0.02 -0.84 0.00 0.00 0.00 179.25 178.26 1xfr h ILE 29 N 0.00 0.50 -0.99 0.00 3.07 -1.98 0.28 117.51 118.39 1xfr h ILE 29 Ca 0.05 -0.08 0.21 0.00 1.55 0.00 0.00 64.86 66.59 1xfr h ILE 29 Cb 0.43 1.05 -0.10 0.00 -0.27 0.00 0.00 36.82 37.94 1xfr h ILE 29 CO -0.00 0.02 0.62 -0.55 -1.05 0.00 0.00 178.15 177.19 1xfr h ASN 30 N 0.00 0.64 -0.24 2.16 7.08 -0.99 -0.44 115.58 123.78 1xfr h ASN 30 Ca -0.00 0.09 -0.17 0.00 -3.08 0.00 0.00 56.30 53.13 1xfr h ASN 30 Cb 0.05 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 1xfr h ASN 30 CO 0.00 0.20 -0.53 1.05 -2.08 0.00 0.00 177.43 176.08 1xfr h GLU 31 N 0.61 0.78 0.00 4.14 4.11 -1.14 0.17 114.58 123.25 1xfr h GLU 31 Ca 0.57 -0.52 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1xfr h GLU 31 Cb 1.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1xfr h GLU 31 CO -0.33 1.15 -0.17 -0.44 0.07 0.00 0.00 179.01 179.28 1xfr h ASP 32 N 0.53 0.00 0.05 3.06 5.19 -1.23 0.14 116.42 124.16 1xfr h ASP 32 Ca 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 1xfr h ASP 32 Cb 1.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1xfr h ASP 32 CO 0.12 0.17 -1.21 -0.26 -3.12 0.00 0.00 179.24 174.93 1xfr h PHE 33 N 0.00 0.20 0.31 4.55 0.04 -1.04 -3.22 116.94 117.79 1xfr h PHE 33 Ca -0.00 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1xfr h PHE 33 Cb 0.64 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1xfr h PHE 33 CO 0.00 1.48 -0.15 -0.92 -0.60 0.00 0.00 178.31 178.11 1xfr h TYR 34 N -0.65 -0.39 0.00 -0.55 3.20 -0.57 -2.98 116.97 115.03 1xfr h TYR 34 Ca -0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1xfr h TYR 34 Cb 1.49 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.89 1xfr h TYR 34 CO 0.13 -0.08 0.00 0.09 -1.64 0.00 0.00 178.16 176.66 1xfr n ASN 35 N -5.15 0.00 -0.32 -2.11 3.02 0.48 -4.42 115.26 106.76 1xfr n ASN 35 Ca -0.10 -1.04 0.16 0.00 -0.03 0.00 0.00 54.58 53.57 1xfr n ASN 35 Cb 0.26 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.78 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 36 N 0.00 0.72 -0.10 3.10 3.57 -1.53 -0.16 116.94 122.54 1xfr h PHE 36 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xfr h PHE 36 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1xfr h PHE 36 CO 0.00 -0.09 0.00 0.91 -2.23 0.00 0.00 178.31 176.90 1xfr n TRP 37 N -5.05 0.14 -1.20 0.41 7.02 -1.26 -4.82 117.44 112.67 1xfr n TRP 37 Ca 0.25 -0.07 -0.33 0.00 -1.02 0.00 0.00 57.50 56.33 1xfr n TRP 37 Cb 0.76 0.00 0.11 0.00 -2.42 0.00 0.00 31.31 29.76 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1xfr s LYS 38 N -1.86 1.82 -0.01 -0.99 3.01 -0.08 -4.89 119.74 116.75 1xfr s LYS 38 Ca 0.14 1.63 0.00 0.00 -1.01 0.00 0.00 55.97 56.73 1xfr s LYS 38 Cb 0.07 -1.81 0.02 0.00 -1.01 0.00 0.00 37.83 35.10 1xfr s LYS 38 CO 0.10 -2.05 0.74 -0.85 0.51 0.00 0.00 175.35 173.80 1xfr n GLU 39 N -3.25 1.08 0.00 1.68 0.28 -1.26 -3.33 120.64 115.83 1xfr n GLU 39 Ca 0.12 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1xfr n GLU 39 Cb 0.51 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.06 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xfr n GLY 40 N 0.20 0.00 3.71 -1.84 0.00 -1.26 -5.15 105.19 100.85 1xfr n GLY 40 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xfr