#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4m n GLN 8 N 0.00 0.00 -1.57 0.54 0.00 -1.26 -4.29 117.38 110.80 1m4m n GLN 8 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.59 1m4m n GLN 8 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1m4m n GLN 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1m4m n ILE 9 N 0.00 3.62 0.00 -0.39 -0.00 -1.26 -3.84 119.36 117.49 1m4m n ILE 9 Ca 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 62.75 59.95 1m4m n ILE 9 Cb 0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 39.64 37.05 1m4m n ILE 9 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.55 173.88 1m4m n TRP 10 N 5.40 0.00 0.57 4.28 2.14 -1.26 -4.96 117.44 123.61 1m4m n TRP 10 Ca 0.59 0.00 0.10 0.00 2.07 0.00 0.00 57.50 60.27 1m4m n TRP 10 Cb 0.34 0.00 0.43 0.00 -0.81 0.00 0.00 31.31 31.27 1m4m n TRP 10 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1m4m n GLN 11 N 0.00 0.09 0.00 -2.67 10.64 -1.25 -2.58 117.38 121.61 1m4m n GLN 11 Ca 0.00 0.26 0.06 0.00 -1.83 0.00 0.00 57.00 55.48 1m4m n GLN 11 Cb 0.00 -1.65 0.28 0.00 -0.86 0.00 0.00 30.24 28.01 1m4m n GLN 11 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1m4m n LEU 12 N -1.82 0.00 0.08 2.61 4.77 -1.26 -0.01 117.00 121.37 1m4m n LEU 12 Ca 0.04 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 1m4m n LEU 12 Cb 0.25 -0.39 0.47 0.00 -2.33 0.00 0.00 43.42 41.42 1m4m n LEU 12 CO 0.20 -0.23 0.90 -1.22 -1.33 0.00 0.00 177.39 175.70 1m4m n TYR 13 N -1.39 0.63 -3.69 -1.77 4.01 -1.07 -4.68 117.16 109.20 1m4m n TYR 13 Ca 0.04 0.19 -0.37 0.00 -0.16 0.00 0.00 57.90 57.61 1m4m n TYR 13 Cb 0.12 -0.81 -0.11 0.00 -0.31 0.00 0.00 39.34 38.22 1m4m n TYR 13 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1m4m s LEU 14 N -4.05 3.81 0.01 7.72 1.43 0.99 -4.85 118.68 123.74 1m4m s LEU 14 Ca 0.11 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1m4m s LEU 14 Cb 0.14 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 1m4m s LEU 14 CO 0.54 -0.01 0.99 0.29 0.23 0.00 0.00 176.35 178.39 1m4m n LYS 15 N 4.79 -0.03 -0.27 1.70 5.02 -1.26 -0.94 118.16 127.17 1m4m n LYS 15 Ca -0.15 0.99 0.27 0.00 -2.02 0.00 0.00 58.31 57.40 1m4m n LYS 15 Cb 0.52 -1.48 0.49 0.00 -0.02 0.00 0.00 35.03 34.54 1m4m n LYS 15 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1m4m n ASN 16 N -3.10 0.29 -0.02 4.39 3.02 -1.26 0.18 115.26 118.75 1m4m n ASN 16 Ca 0.00 1.37 -0.14 0.00 -0.03 0.00 0.00 54.58 55.78 1m4m n ASN 16 Cb 0.02 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1m4m n ASN 16 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1m4m h TYR 17 N 0.00 0.93 -0.28 3.10 0.05 -1.26 -1.93 116.97 117.56 1m4m h TYR 17 Ca 0.71 -0.37 -0.07 0.00 0.05 0.00 0.00 58.73 59.05 1m4m h TYR 17 Cb 1.90 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 39.47 1m4m h TYR 17 CO -0.01 1.17 -0.09 0.00 -1.05 0.00 0.00 178.16 178.18 1m4m h ARG 18 N 0.52 0.56 -0.73 4.88 3.08 0.21 -2.74 114.38 120.17 1m4m h ARG 18 Ca -0.02 -0.22 0.14 0.00 0.07 0.00 0.00 59.98 59.95 1m4m h ARG 18 Cb 1.25 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 1m4m h ARG 18 CO 0.13 0.78 0.25 0.82 -1.07 0.00 0.00 179.97 180.88 1m4m h ILE 19 N 0.32 0.63 -0.96 2.04 2.04 -0.28 -0.06 117.51 121.24 1m4m h ILE 19 Ca 0.07 -0.13 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1m4m h ILE 19 Cb 0.58 0.21 -0.11 0.00 -0.74 0.00 0.00 36.82 36.77 1m4m h ILE 19 CO 0.03 0.07 0.55 0.00 0.00 0.00 0.00 178.15 178.80 1m4m h ALA 20 N 1.55 1.55 -0.07 1.87 0.00 -1.04 -0.95 119.26 122.18 1m4m h ALA 20 Ca 0.40 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.42 1m4m h ALA 20 Cb 0.