#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 0.45 -0.54 1.43 -0.00 -1.81 -2.54 115.11 112.11 1xfr h GLN 2 Ca 0.00 -0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1xfr h GLN 2 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.34 1xfr h GLN 2 CO 0.00 0.31 0.33 1.49 0.00 0.00 0.00 178.83 180.96 1xfr h GLU 3 N 0.47 0.64 0.00 1.69 4.81 -1.96 0.12 114.58 120.34 1xfr h GLU 3 Ca 0.13 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xfr h GLU 3 Cb -0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1xfr h GLU 3 CO -0.03 0.42 -0.00 0.28 -0.73 0.00 0.00 179.01 178.95 1xfr h VAL 4 N 0.66 1.08 -0.78 0.32 2.07 -1.87 0.57 116.25 118.29 1xfr h VAL 4 Ca 0.21 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1xfr h VAL 4 Cb 0.00 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1xfr h VAL 4 CO -0.09 0.06 0.45 -0.03 0.02 0.00 0.00 177.57 177.99 1xfr h MET 5 N -0.11 1.07 0.21 1.57 4.05 -0.93 0.17 114.93 120.96 1xfr h MET 5 Ca -0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1xfr h MET 5 Cb 0.11 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1xfr h MET 5 CO 0.00 0.77 -0.22 -0.22 0.23 0.00 0.00 176.91 177.47 1xfr h LYS 6 N 1.08 -0.45 -0.54 0.39 1.63 -0.66 -0.44 116.57 117.58 1xfr h LYS 6 Ca 0.28 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 60.20 1xfr h LYS 6 Cb -0.00 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 31.66 1xfr h LYS 6 CO -0.05 -0.30 0.14 -0.97 -3.45 0.00 0.00 179.45 174.83 1xfr h ASN 7 N -0.47 0.08 0.85 4.20 -1.24 0.57 0.20 115.58 119.76 1xfr h ASN 7 Ca -0.00 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 1xfr h ASN 7 Cb 0.44 0.10 0.01 0.00 0.73 0.00 0.00 38.32 39.60 1xfr h ASN 7 CO -0.05 0.06 -0.41 -0.07 -1.29 0.00 0.00 177.43 175.67 1xfr h LEU 8 N 0.29 -0.97 -2.12 0.34 -0.00 -0.67 -1.20 115.31 110.99 1xfr h LEU 8 Ca 0.27 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1xfr h LEU 8 Cb 0.36 0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1xfr h LEU 8 CO -0.32 -0.62 -0.02 -1.28 -0.00 0.00 0.00 178.44 176.20 1xfr h SER 9 N -1.28 0.00 0.25 -0.43 0.87 -0.84 0.18 113.55 112.29 1xfr h SER 9 Ca -0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1xfr h SER 9 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1xfr h SER 9 CO 0.19 0.02 -0.12 0.25 -0.53 0.00 0.00 176.83 176.64 1xfr h LEU 10 N 0.00 -0.29 -1.05 2.23 5.85 -0.53 -3.02 115.31 118.51 1xfr h LEU 10 Ca -0.00 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 1xfr h LEU 10 Cb 0.04 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1xfr h LEU 10 CO 0.00 0.18 -0.25 0.78 -0.34 0.00 0.00 178.44 178.81 1xfr h ASN 11 N -0.85 0.37 -0.85 1.25 2.35 -0.73 -1.73 115.58 115.39 1xfr h ASN 11 Ca -0.03 -0.12 0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1xfr h ASN 11 Cb 0.51 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.72 1xfr h ASN 11 CO 0.06 0.63 0.55 0.15 -1.65 0.00 0.00 177.43 177.16 1xfr h PHE 12 N 0.33 0.80 -0.23 1.19 3.57 -0.72 -1.92 116.94 119.96 1xfr h PHE 12 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1xfr h PHE 12 Cb 0.63 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1xfr h PHE 12 CO 0.02 0.34 0.00 0.41 -2.23 0.00 0.00 178.31 176.84 1xfr n GLY 13 N -1.44 0.90 0.22 2.40 0.00 -0.65 -4.45 105.19 102.17 1xfr n GLY 13 Ca 0.15 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 1.46 -0.46 -0.82 1.61 1.79 -1.36 -2.94 116.57 115.84 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 0.60 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1xfr h LYS 14 CO 0.07 -0.22 0.00 0.00 -1.08 0.00 0.00 179.45 178.22 1xfr n ALA 15 N -2.38 2.57 0.20 3.86 0.00 -1.26 -4.47 120.51 119.01 1xfr n ALA 15 Ca -0.10 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1xfr n ALA 15 Cb 0.25 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 0.24 -0.61 -1.30 0.00 5.85 -1.81 -0.94 115.31 116.74 1xfr h LEU 16 Ca 0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1xfr h LEU 16 Cb 0.50 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1xfr h LEU 16 CO 0.02 -0.36 -0.26 -0.78 -0.34 0.00 0.00 178.44 176.72 1xfr h ASP 17 N -0.55 