n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xfr s TYR 41 N 0.00 3.37 0.06 1.61 6.14 -1.21 -5.04 117.35 122.28 1xfr s TYR 41 Ca 0.00 1.28 0.01 0.00 0.64 0.00 0.00 57.07 59.00 1xfr s TYR 41 Cb 0.00 -3.41 -0.04 0.00 0.42 0.00 0.00 41.96 38.93 1xfr s TYR 41 CO 0.00 -1.27 0.17 -1.21 0.64 0.00 0.00 175.55 173.89 1xfr s GLU 42 N 1.35 3.28 -0.15 4.97 8.01 -1.26 -4.98 118.70 129.93 1xfr s GLU 42 Ca 0.58 -0.51 0.02 0.00 0.01 0.00 0.00 54.97 55.07 1xfr s GLU 42 Cb -0.28 -2.95 0.02 0.00 -4.31 0.00 0.00 34.13 26.60 1xfr s GLU 42 CO 0.27 0.60 -0.19 0.42 0.01 0.00 0.00 175.26 176.37 1xfr s ILE 43 N -1.47 1.93 0.00 -1.63 1.01 -1.26 -4.97 121.20 114.80 1xfr s ILE 43 Ca 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1xfr s ILE 43 Cb -0.13 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1xfr s ILE 43 CO 0.26 0.52 0.00 0.29 0.00 0.00 0.00 174.94 176.01 1xfr n LYS 44 N 4.36 3.43 -1.92 2.79 4.76 -1.26 -5.05 118.16 125.28 1xfr n LYS 44 Ca -0.20 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.82 1xfr n LYS 44 Cb 0.51 -0.45 -0.03 0.00 -1.84 0.00 0.00 35.03 33.22 1xfr n LYS 44 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfr s ASN 45 N -0.36 6.37 0.54 4.39 0.01 -1.26 -4.85 114.94 119.78 1xfr s ASN 45 Ca 0.00 2.09 0.28 0.00 -0.71 0.00 0.00 52.86 54.52 1xfr s ASN 45 Cb 0.00 -2.53 1.44 0.00 0.41 0.00 0.00 41.25 40.57 1xfr s ASN 45 CO 0.00 -1.19 1.96 -0.09 -1.51 0.00 0.00 177.10 176.27 1xfr h ARG 46 N 10.85 0.00 -0.80 -0.60 2.43 -1.97 -1.26 114.38 123.04 1xfr h ARG 46 Ca -0.40 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.81 1xfr h ARG 46 Cb 1.19 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 1xfr h ARG 46 CO 0.97 0.00 0.52 0.93 -1.51 0.00 0.00 179.97 180.88 1xfr h GLU 47 N 0.00 0.93 -0.06 0.20 4.39 -1.93 -0.84 114.58 117.27 1xfr h GLU 47 Ca 0.30 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.72 1xfr h GLU 47 Cb 1.22 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1xfr h GLU 47 CO -0.00 0.62 -0.85 1.79 -1.16 0.00 0.00 179.01 179.40 1xfr h THR 48 N 0.96 1.35 -0.12 1.13 1.35 -1.62 -0.69 112.91 115.28 1xfr h THR 48 Ca 0.32 -2.22 0.04 0.00 -0.55 0.00 0.00 66.41 64.00 1xfr h THR 48 Cb 0.07 2.22 -0.05 0.00 -1.73 0.00 0.00 68.15 68.67 1xfr h THR 48 CO -0.10 0.68 -0.15 1.23 -0.25 0.00 0.00 175.52 176.92 1xfr h GLY 49 N 1.01 -0.10 1.87 5.82 0.00 -1.35 0.17 103.07 110.49 1xfr h GLY 49 Ca -0.06 0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1xfr h GLY 49 CO 0.16 -0.15 -0.44 0.00 0.00 0.00 0.00 176.54 176.11 1xfr h ALA 51 N 1.43 0.00 -0.32 0.00 0.00 -0.38 0.31 119.26 120.32 1xfr h ALA 51 Ca 0.01 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1xfr h ALA 51 Cb 0.82 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1xfr h ALA 51 CO 0.06 -0.42 -0.10 0.82 0.00 0.00 0.00 179.25 179.61 1xfr h ILE 52 N -0.16 0.63 -0.49 0.00 2.04 -0.62 0.46 117.51 119.36 1xfr h ILE 52 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xfr h ILE 52 Cb 0.16 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1xfr h ILE 52 CO -0.00 0.00 0.32 -0.03 0.00 0.00 0.00 178.15 178.44 1xfr h MET 53 N -0.04 0.66 -0.50 2.37 4.05 -1.16 0.30 114.93 120.61 1xfr h MET 53 Ca 0.16 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 1xfr h MET 53 Cb 0.28 