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1m4m h ALA 20 CO -0.42 -0.08 0.43 1.15 0.00 0.00 0.00 179.25 180.33 1m4m h THR 21 N 0.70 0.05 -3.30 0.00 2.02 -0.93 -3.40 112.91 108.05 1m4m h THR 21 Ca 0.55 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 67.14 1m4m h THR 21 Cb 0.85 0.59 -0.09 0.00 -1.74 0.00 0.00 68.15 67.76 1m4m h THR 21 CO -0.39 0.00 0.43 -0.36 0.37 0.00 0.00 175.52 175.57 1m4m s PHE 22 N -4.16 3.33 -0.28 3.16 0.40 -0.36 -4.17 117.98 115.89 1m4m s PHE 22 Ca -0.03 1.12 -0.12 0.00 -0.60 0.00 0.00 56.93 57.31 1m4m s PHE 22 Cb 0.09 -3.02 0.11 0.00 0.51 0.00 0.00 43.02 40.71 1m4m s PHE 22 CO 0.29 -0.36 0.64 0.21 0.70 0.00 0.00 175.22 176.69 1m4m s LYS 23 N 2.69 0.59 0.00 0.44 2.20 -1.26 -4.81 119.74 119.59 1m4m s LYS 23 Ca 0.35 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1m4m s LYS 23 Cb -0.15 0.60 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1m4m s LYS 23 CO 0.08 -0.19 0.00 0.09 -0.36 0.00 0.00 175.35 174.97 1m4m n ASN 24 N 5.08 -2.34 -4.64 1.43 3.02 -1.26 -4.99 115.26 111.57 1m4m n ASN 24 Ca -0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 1m4m n ASN 24 Cb 0.52 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1m4m n ASN 24 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1m4m s TRP 25 N -2.15 2.28 0.43 3.10 -0.11 -1.26 -4.99 118.94 116.25 1m4m s TRP 25 Ca 0.00 0.60 -0.07 0.00 1.22 0.00 0.00 56.10 57.85 1m4m s TRP 25 Cb 0.00 -3.88 0.11 0.00 -1.50 0.00 0.00 33.47 28.20 1m4m s TRP 25 CO 0.00 -2.74 0.31 -0.35 -4.62 0.00 0.00 176.95 169.55 1m4m n PRO 26 N 7.34 -2.31 -2.74 5.86 -0.04 -1.26 -4.55 135.00 137.30 1m4m n PRO 26 Ca 0.17 -0.51 -0.03 0.00 -0.04 0.00 0.00 63.50 63.09 1m4m n PRO 26 Cb 0.45 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1m4m n PRO 26 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1m4m n PHE 27 N -3.58 -2.74 -3.39 0.54 0.99 -1.26 -4.90 117.46 103.12 1m4m n PHE 27 Ca 0.05 1.08 -0.45 0.00 -0.00 0.00 0.00 57.45 58.13 1m4m n PHE 27 Cb 0.19 -3.72 -0.05 0.00 -1.00 0.00 0.00 39.48 34.90 1m4m n PHE 27 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1m4m s LEU 28 N -3.06 6.16 0.11 4.37 1.43 -1.26 -4.52 118.68 121.90 1m4m s LEU 28 Ca 0.10 -2.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.13 1m4m s LEU 28 Cb -0.03 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1m4m s LEU 28 CO 0.64 -0.74 0.00 -0.62 0.23 0.00 0.00 176.35 175.87 1m4m n GLU 29 N 4.81 -0.85 -3.11 1.70 4.71 -1.26 -5.01 120.64 121.63 1m4m n GLU 29 Ca -0.05 0.64 -0.16 0.00 -0.01 0.00 0.00 57.16 57.58 1m4m n GLU 29 Cb 0.42 -0.75 0.02 0.00 -1.01 0.00 0.00 31.44 30.11 1m4m n GLU 29 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1m4m n ASP 30 N -1.26 -6.90 0.00 1.62 8.00 -1.26 -5.03 116.55 111.72 1m4m n ASP 30 Ca 0.00 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1m4m n ASP 30 Cb 0.03 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 1m4m n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m4m n ALA 32 N -0.33 0.98 -2.00 0.00 0.00 -0.98 -3.09 120.51 115.10 1m4m n ALA 32 Ca 0.00 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 1m4m n ALA 32 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.26 1m4m n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m4m s THR 34 N -5.12 4.38 0.60 0.00 -4.23 -1.18 -4.80 115.64 105.29 1m4m s THR 34 Ca 0.53 1.16 0.29 0.00 -1.18 0.00 0.00 61.69 62.49 1m4m s THR 34 Cb 0.44 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.99 1m4m