0.14 0.32 1.25 3.58 -1.84 0.19 116.42 119.50 1xfr h ASP 17 Ca -0.02 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1xfr h ASP 17 Cb 0.48 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1xfr h ASP 17 CO -0.01 0.40 -0.25 -0.33 -2.88 0.00 0.00 179.24 176.17 1xfr h GLU 18 N 0.13 -0.53 -0.88 0.28 5.08 -1.83 -1.79 114.58 115.04 1xfr h GLU 18 Ca 0.02 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.59 1xfr h GLU 18 Cb 0.53 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1xfr h GLU 18 CO 0.04 -0.35 0.57 0.00 -1.00 0.00 0.00 179.01 178.27 1xfr h LYS 20 N 0.50 -0.42 -0.09 0.00 1.57 -0.53 -0.53 116.57 117.07 1xfr h LYS 20 Ca 0.45 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 59.13 1xfr h LYS 20 Cb 0.98 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1xfr h LYS 20 CO -0.19 -0.28 -0.51 0.87 -0.57 0.00 0.00 179.45 178.77 1xfr h LYS 21 N -0.43 0.25 -0.23 3.15 6.56 -0.31 0.59 116.57 126.15 1xfr h LYS 21 Ca -0.03 -0.15 -0.10 0.00 -1.06 0.00 0.00 60.65 59.31 1xfr h LYS 21 Cb 0.35 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 1xfr h LYS 21 CO 0.04 0.71 -0.30 0.93 -2.06 0.00 0.00 179.45 178.76 1xfr h GLU 22 N 0.20 0.47 -0.11 3.15 5.08 -0.69 -3.28 114.58 119.40 1xfr h GLU 22 Ca 0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1xfr h GLU 22 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xfr h GLU 22 CO 0.08 0.73 0.00 -1.33 -1.00 0.00 0.00 179.01 177.49 1xfr n MET 23 N -4.09 2.79 -3.71 2.33 2.81 -0.22 -5.02 117.12 112.00 1xfr n MET 23 Ca -0.01 -1.63 -0.27 0.00 -1.81 0.00 0.00 57.70 53.98 1xfr n MET 23 Cb 0.44 -1.09 0.01 0.00 -0.71 0.00 0.00 33.22 31.87 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 -0.15 -3.66 -3.19 2.03 -1.04 -0.27 -5.01 114.28 102.99 1xfr n THR 24 Ca 0.04 0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.88 1xfr n THR 24 Cb 0.30 -3.18 0.00 0.00 -1.82 0.00 0.00 70.33 65.63 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 -4.39 3.68 0.00 -4.42 1.43 0.04 -5.03 118.68 109.99 1xfr s LEU 25 Ca 0.09 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1xfr s LEU 25 Cb -0.01 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1xfr s LEU 25 CO 0.89 -0.67 0.09 0.35 0.23 0.00 0.00 176.35 177.23 1xfr n THR 26 N -1.76 0.00 0.86 5.49 -2.24 -1.26 -4.70 114.28 110.67 1xfr n THR 26 Ca 0.06 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1xfr n THR 26 Cb 0.59 -0.63 0.20 0.00 -2.10 0.00 0.00 70.33 68.39 1xfr n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xfr n ASP 27 N -2.35 0.57 0.03 3.42 9.92 -1.26 -4.31 116.55 122.58 1xfr n ASP 27 Ca 0.01 -0.20 -0.01 0.00 -0.53 0.00 0.00 54.79 54.06 1xfr n ASP 27 Cb 0.10 0.32 0.26 0.00 -0.64 0.00 0.00 41.12 41.16 1xfr n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xfr h ALA 28 N 2.85 1.24 -0.08 2.24 0.00 -2.02 -1.03 119.26 122.46 1xfr h ALA 28 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xfr h ALA 28 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xfr h ALA 28 CO 0.00 0.50 -0.04 -0.84 0.00 0.00 0.00 179.25 178.86 1xfr h ILE 29 N 0.39 1.09 -0.32 0.00 3.07 -1.96 -2.58 117.51 117.19 1xfr h ILE 29 Ca 0.07 -0.35 -0.02 0.00 1.55 0.00 0.00 64.86 66.10 1xfr h ILE 29 Cb 0.54 1.07 -0.02 0.00 -0.27 0.00 0.00 36.82 38.14 1xfr h ILE 29 CO 0.04 0.11 0.09 0.78 -1.05 0.00 0.00 178.15 178.12 1xfr h ASN 30 N 0.12 0.41 -0.29 2.16 2.35 -1.42 0.24 115.58 119.16 1xfr h ASN 30 Ca 0.03 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1xfr h ASN 30 Cb 0.16 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1xfr h ASN 30 CO 0.01 0.41 -0.12 -0.08 -1.65 0.00 0.00 177.43 175.99 1xfr h GLU 31 N 0.45 0.59 0.73 0.81 4.22 -1.49 0.15 114.58 120.04 1xfr h GLU 31 Ca 0.11 -0.25 -0.03 0.00 0.08 0.00 0.00 59.36 59.27 1xfr h GLU 31 Cb 0.15 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xfr h GLU 31 CO -0.01 0.82 -0.44 -0.44 -2.18 0.00 0.00 179.01 176.76 1xfr h ASP 32 N 0.34 -1.12 -0.50 1.04 3.32 -1.16 -1.41 116.42 116.93 1xfr h ASP 32 Ca 0.07 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1xfr h ASP 32 Cb 0.64 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1xfr h