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1xfr h MET 53 CO -0.35 0.45 0.16 0.00 0.23 0.00 0.00 176.91 177.41 1xfr h LEU 55 N 0.68 -0.16 -0.83 0.00 3.38 -0.67 -1.53 115.31 116.17 1xfr h LEU 55 Ca 0.16 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1xfr h LEU 55 Cb 0.27 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1xfr h LEU 55 CO -0.01 -0.09 0.48 0.28 0.09 0.00 0.00 178.44 179.20 1xfr h SER 56 N -0.10 0.68 -0.34 -0.43 0.02 -0.46 0.84 113.55 113.76 1xfr h SER 56 Ca 0.02 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1xfr h SER 56 Cb 0.13 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 1xfr h SER 56 CO -0.05 0.38 -0.28 0.74 -1.14 0.00 0.00 176.83 176.48 1xfr h THR 57 N 0.79 0.31 0.00 -2.27 2.02 -0.43 0.10 112.91 113.43 1xfr h THR 57 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1xfr h THR 57 Cb 0.38 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1xfr h THR 57 CO -0.25 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.75 1xfr h LYS 58 N -0.24 0.00 -0.56 6.66 1.57 0.17 0.13 116.57 124.31 1xfr h LYS 58 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xfr h LYS 58 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xfr h LYS 58 CO -0.47 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.69 1xfr n LEU 59 N -2.77 3.09 -2.37 2.94 7.99 -0.74 -4.93 117.00 120.21 1xfr n LEU 59 Ca -0.00 -1.55 -0.19 0.00 -0.01 0.00 0.00 56.01 54.26 1xfr n LEU 59 Cb 0.20 -0.41 -0.01 0.00 -0.11 0.00 0.00 43.42 43.10 1xfr n LEU 59 CO 0.22 0.65 -0.24 0.59 -1.51 0.00 0.00 177.39 177.11 1xfr n ASN 60 N 0.90 -5.36 -0.25 -1.43 4.13 0.47 -4.83 115.26 108.88 1xfr n ASN 60 Ca 0.18 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1xfr n ASN 60 Cb 0.54 -4.49 0.00 0.00 -1.54 0.00 0.00 39.78 34.29 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1xfr n MET 61 N -2.93 0.96 -3.99 3.52 2.81 0.30 -4.53 117.12 113.26 1xfr n MET 61 Ca -0.22 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.37 1xfr n MET 61 Cb 0.67 -1.24 -0.16 0.00 -0.71 0.00 0.00 33.22 31.77 1xfr n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xfr s LEU 62 N -0.50 1.82 0.00 4.03 1.43 -1.26 -0.80 118.68 123.41 1xfr s LEU 62 Ca 0.00 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1xfr s LEU 62 Cb 0.00 -1.13 0.24 0.00 0.03 0.00 0.00 46.19 45.33 1xfr s LEU 62 CO 0.00 -0.11 1.08 -0.67 0.23 0.00 0.00 176.35 176.88 1xfr n ASP 63 N 4.77 -1.09 -1.75 2.29 -0.08 -1.25 -4.63 116.55 114.81 1xfr n ASP 63 Ca -0.15 -1.24 -0.04 0.00 -1.51 0.00 0.00 54.79 51.84 1xfr n ASP 63 Cb 0.49 -0.91 -0.06 0.00 2.34 0.00 0.00 41.12 42.98 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xfr n PRO 64 N -4.09 1.21 0.00 -0.67 -0.04 -1.26 -2.42 135.00 127.74 1xfr n PRO 64 Ca 0.14 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1xfr n PRO 64 Cb 0.52 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1xfr n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfr n GLU 65 N 1.93 0.72 -1.84 0.54 -0.58 -1.26 -5.06 120.64 115.09 1xfr n GLU 65 Ca 0.14 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.84 1xfr n GLU 65 Cb 0.58 -0.33 -0.01 0.00 -0.57 0.00 0.00 31.44 31.12 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfr n GLY 66 N 0.12 0.32 2.56 0.62 0.00 -1.01 -4.96 105.19 102.84 1xfr n GLY 66 