s THR 34 CO -0.23 -0.63 1.95 -0.65 -0.54 0.00 0.00 174.62 174.52 1m4m h PRO 35 N 0.88 0.00 0.01 3.99 0.11 -1.91 0.19 132.00 135.27 1m4m h PRO 35 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1m4m h PRO 35 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1m4m h PRO 35 CO 0.61 0.00 -0.96 1.05 -0.21 0.00 0.00 178.00 178.48 1m4m h GLU 36 N 0.00 0.41 -0.09 1.05 -0.00 -1.95 -1.81 114.58 112.19 1m4m h GLU 36 Ca 0.15 -0.46 -0.22 0.00 -0.00 0.00 0.00 59.36 58.83 1m4m h GLU 36 Cb 0.94 0.13 0.01 0.00 -0.00 0.00 0.00 28.75 29.83 1m4m h GLU 36 CO -0.00 1.12 -0.84 0.00 -0.00 0.00 0.00 179.01 179.29 1m4m h ARG 37 N 0.23 0.63 0.58 1.06 3.08 -1.03 -1.41 114.38 117.52 1m4m h ARG 37 Ca -0.09 -0.57 -0.03 0.00 0.07 0.00 0.00 59.98 59.37 1m4m h ARG 37 Cb 1.61 0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.80 1m4m h ARG 37 CO 0.17 1.18 -0.28 0.52 -1.07 0.00 0.00 179.97 180.49 1m4m h MET 38 N 0.41 -0.74 -0.81 0.04 2.86 -1.01 -1.69 114.93 113.99 1m4m h MET 38 Ca -0.07 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 57.86 1m4m h MET 38 Cb 1.46 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.26 1m4m h MET 38 CO 0.16 -0.50 0.58 0.00 1.06 0.00 0.00 176.91 178.21 1m4m h ALA 39 N -1.60 2.75 -0.61 6.32 0.00 -1.41 0.83 119.26 125.54 1m4m h ALA 39 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1m4m h ALA 39 Cb 0.59 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1m4m h ALA 39 CO 0.13 -0.98 0.23 1.49 0.00 0.00 0.00 179.25 180.12 1m4m h GLU 40 N 0.01 0.90 0.00 0.00 4.22 -0.78 -1.69 114.58 117.23 1m4m h GLU 40 Ca 0.38 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.68 1m4m h GLU 40 Cb 1.53 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1m4m h GLU 40 CO -0.01 0.74 0.00 0.00 -2.18 0.00 0.00 179.01 177.56 1m4m n ALA 41 N -2.45 2.14 0.00 2.92 0.00 0.29 -4.88 120.51 118.52 1m4m n ALA 41 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1m4m n ALA 41 Cb 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1m4m n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m4m n GLY 42 N 0.91 1.20 3.93 0.00 0.00 -0.64 -4.93 105.19 105.67 1m4m n GLY 42 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1m4m n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m4m s PHE 43 N -2.00 3.48 0.29 1.61 0.40 -1.19 -0.70 117.98 119.87 1m4m s PHE 43 Ca 0.00 0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.73 1m4m s PHE 43 Cb 0.00 -1.83 -0.06 0.00 0.51 0.00 0.00 43.02 41.64 1m4m s PHE 43 CO 0.00 0.36 -0.12 0.96 0.70 0.00 0.00 175.22 177.12 1m4m s ILE 44 N -1.91 2.05 -0.29 0.64 -4.36 0.47 -4.01 121.20 113.78 1m4m s ILE 44 Ca 0.38 -2.24 -0.09 0.00 -0.26 0.00 0.00 60.65 58.44 1m4m s ILE 44 Cb -0.11 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1m4m s ILE 44 CO 0.30 -0.35 0.13 -2.28 0.24 0.00 0.00 174.94 172.98 1m4m s HIS 45 N -2.76 3.16 -0.41 1.37 5.65 -1.26 -2.15 115.29 118.88 1m4m s HIS 45 Ca 0.29 -0.46 0.05 0.00 0.25 0.00 0.00 55.06 55.20 1m4m s HIS 45 Cb 0.00 -2.32 0.20 0.00 -1.18 0.00 0.00 32.58 29.28 1m4m s HIS 45 CO 0.13 -0.40 0.40 0.00 -0.65 0.00 0.00 174.74 174.23 1m4m s PRO 47 N -0.39 0.60 0.33 0.00 0.04 -1.25 -4.57 135.00 129.76 1m4m s PRO 47 Ca 0.34 0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 1m4m s PRO 47 Cb 0.08 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.85 1m4m s PRO 47 CO -0.17 -2.54 0.59 0.95 0.04 0.00 0.00 177.00 175.87 1m4m s THR 48 N -3.26 0.00 0.14 1.26 -4.23 0.12 -4.93 115.64 104.74 1m4m s THR 48 Ca 0.66 -1.32 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 