ASP 32 CO 0.04 -0.69 0.33 -0.26 -1.72 0.00 0.00 179.24 176.94 1xfr h PHE 33 N -1.10 0.50 -0.70 4.55 0.04 -1.01 0.13 116.94 119.34 1xfr h PHE 33 Ca -0.09 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.73 1xfr h PHE 33 Cb 0.89 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 1xfr h PHE 33 CO -0.10 0.28 0.43 -0.92 -0.60 0.00 0.00 178.31 177.40 1xfr h TYR 34 N 0.51 0.80 -0.14 -0.55 5.03 -0.34 -3.29 116.97 119.00 1xfr h TYR 34 Ca 0.21 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1xfr h TYR 34 Cb 0.18 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1xfr h TYR 34 CO -0.00 0.43 0.00 0.09 -1.32 0.00 0.00 178.16 177.36 1xfr n ASN 35 N -4.70 2.20 -0.31 -2.11 3.02 -0.47 -4.67 115.26 108.22 1xfr n ASN 35 Ca 0.08 -1.68 0.11 0.00 -0.03 0.00 0.00 54.58 53.06 1xfr n ASN 35 Cb 0.12 -0.09 0.29 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.55 0.75 -0.49 3.10 3.04 -0.88 -1.71 116.94 122.31 1xfr h PHE 36 Ca 0.00 0.04 -0.23 0.00 3.98 0.00 0.00 57.97 61.76 1xfr h PHE 36 Cb 0.51 -0.19 -0.14 0.00 2.56 0.00 0.00 35.95 38.69 1xfr h PHE 36 CO 0.09 0.06 0.29 0.91 -2.02 0.00 0.00 178.31 177.64 1xfr n TRP 37 N -4.95 1.52 -1.88 0.41 7.02 -1.26 -4.90 117.44 113.41 1xfr n TRP 37 Ca 0.21 -1.08 -0.29 0.00 -1.02 0.00 0.00 57.50 55.31 1xfr n TRP 37 Cb 0.58 -0.57 0.15 0.00 -2.42 0.00 0.00 31.31 29.05 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 -1.75 1.12 -0.43 -0.99 3.01 -0.65 -5.05 119.74 115.01 1xfr s LYS 38 Ca 0.29 -0.17 -0.19 0.00 -1.01 0.00 0.00 55.97 54.90 1xfr s LYS 38 Cb 0.24 -1.88 0.02 0.00 -1.01 0.00 0.00 37.83 35.21 1xfr s LYS 38 CO 0.06 -2.13 0.54 -2.00 0.51 0.00 0.00 175.35 172.33 1xfr s GLU 39 N -5.73 3.18 0.00 1.68 2.12 -1.26 -4.56 118.70 114.13 1xfr s GLU 39 Ca 0.69 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1xfr s GLU 39 Cb -0.07 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1xfr s GLU 39 CO 0.52 -0.93 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 1xfr n GLY 40 N 5.08 1.15 3.83 -1.50 0.00 -1.26 -5.08 105.19 107.41 1xfr n GLY 40 Ca -0.05 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 3.61 -0.05 1.61 6.14 -1.26 -5.10 117.35 120.30 1xfr s TYR 41 Ca 0.00 1.21 0.06 0.00 0.64 0.00 0.00 57.07 58.98 1xfr s TYR 41 Cb 0.00 -2.49 -0.01 0.00 0.42 0.00 0.00 41.96 39.88 1xfr s TYR 41 CO 0.00 0.37 -0.23 -2.00 0.64 0.00 0.00 175.55 174.32 1xfr s GLU 42 N -2.03 2.34 -0.45 4.97 2.56 -1.26 -5.04 118.70 119.79 1xfr s GLU 42 Ca 0.41 -0.84 -0.13 0.00 0.00 0.00 0.00 54.97 54.41 1xfr s GLU 42 Cb -0.15 -2.01 0.08 0.00 2.00 0.00 0.00 34.13 34.04 1xfr s GLU 42 CO 0.20 0.36 0.35 0.42 -0.56 0.00 0.00 175.26 176.03 1xfr s ILE 43 N -0.15 4.87 -0.20 -3.70 1.01 -1.26 -4.86 121.20 116.90 1xfr s ILE 43 Ca -0.03 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1xfr s ILE 43 Cb -0.13 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1xfr s ILE 43 CO 0.03 -0.55 0.22 0.29 0.00 0.00 0.00 174.94 174.92 1xfr n LYS 44 N 5.10 4.88 -1.53 2.79 5.02 -1.26 -5.01 118.16 128.16 1xfr n LYS 44 Ca -0.12 -0.12 -0.55 0.00 -2.02 0.00 0.00 58.31 55.51 1xfr n LYS 44 Cb 0.43 -0.72 -0.08 0.00 -0.02 0.00 0.00 35.03 34.64 1xfr n LYS 44 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xfr n ASN 45 N -0.87 2.04 0.24 4.39 2.85 -1.26 -4.86 115.26 117.79 1xfr n ASN 45 Ca 0.01 0.73 0.08 0.00 -0.11 0.00 0.00 54.58 55.28 1xfr n ASN 45 Cb 0.06 -1.16 0.58 0.00 1.24 0.00 0.00 39.78 40.50 1xfr n ASN 45 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1xfr h ARG 46 N 9.76 0.00 0.00 1.20 2.43 -1.96 -2.90 114.38 122.91 1xfr h ARG 46 Ca -0.33 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1xfr h ARG 46 Cb 1.