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1xfr n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xfr n ASN 67 N 1.18 2.71 -1.54 1.61 3.02 -1.26 -5.01 115.26 115.97 1xfr n ASN 67 Ca -0.05 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1xfr n ASN 67 Cb 0.44 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1xfr n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xfr n LEU 68 N -0.14 -1.62 -4.43 3.41 0.00 -1.26 -4.84 117.00 108.13 1xfr n LEU 68 Ca 0.24 2.50 -0.44 0.00 0.00 0.00 0.00 56.01 58.31 1xfr n LEU 68 Cb 0.68 -2.95 -0.03 0.00 0.00 0.00 0.00 43.42 41.11 1xfr n LEU 68 CO 0.29 -0.18 0.78 -2.28 0.00 0.00 0.00 177.39 176.00 1xfr s HIS 69 N -4.37 3.07 0.39 1.96 5.65 0.02 -3.89 115.29 118.11 1xfr s HIS 69 Ca 0.00 -1.20 0.13 0.00 0.25 0.00 0.00 55.06 54.24 1xfr s HIS 69 Cb 0.00 -4.20 0.97 0.00 -1.18 0.00 0.00 32.58 28.17 1xfr s HIS 69 CO 0.00 -1.44 1.87 0.45 -0.65 0.00 0.00 174.74 174.97 1xfr h HIS 70 N 8.95 0.65 0.00 3.88 -0.00 -1.88 0.64 115.15 127.39 1xfr h HIS 70 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1xfr h HIS 70 Cb 1.05 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 1xfr h HIS 70 CO 1.06 0.22 0.00 0.41 -0.00 0.00 0.00 177.93 179.61 1xfr n GLY 71 N -1.48 -2.98 0.32 2.45 0.00 -1.26 -2.34 105.19 99.90 1xfr n GLY 71 Ca 0.17 0.11 0.18 0.00 0.00 0.00 0.00 46.02 46.49 1xfr n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xfr h ASN 72 N 0.00 0.00 0.67 1.61 4.21 -1.74 0.13 115.58 120.46 1xfr h ASN 72 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1xfr h ASN 72 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1xfr h ASN 72 CO 0.00 0.00 -0.32 0.00 -1.29 0.00 0.00 177.43 175.82 1xfr h ALA 73 N 1.95 -0.90 -0.59 -0.83 0.00 -1.01 -2.35 119.26 115.53 1xfr h ALA 73 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1xfr h ALA 73 Cb 0.08 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1xfr h ALA 73 CO -0.00 -0.94 0.25 1.98 0.00 0.00 0.00 179.25 180.55 1xfr h MET 74 N -1.04 0.87 -0.17 0.00 1.85 -0.62 -2.81 114.93 113.03 1xfr h MET 74 Ca -0.09 -0.15 -0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1xfr h MET 74 Cb 0.72 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 1xfr h MET 74 CO 0.15 0.73 0.09 0.93 -0.40 0.00 0.00 176.91 178.42 1xfr h GLU 75 N 0.81 0.23 -0.76 0.39 4.39 -0.92 -0.64 114.58 118.08 1xfr h GLU 75 Ca 0.20 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.01 1xfr h GLU 75 Cb 0.17 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.68 1xfr h GLU 75 CO -0.02 0.23 0.32 0.35 -1.16 0.00 0.00 179.01 178.73 1xfr h PHE 76 N 0.17 0.54 0.39 4.33 3.57 -1.37 0.26 116.94 124.84 1xfr h PHE 76 Ca 0.06 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1xfr h PHE 76 Cb 0.07 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1xfr h PHE 76 CO -0.04 0.08 -0.19 0.00 -2.23 0.00 0.00 178.31 175.93 1xfr h ALA 77 N 1.54 -1.12 -0.97 2.41 0.00 -1.03 -2.73 119.26 117.36 1xfr h ALA 77 Ca 0.42 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1xfr h ALA 77 Cb 0.62 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1xfr h ALA 77 CO -0.39 -1.09 0.62 0.87 0.00 0.00 0.00 179.25 179.26 1xfr h LYS 78 N -0.54 1.01 -0.70 0.00 6.56 -0.97 -1.45 116.57 120.48 1xfr h LYS 78 Ca -0.05 -0.06 0.14 0.00 -1.06 0.00 0.00 