1m4m s THR 48 Cb -0.13 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 1m4m s THR 48 CO 0.54 0.00 1.57 -0.33 -0.54 0.00 0.00 174.62 175.86 1m4m h GLU 49 N 2.10 -0.40 0.00 3.99 4.39 -1.99 -2.22 114.58 120.46 1m4m h GLU 49 Ca -0.28 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1m4m h GLU 49 Cb 1.25 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1m4m h GLU 49 CO 0.37 -0.26 -0.48 -0.91 -1.16 0.00 0.00 179.01 176.57 1m4m h ASN 50 N -0.41 0.00 -2.45 1.42 2.35 -2.03 -3.39 115.58 111.06 1m4m h ASN 50 Ca 0.10 -0.03 -0.62 0.00 -0.55 0.00 0.00 56.30 55.20 1m4m h ASN 50 Cb 0.61 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.57 1m4m h ASN 50 CO -0.53 0.01 -0.49 -0.62 -1.65 0.00 0.00 177.43 174.15 1m4m n GLU 51 N -2.73 2.52 -0.13 0.81 -0.58 -0.85 -4.92 120.64 114.76 1m4m n GLU 51 Ca 0.02 -4.63 -0.07 0.00 -0.42 0.00 0.00 57.16 52.06 1m4m n GLU 51 Cb 0.52 -2.29 0.01 0.00 -0.57 0.00 0.00 31.44 29.11 1m4m n GLU 51 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1m4m h PRO 52 N 4.55 0.45 -0.80 3.49 0.11 -1.74 0.34 132.00 138.41 1m4m h PRO 52 Ca 0.19 -0.03 -0.34 0.00 0.11 0.00 0.00 66.00 65.93 1m4m h PRO 52 Cb 0.68 -0.10 -0.20 0.00 0.11 0.00 0.00 31.00 31.49 1m4m h PRO 52 CO 0.85 0.30 0.39 -0.40 -0.21 0.00 0.00 178.00 178.93 1m4m n ASP 53 N -4.87 4.09 -4.63 -2.05 3.85 -1.26 -4.40 116.55 107.28 1m4m n ASP 53 Ca 0.01 -3.45 -0.43 0.00 -0.71 0.00 0.00 54.79 50.22 1m4m n ASP 53 Cb 0.07 -0.77 -0.02 0.00 -1.35 0.00 0.00 41.12 39.04 1m4m n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1m4m s LEU 54 N -3.15 3.95 0.17 -2.12 1.98 -1.18 -4.65 118.68 113.69 1m4m s LEU 54 Ca 0.54 1.62 0.09 0.00 -2.89 0.00 0.00 54.13 53.49 1m4m s LEU 54 Cb 0.45 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.73 1m4m s LEU 54 CO 0.11 -1.17 -0.09 0.00 -1.89 0.00 0.00 176.35 173.31 1m4m s ALA 55 N 4.85 2.95 -0.01 5.97 0.00 -0.99 -1.19 121.76 133.35 1m4m s ALA 55 Ca 0.68 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1m4m s ALA 55 Cb -0.24 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1m4m s ALA 55 CO 0.27 0.49 0.06 -1.14 0.00 0.00 0.00 175.76 175.44 1m4m s GLN 56 N -2.75 0.21 -0.17 0.00 0.74 -0.92 -1.44 119.66 115.34 1m4m s GLN 56 Ca 0.24 -0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.20 1m4m s GLN 56 Cb -0.09 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 1m4m s GLN 56 CO 0.15 -0.04 1.15 0.00 -0.55 0.00 0.00 175.29 176.00 1m4m h PHE 58 N 7.72 0.00 0.01 0.00 -5.15 -1.25 0.28 116.94 118.55 1m4m h PHE 58 Ca -0.25 0.00 -0.37 0.00 -0.20 0.00 0.00 57.97 57.15 1m4m h PHE 58 Cb 1.10 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.21 1m4m h PHE 58 CO 0.76 0.00 -2.06 0.34 -2.00 0.00 0.00 178.31 175.35 1m4m n PHE 59 N -3.11 0.46 0.06 6.09 7.35 -1.26 -4.61 117.46 122.43 1m4m n PHE 59 Ca -0.02 0.17 -0.02 0.00 -0.76 0.00 0.00 57.45 56.82 1m4m n PHE 59 Cb 0.20 -1.05 -0.07 0.00 0.35 0.00 0.00 39.48 38.91 1m4m n PHE 59 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1m4m n PHE 61 N -3.10 0.00 -2.71 0.00 0.99 0.96 -4.95 117.46 108.64 1m4m n PHE 61 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.97 1m4m n PHE 61 Cb 0.87 -0.81 -0.03 0.00 -1.00 0.00 0.00 39.48 38.51 1m4m n PHE 61 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1m4m s LYS 62 N -0.71 4.36 0.31 -1.08 1.02 -1.26 -4.72 119.74 117.66 1m4m s LYS 62 Ca 0.00 1.33 -0.20 0.00 0.02 0.00 0.00 55.97 57.11 1m4m s LYS 62 Cb 0.00 -3.57 -0.09 0.00 -0.52 0.00 0.00 37.83 33.65 1m4m s LYS 62 CO 0.00 -0.40 0.82 -1.21 -0.92 0.00 0.00 175.35 