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1xfr h ARG 46 CO 1.01 0.17 -0.47 0.93 -1.51 0.00 0.00 179.97 180.09 1xfr h GLU 47 N 0.00 0.00 -0.33 0.20 5.08 -1.94 -2.67 114.58 114.92 1xfr h GLU 47 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1xfr h GLU 47 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xfr h GLU 47 CO 0.02 0.47 -0.01 1.79 -1.00 0.00 0.00 179.01 180.29 1xfr h THR 48 N 0.00 1.26 -0.44 1.13 1.35 -1.90 0.20 112.91 114.52 1xfr h THR 48 Ca -0.00 -0.98 0.09 0.00 -0.55 0.00 0.00 66.41 64.97 1xfr h THR 48 Cb 0.95 1.23 -0.09 0.00 -1.73 0.00 0.00 68.15 68.51 1xfr h THR 48 CO 0.06 0.32 -0.22 1.23 -0.25 0.00 0.00 175.52 176.66 1xfr h GLY 49 N 0.40 0.07 1.93 5.82 0.00 -1.59 0.34 103.07 110.04 1xfr h GLY 49 Ca 0.09 0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.61 1xfr h GLY 49 CO 0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 176.54 175.93 1xfr h ALA 51 N 1.50 -0.30 -0.56 0.00 0.00 0.39 -0.99 119.26 119.31 1xfr h ALA 51 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xfr h ALA 51 Cb 0.78 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1xfr h ALA 51 CO 0.06 -0.66 0.23 0.82 0.00 0.00 0.00 179.25 179.70 1xfr h ILE 52 N -0.32 0.85 0.07 0.00 2.04 -0.85 -0.18 117.51 119.11 1xfr h ILE 52 Ca -0.03 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1xfr h ILE 52 Cb 0.25 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1xfr h ILE 52 CO 0.05 0.08 -0.08 -0.03 0.00 0.00 0.00 178.15 178.17 1xfr h MET 53 N 0.44 -0.17 0.23 2.37 4.05 -1.01 -0.30 114.93 120.54 1xfr h MET 53 Ca 0.27 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1xfr h MET 53 Cb 0.27 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1xfr h MET 53 CO -0.24 -0.11 -0.21 0.00 0.23 0.00 0.00 176.91 176.57 1xfr h LEU 55 N -0.47 0.29 -0.03 0.00 3.38 -0.85 0.03 115.31 117.66 1xfr h LEU 55 Ca -0.01 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xfr h LEU 55 Cb 0.43 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1xfr h LEU 55 CO -0.04 0.17 -0.40 0.28 0.09 0.00 0.00 178.44 178.54 1xfr h SER 56 N 0.46 -1.21 -0.26 -0.43 0.02 -0.90 -0.60 113.55 110.62 1xfr h SER 56 Ca 0.32 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.48 1xfr h SER 56 Cb 0.37 0.48 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 1xfr h SER 56 CO -0.29 -0.44 -0.29 0.74 -1.14 0.00 0.00 176.83 175.41 1xfr h THR 57 N -0.54 0.30 0.00 -2.27 2.02 -0.88 0.20 112.91 111.75 1xfr h THR 57 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1xfr h THR 57 Cb 0.63 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1xfr h THR 57 CO -0.32 0.00 -0.04 0.11 0.37 0.00 0.00 175.52 175.64 1xfr h LYS 58 N -0.29 0.00 -0.00 6.66 1.57 -0.29 0.67 116.57 124.88 1xfr h LYS 58 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xfr h LYS 58 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xfr h LYS 58 CO -0.43 0.04 -0.04 1.28 -0.57 0.00 0.00 179.45 179.73 1xfr n LEU 59 N -3.30 0.42 -0.69 2.94 4.77 -0.30 -4.89 117.00 115.95 1xfr n LEU 59 Ca -0.02 -0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1xfr n LEU 59 Cb 0.18 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1xfr n LEU 59 CO 0.25 0.07 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.10 1xfr n ASN 60 N -0.81 -3.77 -3.11 -1.43 5.15 0.23 -4.99 115.26 106.53 1xfr n ASN 60 Ca 0.19 0.16 -0.40 0.00 -0.60 0.00 0.00 54.58 53.92 1xfr n ASN 60 Cb 0.22 -2.21 0.03 0.00 -0.53 0.00 0.00 39.78 37.29 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1xfr n MET 61 N -2.56 3.46 -3.79 1.20 2.81 0.69 -4.78 117.12 114.14 1xfr n MET 61 Ca -0.09 -3.82 -0.13 0.00 -1.81 0.00 0.00 57.70 51.86 1xfr n MET 61 Cb 0.33 -2.32 -0.11 0.00 -0.71 0.00 0.00 33.22 30.41 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 -4.15 1.06 1.09 4.03 1.43 -1.25 -4.01 118.68 116.88 1xfr s LEU 62 Ca 0.49 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 1xfr s LEU 62 Cb 0.37 0.90 0.24 0.00 0.03 0.00 0.00 46.19 47.73 1xfr s LEU 62 CO -0.34 -0.15 1.06 -1.81 0.23 0.00 0.00 176.35 175.33 1xfr s ASP 63 N -0.17 1.62 0.00 2.29 1.01 0.40 -4.78 116.67 117.04 1xfr s ASP 63 Ca -0.03 1.63 0.00 0.00 0.71 0.00 0.00 52.55 54.86 1xfr s ASP 63 Cb -0.03 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1xfr s ASP 63 CO 0.01 -3.82 0.66 -0.81 0.21 0.00 0.00 175.17 171.42 1xfr n PRO 64 N -4.67 0.70 0.00 8.23 -0.04 -1.26 -2.14 135.00 135.82 1xfr n PRO 64 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1xfr n PRO 64 Cb 0.54 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.43 0.55 -0.31 0.54 1.02 -1.26 -5.04 120.64 115.72 1xfr n GLU 65 