60.65 59.61 1xfr h LYS 78 Cb 0.41 -0.23 -0.10 0.00 -0.57 0.00 0.00 32.23 31.74 1xfr h LYS 78 CO 0.09 0.67 0.21 -0.22 -2.06 0.00 0.00 179.45 178.14 1xfr h LYS 79 N 1.04 0.32 -0.00 3.15 3.64 -0.94 -0.96 116.57 122.82 1xfr h LYS 79 Ca 0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1xfr h LYS 79 Cb 0.33 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xfr h LYS 79 CO -0.20 0.21 -0.02 0.72 -2.27 0.00 0.00 179.45 177.89 1xfr n HIS 80 N -5.09 0.00 0.00 1.91 8.25 -0.63 -4.88 115.22 114.78 1xfr n HIS 80 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1xfr n HIS 80 Cb 0.40 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1xfr n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfr n GLY 81 N 1.15 1.26 3.75 -1.41 0.00 -0.36 -4.82 105.19 104.76 1xfr n GLY 81 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr s ALA 82 N -2.00 2.66 0.70 4.61 0.00 -0.68 -4.96 121.76 122.10 1xfr s ALA 82 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1xfr s ALA 82 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1xfr s ALA 82 CO 0.00 -1.24 1.07 -0.51 0.00 0.00 0.00 175.76 175.09 1xfr s ASP 83 N -1.32 5.11 0.09 0.00 1.01 -1.26 -4.51 116.67 115.78 1xfr s ASP 83 Ca 0.75 1.75 -0.30 0.00 0.71 0.00 0.00 52.55 55.46 1xfr s ASP 83 Cb -0.35 -2.51 -0.15 0.00 1.01 0.00 0.00 42.92 40.91 1xfr s ASP 83 CO 0.39 -1.63 1.65 -0.08 0.21 0.00 0.00 175.17 175.71 1xfr h GLU 84 N -0.63 -0.61 -0.66 8.23 4.22 -1.99 0.00 114.58 123.14 1xfr h GLU 84 Ca -0.44 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.05 1xfr h GLU 84 Cb 1.22 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1xfr h GLU 84 CO 0.55 -0.41 0.44 1.15 -2.18 0.00 0.00 179.01 178.55 1xfr h THR 85 N -0.64 1.17 0.03 0.32 2.02 -1.98 -1.13 112.91 112.70 1xfr h THR 85 Ca -0.04 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1xfr h THR 85 Cb 0.53 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1xfr h THR 85 CO 0.04 0.16 -0.14 -0.03 0.37 0.00 0.00 175.52 175.92 1xfr h MET 86 N 0.89 -0.24 -0.70 6.66 1.85 -1.89 0.27 114.93 121.77 1xfr h MET 86 Ca 0.24 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.28 1xfr h MET 86 Cb -0.10 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 31.96 1xfr h MET 86 CO -0.05 -0.16 0.16 0.00 -0.40 0.00 0.00 176.91 176.45 1xfr h ALA 87 N 0.67 0.96 -0.18 0.39 0.00 -0.63 -1.20 119.26 119.27 1xfr h ALA 87 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1xfr h ALA 87 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xfr h ALA 87 CO -0.11 0.67 -0.34 0.37 0.00 0.00 0.00 179.25 179.83 1xfr h GLN 88 N 1.06 0.36 0.36 0.00 5.75 -0.90 -2.92 115.11 118.82 1xfr h GLN 88 Ca 0.22 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1xfr h GLN 88 Cb 0.39 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1xfr h GLN 88 CO 0.00 0.66 -0.17 1.96 -2.65 0.00 0.00 178.83 178.63 1xfr h GLN 89 N 0.31 -0.47 -0.58 1.69 4.20 0.15 0.24 115.11 120.65 1xfr h GLN 89 Ca 0.04 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.90 1xfr h GLN 89 Cb 0.75 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.53 1xfr h GLN 89 CO 0.06 -0.31 -0.14 -0.07 -0.67 0.00 0.00 178.83 177.70 1xfr h LEU 90 N -0.48 -0.53 -0.43 1.46 4.07 -1.19 0.60 115.31 118.81 1xfr h LEU 90 Ca -0.05 0.17 -0.18 0.00 0.08 0.00 