173.64 1m4m s GLU 63 N 2.33 4.27 -0.14 1.68 2.02 -1.26 -3.14 118.70 124.45 1m4m s GLU 63 Ca 0.46 0.97 -0.12 0.00 0.02 0.00 0.00 54.97 56.30 1m4m s GLU 63 Cb -0.17 -2.63 0.04 0.00 0.10 0.00 0.00 34.13 31.46 1m4m s GLU 63 CO 0.14 0.24 0.37 -1.17 0.02 0.00 0.00 175.26 174.86 1m4m s LEU 64 N -2.44 0.54 0.27 1.80 2.96 -0.52 -5.01 118.68 116.28 1m4m s LEU 64 Ca 0.51 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 1m4m s LEU 64 Cb -0.14 1.26 -0.05 0.00 0.50 0.00 0.00 46.19 47.76 1m4m s LEU 64 CO 0.19 -0.13 0.10 -1.83 -1.32 0.00 0.00 176.35 173.36 1m4m s GLU 65 N 0.30 1.46 0.00 1.98 1.03 -1.26 -2.36 118.70 119.85 1m4m s GLU 65 Ca -0.01 -1.80 0.00 0.00 0.03 0.00 0.00 54.97 53.19 1m4m s GLU 65 Cb -0.03 -0.30 0.00 0.00 -0.80 0.00 0.00 34.13 32.99 1m4m s GLU 65 CO -0.01 -0.31 0.00 0.41 -1.33 0.00 0.00 175.26 174.03 1m4m n GLY 66 N -0.51 0.50 3.88 -3.83 0.00 -1.26 -5.08 105.19 98.89 1m4m n GLY 66 Ca -0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1m4m n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1m4m s TRP 67 N -2.57 3.51 -0.01 1.61 0.52 -1.26 -5.10 118.94 115.63 1m4m s TRP 67 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 56.10 57.11 1m4m s TRP 67 Cb 0.00 -2.42 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 1m4m s TRP 67 CO 0.00 -0.20 0.01 -1.83 0.02 0.00 0.00 176.95 174.95 1m4m s GLU 68 N -4.22 0.02 0.05 4.98 -1.05 -1.26 -5.05 118.70 112.16 1m4m s GLU 68 Ca 0.50 0.08 -0.00 0.00 -0.15 0.00 0.00 54.97 55.40 1m4m s GLU 68 Cb -0.10 -0.15 0.11 0.00 -0.44 0.00 0.00 34.13 33.55 1m4m s GLU 68 CO 0.37 -0.07 0.25 -0.35 0.95 0.00 0.00 175.26 176.41 1m4m n PRO 69 N 3.59 -0.01 -2.65 -4.83 -0.04 -1.26 -0.04 135.00 129.76 1m4m n PRO 69 Ca -0.20 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1m4m n PRO 69 Cb 0.55 -0.38 0.02 0.00 -0.04 0.00 0.00 33.50 33.65 1m4m n PRO 69 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1m4m n ASP 70 N -4.01 7.11 -4.20 3.54 10.43 -1.26 -1.97 116.55 126.19 1m4m n ASP 70 Ca 0.04 -3.69 -0.31 0.00 2.57 0.00 0.00 54.79 53.39 1m4m n ASP 70 Cb 0.11 -1.11 -0.17 0.00 1.84 0.00 0.00 41.12 41.79 1m4m n ASP 70 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1m4m s ASP 71 N -1.53 2.89 -0.59 -2.24 1.01 0.95 -4.92 116.67 112.23 1m4m s ASP 71 Ca 0.40 -0.51 -0.20 0.00 0.71 0.00 0.00 52.55 52.95 1m4m s ASP 71 Cb 0.20 -1.17 0.08 0.00 1.01 0.00 0.00 42.92 43.04 1m4m s ASP 71 CO -0.14 0.16 0.78 0.21 0.21 0.00 0.00 175.17 176.40 1m4m s ASN 72 N 0.24 6.20 0.49 0.27 3.84 -1.26 -3.16 114.94 121.56 1m4m s ASN 72 Ca -0.14 -1.11 0.37 0.00 0.21 0.00 0.00 52.86 52.19 1m4m s ASN 72 Cb -0.16 -2.34 1.52 0.00 -0.55 0.00 0.00 41.25 39.71 1m4m s ASN 72 CO 0.07 -1.17 1.66 -0.65 -2.79 0.00 0.00 177.10 174.21 1m4m h PRO 73 N 9.27 0.07 -0.26 0.43 0.11 -1.88 -1.13 132.00 138.60 1m4m h PRO 73 Ca -0.29 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 1m4m h PRO 73 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1m4m h PRO 73 CO 1.10 0.04 -0.53 0.97 -0.21 0.00 0.00 178.00 179.37 1m4m h ILE 74 N 0.07 1.29 -0.40 4.15 6.09 -1.91 -1.60 117.51 125.19 1m4m h ILE 74 Ca 0.78 -1.72 -0.12 0.00 -1.37 0.00 0.00 64.86 62.43 1m4m h ILE 74 Cb 2.78 1.71 -0.01 0.00 0.47 0.00 0.00 36.82 41.77 1m4m h ILE 74 CO -0.20 0.55 -0.22 -0.33 -3.07 0.00 0.00 178.15 174.89 1m4m h GLU 75 N 0.58 0.86 -0.41 2.19 5.08 -1.62 0.98 114.58 122.23 1m4m h GLU 75 Ca 0.01 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1m4m h GLU 75 Cb 1.