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1xfr n GLU 65 Cb 0.02 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfr n GLY 66 N 0.14 0.68 3.83 0.62 0.00 -0.91 -5.07 105.19 104.48 1xfr n GLY 66 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xfr n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfr s ASN 67 N -2.90 3.75 0.80 1.61 0.01 -1.26 -4.82 114.94 112.14 1xfr s ASN 67 Ca 0.00 0.84 -0.15 0.00 -0.71 0.00 0.00 52.86 52.84 1xfr s ASN 67 Cb 0.00 -1.33 0.01 0.00 0.41 0.00 0.00 41.25 40.34 1xfr s ASN 67 CO 0.00 -2.39 0.65 -0.11 -1.51 0.00 0.00 177.10 173.75 1xfr n LEU 68 N -3.64 1.41 -4.17 0.60 7.94 -1.26 -0.45 117.00 117.43 1xfr n LEU 68 Ca 0.08 0.52 -0.36 0.00 -1.11 0.00 0.00 56.01 55.14 1xfr n LEU 68 Cb 0.60 -1.28 -0.13 0.00 0.53 0.00 0.00 43.42 43.14 1xfr n LEU 68 CO 0.56 -2.91 -0.27 -2.28 -1.11 0.00 0.00 177.39 171.37 1xfr s HIS 69 N -2.08 3.39 0.15 1.96 5.65 -1.26 -4.27 115.29 118.83 1xfr s HIS 69 Ca 0.65 -2.02 -0.26 0.00 0.25 0.00 0.00 55.06 53.68 1xfr s HIS 69 Cb -0.30 -2.56 -0.00 0.00 -1.18 0.00 0.00 32.58 28.54 1xfr s HIS 69 CO 0.59 -0.86 1.60 0.45 -0.65 0.00 0.00 174.74 175.87 1xfr h HIS 70 N 8.05 -1.00 -0.60 3.88 -0.00 -1.99 -1.37 115.15 122.11 1xfr h HIS 70 Ca -0.18 0.05 0.09 0.00 -0.00 0.00 0.00 60.37 60.33 1xfr h HIS 70 Cb 1.06 0.48 -0.11 0.00 -0.00 0.00 0.00 27.41 28.83 1xfr h HIS 70 CO 0.59 -0.41 -0.42 0.78 -0.00 0.00 0.00 177.93 178.46 1xfr h GLY 71 N -0.36 -0.38 1.36 2.45 0.00 -1.98 0.12 103.07 104.27 1xfr h GLY 71 Ca 0.12 0.54 -0.15 0.00 0.00 0.00 0.00 47.33 47.84 1xfr h GLY 71 CO -0.45 -0.17 -0.45 3.43 0.00 0.00 0.00 176.54 178.90 1xfr h ASN 72 N -0.20 0.75 -0.25 0.19 4.21 -1.81 -0.69 115.58 117.78 1xfr h ASN 72 Ca 0.20 -0.36 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1xfr h ASN 72 Cb 0.56 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1xfr h ASN 72 CO -0.70 1.09 0.15 0.00 -1.29 0.00 0.00 177.43 176.68 1xfr h ALA 73 N 0.94 0.32 -0.57 -0.83 0.00 -0.58 0.13 119.26 118.67 1xfr h ALA 73 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xfr h ALA 73 Cb 1.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xfr h ALA 73 CO 0.09 -0.18 0.26 1.98 0.00 0.00 0.00 179.25 181.40 1xfr h MET 74 N 0.32 0.83 0.54 0.00 1.85 -0.74 -1.95 114.93 115.77 1xfr h MET 74 Ca 0.09 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 1xfr h MET 74 Cb 0.01 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 1xfr h MET 74 CO -0.02 0.69 -0.40 0.93 -0.40 0.00 0.00 176.91 177.71 1xfr h GLU 75 N 0.77 -0.88 -0.83 0.39 4.39 -0.92 -2.01 114.58 115.49 1xfr h GLU 75 Ca 0.19 0.06 0.19 0.00 0.34 0.00 0.00 59.36 60.14 1xfr h GLU 75 Cb 0.14 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 28.88 1xfr h GLU 75 CO -0.02 -0.59 0.31 0.35 -1.16 0.00 0.00 179.01 177.90 1xfr h PHE 76 N -0.92 0.52 0.75 4.33 3.57 -0.56 0.28 116.94 124.91 1xfr h PHE 76 Ca -0.06 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1xfr h PHE 76 Cb 0.77 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.42 1xfr h PHE 76 CO -0.16 -0.03 -0.36 0.00 -2.23 0.00 0.00 178.31 175.53 1xfr h ALA 77 N 1.65 -1.01 0.00 2.41 0.00 -1.25 -3.04 119.26 118.01 1xfr h ALA 77 Ca 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xfr h ALA 77 Cb 0.87 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xfr h ALA 77 CO -0.50 -0.94 0.00 0.87 0.00 0.00 0.00 179.25 178.68 1xfr h LYS 78 N -1.26 0.00 -0.04 0.00 6.56 -0.68 -0.86 116.57 120.30 1xfr h LYS 78 Ca -0.10 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.37 1xfr h LYS 78 Cb 0.78 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.42 1xfr h LYS 78 CO 0.17 0.00 -0.53 -0.22 -2.06 0.00 0.00 179.45 176.81 1xfr h LYS 79 N 0.00 0.10 -0.41 3.15 3.64 -0.43 -3.33 116.57 119.29 1xfr h LYS 79 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xfr h LYS 79 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1xfr h LYS 79 CO 0.00 0.60 0.00 0.72 -2.27 0.00 0.00 179.45 178.50 1xfr n HIS 80 N -3.92 0.81 -0.13 1.91 8.25 -0.37 -4.97 115.22 116.80 1xfr n HIS 80 Ca -0.02 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1xfr n HIS 80 Cb 