0.00 57.88 57.91 1xfr h LEU 90 Cb 0.37 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1xfr h LEU 90 CO 0.08 -0.19 -0.75 0.40 -1.08 0.00 0.00 178.44 176.90 1xfr h ILE 91 N 0.00 1.42 -0.69 1.22 5.03 -1.31 -1.02 117.51 122.16 1xfr h ILE 91 Ca 0.28 -2.26 -0.06 0.00 -0.12 0.00 0.00 64.86 62.71 1xfr h ILE 91 Cb 0.43 2.20 -0.03 0.00 -3.03 0.00 0.00 36.82 36.39 1xfr h ILE 91 CO -0.59 0.67 0.21 -0.78 -0.68 0.00 0.00 178.15 176.97 1xfr h ASP 92 N 0.19 1.01 -0.02 1.72 3.58 0.60 0.24 116.42 123.73 1xfr h ASP 92 Ca -0.03 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 1xfr h ASP 92 Cb 1.32 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1xfr h ASP 92 CO 0.12 0.95 -0.21 0.40 -2.88 0.00 0.00 179.24 177.62 1xfr h ILE 93 N 1.01 1.51 0.59 2.25 2.04 -0.93 -2.22 117.51 121.76 1xfr h ILE 93 Ca 0.22 -1.80 -0.03 0.00 1.00 0.00 0.00 64.86 64.25 1xfr h ILE 93 Cb 0.31 2.62 0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1xfr h ILE 93 CO -0.01 0.49 -0.28 0.58 0.00 0.00 0.00 178.15 178.93 1xfr h VAL 94 N -0.45 0.40 -0.08 1.67 2.07 -1.15 -1.41 116.25 117.30 1xfr h VAL 94 Ca -0.02 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1xfr h VAL 94 Cb 0.92 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1xfr h VAL 94 CO 0.04 0.01 0.06 -0.74 0.02 0.00 0.00 177.57 176.96 1xfr h HIS 95 N -0.85 0.03 0.26 1.57 -0.00 -0.62 0.18 115.15 115.72 1xfr h HIS 95 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1xfr h HIS 95 Cb 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1xfr h HIS 95 CO -0.02 0.02 -0.13 0.78 -0.00 0.00 0.00 177.93 178.58 1xfr h GLY 96 N 0.03 -0.37 -0.64 5.26 0.00 -1.29 -3.30 103.07 102.76 1xfr h GLY 96 Ca 0.04 0.14 0.35 0.00 0.00 0.00 0.00 47.33 47.86 1xfr h GLY 96 CO -0.00 -0.13 0.76 0.00 0.00 0.00 0.00 176.54 177.16 1xfr h GLU 98 N 0.23 0.00 0.00 0.00 5.08 -1.07 0.63 114.58 119.45 1xfr h GLU 98 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1xfr h GLU 98 Cb 2.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1xfr h GLU 98 CO -0.36 0.00 -0.62 0.36 -1.00 0.00 0.00 179.01 177.40 1xfr n LYS 99 N -3.89 2.30 -0.26 2.33 0.00 -0.59 -4.70 118.16 113.36 1xfr n LYS 99 Ca 0.21 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.57 1xfr n LYS 99 Cb 1.14 -0.81 0.19 0.00 -0.00 0.00 0.00 35.03 35.55 1xfr n LYS 99 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1xfr h SER 100 N 0.00 0.35 -3.09 -5.58 0.02 -0.89 -3.39 113.55 100.97 1xfr h SER 100 Ca 0.00 0.10 -0.56 0.00 -0.84 0.00 0.00 61.79 60.49 1xfr h SER 100 Cb 0.62 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1xfr h SER 100 CO 0.00 0.15 0.71 -0.89 -1.14 0.00 0.00 176.83 175.66 1xfr s THR 101 N -6.02 4.36 0.28 -2.27 2.01 0.21 -4.99 115.64 109.22 1xfr s THR 101 Ca -0.12 1.67 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 1xfr s THR 101 Cb 0.20 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 1xfr s THR 101 CO 0.77 -0.03 1.00 -2.16 -0.69 0.00 0.00 174.62 173.51 1xfr s PRO 102 N 2.40 4.70 0.22 4.92 0.04 -1.26 -4.86 135.00 141.15 1xfr s PRO 102 Ca 0.54 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 1xfr s PRO 102 Cb -0.23 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1xfr s PRO 102 CO 0.20 0.34 0.50 0.00 0.04 0.00 0.00 177.00 178.07 1xfr s ALA 103 N -1.27 -0.62 0.98 8.56 0.00 -1.26 -5.00 121.76 123.16 1xfr s ALA 103 Ca 0.45 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1xfr s ALA 103 Cb -0.27 0.92 0.18 0.00 0.00 0.00 0.00 23.12 23.96 1xfr s ALA 103 CO 0.34 -0.82 1.10 0.54 0.00 0.00 0.00 175.76 176.91 1xfr s ASN 104 N -2.94 2.77 0.00 0.00 4.22 -1.26 -4.94 114.94 112.80 1xfr s ASN 104 Ca 0.15 1.13 0.09 0.00 -2.14 0.00 0.00 52.86 52.09 1xfr s ASN 104 Cb -0.01 -1.78 0.46 0.00 1.28 0.00 0.00 41.25 41.20 1xfr s ASN 104 CO 0.02 -3.03 1.21 -0.67 -2.04 0.00 0.00 177.10 172.59 1xfr n ASP 105 N -4.10 0.00 -4.56 3.54 2.03 -1.26 -4.50 116.55 107.70 1xfr n ASP 105 Ca 0.05 0.24 -0.24 0.00 0.52 0.00 0.00 54.79 55.36 1xfr n ASP 105 Cb 0.58 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.59 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xfr s ASP 106 N -2.68 4.44 0.50 1.67 2.15 -1.26 -4.82 116.67 116.68 1xfr s ASP 106 Ca 0.08 0.16 0.35 0.00 0.43 0.00 0.00 52.55 53.57 1xfr s ASP 106 Cb 0.06 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.64 1xfr s ASP 106 CO 0.15 -3.24 1.69 0.11 -0.17 0.00 0.00 175.17 173.72 1xfr h LYS 107 N 14.23 0.08 0.37 4.34 6.56 -1.98 0.11 116.57 140.28 1xfr h LYS 107 Ca -0.06 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.50 1xfr h LYS 107 Cb 1.08 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1xfr h LYS 107 CO 1.11 0.05 -0.18 0.00 -2.06 0.00 0.00 179.45 178.38 1xfr h ILE 109 N -0.55 0.90 -0.03 0.00 1.08 -1.14 -1.87 117.51 115.90 1xfr h ILE 109 Ca -0.05 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1xfr h ILE 109 Cb 0.41 0.99 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 1xfr h ILE 109 CO 0.08 0.03 -0.45 -0.25 -0.69 0.00 0.00 178.15 176.88 1xfr h TRP 110 N -0.25 -1.29 -0.22 1.37 7.01 -1.06 -0.32 115.95 121.20 1xfr h TRP 110 Ca -0.02 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 1xfr h TRP 110 Cb 0.20 0.57 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 1xfr h TRP 110 CO -0.05 -0.51 -0.03 1.15 -2.79 0.00 0.00 178.44 176.21 1xfr h THR 111 N -0.58 1.16 0.27 2.65 2.02 -1.04 0.72 112.91 118.11 1xfr h THR 111 Ca 0.05 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1xfr h THR 111 Cb 0.67 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1xfr h THR 111 CO -0.35 0.21 -0.34 0.25 0.37 0.00 0.00 175.52 175.66 1xfr h LEU 112 N 0.32 -0.94 -0.83 2.58 5.85 -0.95 -1.25 115.31 120.08 1xfr h LEU 112 Ca 0.07 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xfr h LEU 112 Cb 0.27 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1xfr h LEU 112 CO 0.01 -0.46 0.44 1.23 -0.34 0.00 0.00 178.44 179.32 1xfr h GLY 113 N -0.66 1.25 0.97 3.75 0.00 0.67 -0.49 103.07 108.57 1xfr h GLY 113 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.75 1xfr h GLY 113 CO -0.10 0.56 0.17 -2.08 0.00 0.00 0.00 176.54 175.08 1xfr h VAL 114 N 1.16 1.05 -0.68 4.60 2.07 -0.92 -1.84 116.25 121.69 1xfr h VAL 114 Ca 0.29 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1xfr h VAL 114 Cb 0.06 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1xfr h VAL 114 CO -0.04 0.06 0.24 0.00 0.02 0.00 0.00 177.57 177.85 1xfr h ALA 115 N 1.11 0.89 -0.20 1.67 0.00 -0.43 -2.11 119.26 120.19 1xfr h ALA 115 Ca 0.10 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1xfr h ALA 115 