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1m4m h GLU 75 CO 0.12 1.03 -0.11 1.49 -1.00 0.00 0.00 179.01 180.54 1m4m h GLU 76 N 0.67 0.72 -0.06 2.33 4.57 -1.55 0.57 114.58 121.84 1m4m h GLU 76 Ca 0.09 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1m4m h GLU 76 Cb 0.79 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1m4m h GLU 76 CO 0.06 0.81 -0.01 1.25 -1.18 0.00 0.00 179.01 179.95 1m4m h HIS 77 N 0.66 0.12 -0.56 0.92 2.76 -0.91 -0.58 115.15 117.56 1m4m h HIS 77 Ca 0.11 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1m4m h HIS 77 Cb 0.57 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.45 1m4m h HIS 77 CO 0.03 0.41 0.26 -0.09 -1.30 0.00 0.00 177.93 177.24 1m4m h ARG 78 N -0.21 0.48 0.58 5.26 9.65 0.14 -2.23 114.38 128.05 1m4m h ARG 78 Ca 0.02 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1m4m h ARG 78 Cb 0.36 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1m4m h ARG 78 CO 0.00 0.32 -0.28 -0.22 2.80 0.00 0.00 179.97 182.59 1m4m h LYS 79 N 0.49 -0.75 -0.77 0.20 3.64 0.34 -2.32 116.57 117.40 1m4m h LYS 79 Ca 0.26 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1m4m h LYS 79 Cb 0.21 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1m4m h LYS 79 CO -0.20 -0.44 0.00 0.72 -2.27 0.00 0.00 179.45 177.25 1m4m n HIS 80 N -5.35 0.36 -2.68 1.91 8.25 -0.24 -4.00 115.22 113.48 1m4m n HIS 80 Ca -0.12 -0.13 -0.05 0.00 -0.26 0.00 0.00 57.72 57.16 1m4m n HIS 80 Cb 0.34 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.35 1m4m n HIS 80 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1m4m n SER 81 N 0.08 -1.46 -0.11 0.41 2.88 -0.85 -5.03 113.62 109.55 1m4m n SER 81 Ca 0.05 -2.03 0.26 0.00 -1.33 0.00 0.00 58.87 55.82 1m4m n SER 81 Cb 0.37 1.07 0.63 0.00 -0.75 0.00 0.00 64.21 65.53 1m4m n SER 81 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1m4m h PRO 82 N 1.61 0.00 -0.97 -1.46 0.13 -1.55 -2.24 132.00 127.52 1m4m h PRO 82 Ca -0.44 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 1m4m h PRO 82 Cb 1.25 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 1m4m h PRO 82 CO -0.13 0.00 0.67 0.41 -0.23 0.00 0.00 178.00 178.72 1m4m n GLY 83 N -1.63 4.91 3.62 1.56 0.00 -1.26 -4.94 105.19 107.46 1m4m n GLY 83 Ca 0.17 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1m4m n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m4m h ALA 85 N 8.18 1.76 -0.82 0.00 0.00 -1.92 -0.73 119.26 125.73 1m4m h ALA 85 Ca -0.22 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1m4m h ALA 85 Cb 1.08 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1m4m h ALA 85 CO 0.96 0.20 0.53 0.35 0.00 0.00 0.00 179.25 181.30 1m4m h PHE 86 N 0.51 0.71 0.00 0.00 3.57 -1.96 -0.86 116.94 118.91 1m4m h PHE 86 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1m4m h PHE 86 Cb 0.02 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1m4m h PHE 86 CO -0.00 0.29 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.28 1m4m h LEU 87 N 0.62 0.00 -0.07 0.59 3.38 -1.51 -3.28 115.31 115.04 1m4m h LEU 87 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1m4m h LEU 87 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1m4m h LEU 87 CO -0.16 0.01 -0.13 0.71 0.09 0.00 0.00 178.44 178.96 1m4m h THR 88 N 0.00 1.40 -0.26 0.22 1.35 -1.15 -3.41 112.91 111.06 1m4m h THR 88 Ca -0.00 -1.41 -0.06 0.00 -0.55 0.00 0.00 66.41 64.39 1m4m h THR 88 Cb 0.69 2.16 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 1m4m h THR 88 CO 0.00 0.40 0.36 1.33 -0.25 0.00 0.00 175.52 177.36 1m4m n VAL 89 N -4.62 0.00 -0.89 6.82 0.24 -1.23 -4.77 118.33 113.87 1m4m n VAL 89 Ca -0.08 