0.55 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 0.47 0.93 3.71 -1.41 0.00 -1.16 -4.81 105.19 102.92 1xfr n GLY 81 Ca 0.18 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.24 0.88 4.61 0.00 -0.93 -4.92 121.76 122.64 1xfr s ALA 82 Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1xfr s ALA 82 Cb 0.00 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.84 1xfr s ALA 82 CO 0.00 -0.31 0.95 -0.40 0.00 0.00 0.00 175.76 176.00 1xfr n ASP 83 N 3.98 -0.12 0.09 0.00 5.75 -1.26 -4.29 116.55 120.70 1xfr n ASP 83 Ca 0.07 0.46 -0.12 0.00 -0.01 0.00 0.00 54.79 55.19 1xfr n ASP 83 Cb 0.50 -1.41 -0.05 0.00 -1.03 0.00 0.00 41.12 39.13 1xfr n ASP 83 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xfr h GLU 84 N -1.43 -0.40 -0.58 0.11 4.22 -1.98 0.97 114.58 115.49 1xfr h GLU 84 Ca -0.44 0.03 -0.09 0.00 0.08 0.00 0.00 59.36 58.93 1xfr h GLU 84 Cb 1.29 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1xfr h GLU 84 CO 0.41 -0.26 -0.00 1.15 -2.18 0.00 0.00 179.01 178.13 1xfr h THR 85 N -0.41 1.26 0.20 0.32 2.02 -1.98 -0.04 112.91 114.28 1xfr h THR 85 Ca 0.04 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1xfr h THR 85 Cb 0.45 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1xfr h THR 85 CO -0.16 0.40 -0.10 -0.03 0.37 0.00 0.00 175.52 176.01 1xfr h MET 86 N 0.92 -0.26 -0.39 6.66 1.85 -1.84 0.92 114.93 122.78 1xfr h MET 86 Ca 0.17 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1xfr h MET 86 Cb 0.53 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.60 1xfr h MET 86 CO 0.03 -0.17 0.18 0.00 -0.40 0.00 0.00 176.91 176.55 1xfr h ALA 87 N 0.53 1.59 -0.14 0.39 0.00 -0.55 0.14 119.26 121.23 1xfr h ALA 87 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xfr h ALA 87 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xfr h ALA 87 CO 0.04 0.33 0.02 0.37 0.00 0.00 0.00 179.25 180.02 1xfr h GLN 88 N 0.55 0.24 -0.57 0.00 5.75 -0.59 -2.72 115.11 117.75 1xfr h GLN 88 Ca 0.14 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1xfr h GLN 88 Cb 0.07 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1xfr h GLN 88 CO -0.02 0.43 0.36 1.96 -2.65 0.00 0.00 178.83 178.90 1xfr h GLN 89 N 0.02 0.69 0.00 1.69 1.08 -0.26 0.40 115.11 118.72 1xfr h GLN 89 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xfr h GLN 89 Cb 0.30 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1xfr h GLN 89 CO 0.00 0.46 0.00 1.28 -0.95 0.00 0.00 178.83 179.62 1xfr n LEU 90 N -4.74 0.18 -0.13 1.46 4.77 0.45 -1.44 117.00 117.56 1xfr n LEU 90 Ca 0.05 0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 56.34 1xfr n LEU 90 Cb 0.06 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 1xfr n LEU 90 CO 0.33 -0.55 -1.38 -0.38 -1.33 0.00 0.00 177.39 174.09 1xfr n ILE 91 N -1.73 1.44 0.19 -0.08 5.41 -0.50 -4.23 119.36 119.85 1xfr n ILE 91 Ca 0.01 -0.42 0.05 0.00 1.00 0.00 0.00 62.75 63.39 1xfr n ILE 91 Cb 0.06 -1.72 0.48 0.00 -0.71 0.00 0.00 39.64 37.75 1xfr n ILE 91 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1xfr h ASP 92 N -0.67 0.08 0.00 4.38 3.58 0.41 0.57 116.42 124.76 1xfr h ASP 92 Ca -0.64 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 56.75 1xfr h ASP 92 Cb 1.66 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.70 1xfr h ASP 92 CO -0.31 0.23 -0.22 0.40 -2.88 0.00 0.00 179.24 176.45 1xfr h ILE 93 N 0.08 1.56 0.69 2.25 2.04 -1.50 -2.09 117.51 120.55 1xfr h ILE 93 Ca 0.02 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 63.89 1xfr h ILE 93 Cb 0.30 2.81 0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1xfr h ILE 93 CO 0.02 0.53 -0.33 0.58 0.00 0.00 0.00 178.15 178.95 1xfr h VAL 94 N -0.55 0.00 -0.48 1.67 2.07 -1.37 -1.39 116.25 116.19 1xfr h VAL 94 Ca -0.03 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1xfr h VAL 94 Cb 0.99 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1xfr h VAL 94 CO 0.04 0.00 0.15 -0.74 0.02 0.00 0.00 177.57 177.04 1xfr h HIS 95 N -0.94 0.26 -0.03 1.57 -0.00 -0.10 -0.20 115.15 115.70 1xfr h HIS 95 Ca -0.10 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1xfr h HIS 95 Cb 0.72 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1xfr