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xfr h ALA 115 CO -0.03 0.54 -0.49 1.15 0.00 0.00 0.00 179.25 180.42 1xfr h THR 116 N 0.99 1.32 -0.33 0.00 2.02 -0.93 0.17 112.91 116.15 1xfr h THR 116 Ca 0.22 -1.70 -0.07 0.00 0.77 0.00 0.00 66.41 65.63 1xfr h THR 116 Cb 0.26 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1xfr h THR 116 CO -0.01 0.53 -0.08 0.00 0.37 0.00 0.00 175.52 176.33 1xfr h PHE 118 N 0.41 0.38 -0.86 0.00 3.57 -1.22 -3.07 116.94 116.16 1xfr h PHE 118 Ca 0.08 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1xfr h PHE 118 Cb 0.57 -0.11 -0.12 0.00 2.79 0.00 0.00 35.95 39.08 1xfr h PHE 118 CO 0.05 0.19 -0.56 -0.22 -2.23 0.00 0.00 178.31 175.54 1xfr h LYS 119 N 0.42 -0.09 -0.97 1.11 3.64 -0.59 -1.51 116.57 118.57 1xfr h LYS 119 Ca 0.19 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.72 1xfr h LYS 119 Cb 0.10 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1xfr h LYS 119 CO -0.14 -0.06 0.59 0.00 -2.27 0.00 0.00 179.45 177.57 1xfr h ALA 120 N 0.48 1.52 -0.71 5.00 0.00 -1.56 -0.67 119.26 123.32 1xfr h ALA 120 Ca 0.16 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xfr h ALA 120 Cb 0.47 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1xfr h ALA 120 CO -0.86 0.08 0.45 0.93 0.00 0.00 0.00 179.25 179.85 1xfr h GLU 121 N 0.85 0.87 -0.84 0.00 4.39 -1.36 -1.31 114.58 117.19 1xfr h GLU 121 Ca 0.52 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.14 1xfr h GLU 121 Cb 0.65 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1xfr h GLU 121 CO -0.32 0.58 0.44 0.82 -1.16 0.00 0.00 179.01 179.37 1xfr h ILE 122 N 0.90 1.25 -0.63 3.13 1.08 -0.99 0.11 117.51 122.35 1xfr h ILE 122 Ca 0.28 -0.65 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1xfr h ILE 122 Cb -0.02 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 1xfr h ILE 122 CO -0.09 0.29 0.33 0.45 -0.69 0.00 0.00 178.15 178.43 1xfr h HIS 123 N 1.18 0.89 -0.84 1.37 3.86 -1.19 -0.34 115.15 120.08 1xfr h HIS 123 Ca 0.29 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1xfr h HIS 123 Cb 0.06 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1xfr h HIS 123 CO 0.01 0.65 0.53 0.87 0.86 0.00 0.00 177.93 180.85 1xfr h LYS 124 N 0.87 1.12 0.00 2.45 1.57 -0.04 -1.03 116.57 121.50 1xfr h LYS 124 Ca 0.22 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xfr h LYS 124 Cb 0.08 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1xfr h LYS 124 CO -0.03 0.76 0.00 1.28 -0.57 0.00 0.00 179.45 180.89 1xfr n LEU 125 N -4.39 0.25 -0.64 2.94 4.77 0.26 -4.90 117.00 115.28 1xfr n LEU 125 Ca 0.09 0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1xfr n LEU 125 Cb 0.04 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1xfr n LEU 125 CO 0.37 -0.26 -0.08 -3.20 -1.33 0.00 0.00 177.39 172.89 1xfr n ASN 126 N -1.76 -3.97 -0.60 -1.43 5.15 -0.39 -4.94 115.26 107.32 1xfr n ASN 126 Ca 0.04 0.20 0.02 0.00 -0.60 0.00 0.00 54.58 54.24 1xfr n ASN 126 Cb 0.25 -2.23 0.08 0.00 -0.53 0.00 0.00 39.78 37.35 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1xfr n TRP 127 N -2.79 0.36 -0.18 1.20 7.02 -0.20 -4.97 117.44 117.87 1xfr n TRP 127 Ca -0.08 -0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 1xfr n TRP 127 Cb 0.28 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67