h HIS 95 CO 0.07 0.07 0.06 0.78 -0.00 0.00 0.00 177.93 178.91 1xfr h GLY 96 N 0.31 0.00 0.46 5.26 0.00 -1.27 -0.74 103.07 107.09 1xfr h GLY 96 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 1xfr h GLY 96 CO -0.26 0.00 -1.80 0.00 0.00 0.00 0.00 176.54 174.48 1xfr h GLU 98 N 0.00 0.00 0.00 0.00 5.08 0.50 -0.99 114.58 119.17 1xfr h GLU 98 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xfr h GLU 98 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1xfr h GLU 98 CO 0.03 0.00 -1.00 0.36 -1.00 0.00 0.00 179.01 177.40 1xfr n LYS 99 N -4.20 1.82 0.06 2.33 0.00 -1.26 -4.75 118.16 112.16 1xfr n LYS 99 Ca 0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.44 1xfr n LYS 99 Cb 1.12 -1.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.17 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 0.41 -2.72 -5.58 0.02 -1.65 -3.43 113.55 100.60 1xfr h SER 100 Ca 0.00 -0.28 -0.55 0.00 -0.84 0.00 0.00 61.79 60.11 1xfr h SER 100 Cb 1.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1xfr h SER 100 CO 0.00 1.03 1.00 -0.89 -1.14 0.00 0.00 176.83 176.83 1xfr s THR 101 N -3.52 3.72 0.40 -2.27 2.01 -0.39 -4.99 115.64 110.60 1xfr s THR 101 Ca -0.05 0.93 -0.24 0.00 0.31 0.00 0.00 61.69 62.64 1xfr s THR 101 Cb 0.10 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1xfr s THR 101 CO 0.83 -0.06 1.07 -2.16 -0.69 0.00 0.00 174.62 173.61 1xfr s PRO 102 N 3.58 4.13 0.15 4.92 0.04 -1.26 -4.94 135.00 141.62 1xfr s PRO 102 Ca 0.68 1.55 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1xfr s PRO 102 Cb -0.31 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1xfr s PRO 102 CO 0.26 -0.18 0.13 0.00 0.04 0.00 0.00 177.00 177.25 1xfr n ALA 103 N -0.08 0.30 -3.85 8.56 0.00 -1.26 -4.85 120.51 119.33 1xfr n ALA 103 Ca 0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 1xfr n ALA 103 Cb 0.49 0.70 -0.01 0.00 0.00 0.00 0.00 19.45 20.63 1xfr n ALA 103 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xfr n ASN 104 N -2.39 2.00 0.12 0.00 0.23 -1.26 -5.01 115.26 108.95 1xfr n ASN 104 Ca 0.03 -1.87 0.08 0.00 -0.53 0.00 0.00 54.58 52.29 1xfr n ASN 104 Cb 0.27 0.03 0.43 0.00 -2.08 0.00 0.00 39.78 38.43 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1xfr n ASP 105 N -1.71 0.41 -4.55 0.53 -0.08 -1.26 -4.41 116.55 105.48 1xfr n ASP 105 Ca -0.03 0.68 -0.31 0.00 -1.51 0.00 0.00 54.79 53.61 1xfr n ASP 105 Cb 0.28 -0.72 -0.04 0.00 2.34 0.00 0.00 41.12 42.97 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xfr s ASP 106 N -3.73 4.84 0.44 1.67 -1.08 -1.26 -4.85 116.67 112.70 1xfr s ASP 106 Ca -0.02 0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.50 1xfr s ASP 106 Cb 0.05 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.32 1xfr s ASP 106 CO 0.14 -2.81 1.68 0.11 0.52 0.00 0.00 175.17 174.82 1xfr h LYS 107 N 14.78 0.17 -0.15 4.34 1.79 -1.99 -0.26 116.57 135.23 1xfr h LYS 107 Ca -0.13 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1xfr h LYS 107 Cb 1.12 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 1xfr h LYS 107 CO 1.17 0.11 0.08 0.00 -1.08 0.00 0.00 179.45 179.73 1xfr h ILE 109 N 0.14 1.21 -0.03 0.00 1.08 -1.38 -0.33 117.51 118.21 1xfr h ILE 109 Ca 0.05 -0.70 0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1xfr h ILE 109 Cb 0.09 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1xfr h ILE 109 CO -0.01 0.24 -0.17 -0.25 -0.69 0.00 0.00 178.15 177.28 1xfr h TRP 110 N 0.43 -0.50 0.00 1.37 7.01 -1.19 -2.28 115.95 120.79 1xfr h TRP 110 Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1xfr h TRP 110 Cb 0.26 0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1xfr h TRP 110 CO 0.01 -0.17 -0.04 1.15 -2.79 0.00 0.00 178.44 176.59 1xfr h THR 111 N -0.19 0.94 -0.11 2.65 2.02 -1.15 -0.69 112.91 116.37 1xfr h THR 111 Ca 0.01 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1xfr h THR 111 Cb 0.21 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1xfr h THR 111 CO -0.13 0.04 -0.38 0.25 0.37 0.00 0.00 175.52 175.68 1xfr h LEU 112 N 0.00 -1.17 -0.45 2.58 6.46 -0.76 -0.93 115.31 121.04 1xfr h LEU 112 Ca -0.00 0.16 -0.16 0.00 -0.12 0.00 0.00 57.88 57.76 1xfr h LEU 112 Cb 0.08 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1xfr h LEU 112 CO 0.01 -0.40 -0.47 1.23 -0.62 0.00 0.00 178.44 178.18 1xfr h GLY 113 N -0.46 0.84 2.00 3.75 0.00 -0.61 -0.96 103.07 107.62 1xfr h GLY 113 Ca 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1xfr h GLY 113 CO -0.37 0.82 -0.06 -2.08 0.00 0.00 0.00 176.54 174.85 1xfr h VAL 114 N 0.61 0.41 0.02 4.60 2.07 -1.05 -1.89 116.25 121.02 1xfr h VAL 114 Ca 0.03 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1xfr h VAL 114 Cb 1.04 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1xfr h VAL 114 CO 0.10 0.06 -0.10 0.00 0.02 0.00 0.00 177.57 177.66 1xfr h ALA 115 N 1.94 -0.01 -0.83 1.67 0.00 -0.75 -3.30 119.26 117.97 1xfr h ALA 115 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1xfr h ALA 115 Cb 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1xfr h ALA 115 CO 0.01 0.03 0.54 1.15 0.00 0.00 0.00 179.25 180.99 1xfr h THR 116 N -0.89 1.14 0.82 0.00 2.02 -0.41 0.22 112.91 115.80 1xfr h THR 116 Ca -0.02 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1xfr h THR 116 Cb 1.05 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1xfr h THR 116 CO 0.02 0.19 -0.39 0.00 0.37 0.00 0.00 175.52 175.70 1xfr h PHE 118 N -1.14 0.13 -0.46 0.00 3.04 -1.42 -0.70 116.94 116.39 1xfr h PHE 118 Ca -0.11 0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.95 1xfr h PHE 118 Cb 0.84 0.04 -0.09 0.00 2.56 0.00 0.00 35.95 39.30 1xfr h PHE 118 CO 0.03 -0.10 -0.47 -0.22 -2.02 0.00 0.00 178.31 175.53 1xfr h LYS 119 N 0.21 -0.31 -0.21 1.11 3.64 -0.66 0.23 116.57 120.58 1xfr h LYS 119 Ca 0.35 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1xfr h LYS 119 Cb 0.58 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1xfr h LYS 119 CO -0.49 -0.21 0.06 0.00 -2.27 0.00 0.00 179.45 176.55 1xfr h ALA 120 N 0.32 1.73 -0.44 5.00 0.00 -0.96 -2.01 119.26 122.91 1xfr h ALA 120 Ca 0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xfr h ALA 120 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xfr h ALA 120 CO -0.61 0.21 -0.17 0.93 0.00 0.00 0.00 179.25 179.61 1xfr h GLU 121 N 0.29 0.89 -0.57 0.00 4.39 -0.63 -1.72 114.58 117.23 1xfr h GLU 121 Ca 0.07 -0.37 0.06 0.00 0.34 0.00 0.00 59.36 59.46 1xfr h GLU 121 Cb 0.09 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1xfr h GLU 121 CO -0.01 1.02 0.27 0.82 -1.16 0.00 0.00 179.01 179.96 1xfr h ILE 122 N 0.72 0.90 0.00 3.13 1.08 -0.28 0.17 117.51 123.24 1xfr h ILE 122 Ca 0.10 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 1xfr h ILE 122 Cb 0.73 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1xfr h ILE 122 CO 0.06 0.09 -0.17 0.45 -0.69 0.00 0.00 178.15 177.89 1xfr h HIS 123 N 0.51 0.00 -0.32 1.37 3.86 -1.37 -1.19 115.15 118.01 1xfr h HIS 123 Ca 0.26 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.30 1xfr h HIS 123 Cb 0.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1xfr h HIS 123 CO -0.12 0.17 -0.46 1.57 0.86 0.00 0.00 177.93 179.96 1xfr h LYS 124 N 0.00 0.87 0.00 2.45 2.10 -0.13 -3.22 116.57 118.65 1xfr h LYS 124 Ca -0.00 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1xfr h LYS 124 Cb 0.34 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1xfr h LYS 124 CO 0.02 1.15 0.00 1.28 -2.00 0.00 0.00 179.45 179.91 1xfr n LEU 125 N -4.07 0.00 -1.89 7.07 4.77 0.42 -4.86 117.00 118.45 1xfr n LEU 125 Ca -0.04 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.99 1xfr n LEU 125 Cb 0.58 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1xfr n LEU 125 CO 0.49 -0.06 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.08 1xfr n ASN 126 N -1.24 -5.31 -1.26 -1.43 5.15 -0.94 -4.89 115.26 105.35 1xfr n ASN 126 Ca 0.12 0.30 -0.05 0.00 -0.60 0.00 0.00 54.58 54.36 1xfr n ASN 126 Cb 0.17 -4.60 0.07 0.00 -0.53 0.00 0.00 39.78 34.89 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 -2.91 0.86 -0.20 1.20 7.02 -0.78 -4.54 117.44 118.09 1xfr n TRP 127 Ca -0.21 -0.73 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 1xfr n TRP 127 Cb 0.65 -0.40 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67