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.34 61.53 1m4m n VAL 89 Cb 0.37 -1.63 -0.05 0.00 -1.47 0.00 0.00 33.84 31.05 1m4m n VAL 89 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1m4m n LYS 90 N 8.15 2.33 -3.64 7.34 5.02 -1.26 -4.60 118.16 131.50 1m4m n LYS 90 Ca 0.49 -1.44 -0.04 0.00 -2.02 0.00 0.00 58.31 55.31 1m4m n LYS 90 Cb 0.38 -2.37 -0.07 0.00 -0.02 0.00 0.00 35.03 32.96 1m4m n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1m4m s LYS 91 N 2.52 0.47 0.26 1.97 2.20 -1.26 -5.14 119.74 120.76 1m4m s LYS 91 Ca 0.50 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.61 1m4m s LYS 91 Cb 0.16 0.10 -0.11 0.00 -1.51 0.00 0.00 37.83 36.47 1m4m s LYS 91 CO -0.03 -0.10 1.58 1.14 -0.36 0.00 0.00 175.35 177.59 1m4m s GLN 92 N 1.36 4.16 0.27 4.03 0.00 -1.26 -4.84 119.66 123.37 1m4m s GLN 92 Ca -0.09 2.52 0.17 0.00 -0.00 0.00 0.00 55.36 57.96 1m4m s GLN 92 Cb -0.04 -3.06 0.97 0.00 0.00 0.00 0.00 33.01 30.88 1m4m s GLN 92 CO -0.16 -0.61 1.09 -1.33 0.00 0.00 0.00 175.29 174.28 1m4m n MET 93 N 2.61 -0.04 0.23 9.60 2.81 -1.26 0.19 117.12 131.27 1m4m n MET 93 Ca 0.09 0.93 0.16 0.00 -1.81 0.00 0.00 57.70 57.07 1m4m n MET 93 Cb 0.38 -1.72 0.84 0.00 -0.71 0.00 0.00 33.22 32.01 1m4m n MET 93 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1m4m h GLU 94 N 0.00 0.00 -0.02 0.03 4.39 -1.91 -0.45 114.58 116.62 1m4m h GLU 94 Ca 0.60 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.30 1m4m h GLU 94 Cb 1.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1m4m h GLU 94 CO -0.47 0.00 -0.11 0.39 -1.16 0.00 0.00 179.01 177.66 1m4m n GLU 95 N -2.60 1.76 -2.95 2.33 1.02 0.50 -4.96 120.64 115.74 1m4m n GLU 95 Ca -0.02 -1.51 -0.40 0.00 -0.02 0.00 0.00 57.16 55.21 1m4m n GLU 95 Cb 0.06 -1.40 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1m4m n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1m4m s LEU 96 N -1.89 4.53 1.06 -4.62 1.43 -0.18 -5.01 118.68 114.01 1m4m s LEU 96 Ca 0.22 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.79 1m4m s LEU 96 Cb 0.17 -3.31 0.23 0.00 0.03 0.00 0.00 46.19 43.31 1m4m s LEU 96 CO 0.33 0.11 1.07 0.28 0.23 0.00 0.00 176.35 178.36 1m4m s THR 97 N -0.61 2.09 -0.39 5.49 -1.32 -1.26 -4.75 115.64 114.89 1m4m s THR 97 Ca 0.38 0.03 0.27 0.00 -1.21 0.00 0.00 61.69 61.16 1m4m s THR 97 Cb -0.22 -2.32 0.31 0.00 -1.51 0.00 0.00 72.50 68.75 1m4m s THR 97 CO 0.25 -0.04 1.78 0.58 -2.21 0.00 0.00 174.62 174.99 1m4m h VAL 98 N -2.19 0.00 0.50 5.08 2.07 -1.98 -0.60 116.25 119.12 1m4m h VAL 98 Ca -0.57 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1m4m h VAL 98 Cb 1.33 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1m4m h VAL 98 CO 0.54 0.00 -0.24 -1.28 0.02 0.00 0.00 177.57 176.61 1m4m h SER 99 N 0.00 -0.56 -0.48 0.57 0.87 -2.00 -2.39 113.55 109.55 1m4m h SER 99 Ca 0.00 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1m4m h SER 99 Cb 0.59 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1m4m h SER 99 CO 0.00 -0.15 0.23 -0.33 -0.53 0.00 0.00 176.83 176.05 1m4m h GLU 100 N -1.12 0.74 -0.56 2.24 5.08 -1.85 -1.53 114.58 117.57 1m4m h GLU 100 Ca -0.07 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1m4m h GLU 100 Cb 0.56 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1m4m h GLU 100 CO 0.11 0.59 0.03 0.35 -1.00 0.00 0.00 179.01 179.09 1m4m h PHE 101 N 0.74 1.00 -0.01 4.33 3.04 -1.15 0.11 116.94 125.01 1m4m h PHE 101 Ca 0.18 -0.15 -0.17 0.00 3.98 0.00 0.00 57.97 61.81 1m4m h PHE 101 Cb 0.11 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 1m4m h PHE 101 CO 0.01 0.89 -0.78 -0.07 -2.02 0.00 0.00 178.31 176.33 1m4m h LEU 102 N 0.87 0.13 0.26 0.59 3.38 -1.08 -0.09 115.31 119.37 1m4m h LEU 102 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1m4m h LEU 102 Cb 0.47 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1m4m h LEU 102 CO 0.02 0.86 -0.12 0.50 0.09 0.00 0.00 178.44 179.78 1m4m h LYS 103 N 0.06 -0.33 -0.95 1.13 1.63 -0.94 -2.94 116.57 114.23 1m4m h LYS 103 Ca -0.02 0.02 0.29 0.00 -0.85 0.00 0.00 60.65 60.09 1m4m h LYS 103 Cb 1.37 0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.92 1m4m h LYS 103 CO 0.11 -0.22 0.32 -0.07 -3.45 0.00 0.00 179.45 176.14 1m4m h LEU 104 N -0.37 0.08 0.00 5.20 3.38 -0.79 0.20 115.31 123.01 1m4m h LEU 104 Ca -0.04 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1m4m h LEU 104 Cb 0.26 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1m4m h LEU 104 CO 0.06 -0.23 0.00 -0.67 0.09 0.00 0.00 178.44 177.68 1m4m n ASP 105 N -5.24 0.00 0.04 -0.43 4.64 -0.05 -2.03 116.55 113.48 1m4m n ASP 105 Ca 0.27 0.44 -0.20 0.00 -1.38 0.00 0.00 54.79 53.92 1m4m n ASP 105 Cb 0.86 -0.48 -0.10 0.00 -1.04 0.00 0.00 41.12 40.36 1m4m n ASP 105 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 1m4m h ARG 106 N 0.00 0.70 0.00 -0.67 2.43 -0.42 -3.02 114.38 113.41 1m4m h ARG 106 Ca 0.00 -0.75 -0.00 0.00 -0.81 0.00 0.00 59.98 58.42 1m4m h ARG 106 Cb 0.33 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1m4m h ARG 106 CO 0.00 1.32 -0.00 0.37 -1.51 0.00 0.00 179.97 180.15 1m4m h GLN 107 N 0.40 -0.00 -0.39 0.20 4.15 -1.42 -2.35 115.11 115.70 1m4m h GLN 107 Ca -0.13 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.36 1m4m h GLN 107 Cb 1.68 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 29.28 1m4m h GLN 107 CO 0.20 0.28 -0.43 -0.09 -1.93 0.00 0.00 178.83 176.86 1m4m h ARG 108 N -0.29 -0.32 -0.65 1.69 2.43 -1.51 0.36 114.38 116.09 1m4m h ARG 108 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1m4m h ARG 108 Cb 0.29 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1m4m h ARG 108 CO 0.00 -0.22 0.43 0.00 -1.51 0.00 0.00 179.97 178.67 1m4m h ALA 109 N 0.40 1.75 -0.17 2.80 0.00 -1.51 0.14 119.26 122.67 1m4m h ALA 109 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1m4m h ALA 109 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1m4m h ALA 109 CO -0.56 0.15 -0.31 -0.22 0.00 0.00 0.00 179.25 178.31 1m4m h LYS 110 N 0.67 0.34 -0.11 0.00 3.64 -0.17 -2.40 116.57 118.54 1m4m h LYS 110 Ca 0.28 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1m4m h LYS 110 Cb 0.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1m4m h LYS 110 CO -0.08 0.62 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.55 1m4m h ASN 111 N 0.30 0.42 -0.50 4.20 2.35 0.16 -2.58 115.58 119.93 1m4m h ASN 111 Ca 0.04 -0.57 0.09 0.00 -0.55 0.00 0.00 56.30 55.31 1m4m h ASN 111 Cb 0.70 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 38.84 1m4m h ASN 111 CO 0.05 0.91 -0.34 0.50 -1.65 0.00 0.00 177.43 176.91 1m4m h LYS 112 N -0.06 -0.20 -0.67 0.81 3.64 -0.47 0.40 116.57 120.02 1m4m h LYS 112 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1m4m h LYS 112 Cb 0.85 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1m4m h LYS 112 CO 0.06 -0.13 0.40 -0.84 -2.27 0.00 0.00 179.45 176.66 1m4m h ILE 113 N -0.21 1.02 0.00 2.00 3.07 -1.46 0.14 117.51 122.07 1m4m h ILE 113 Ca 0.20 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1m4m h ILE 113 Cb 0.55 0.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.30 1m4m h ILE 113 CO -0.62 0.14 0.00 0.00 -1.05 0.00 0.00 178.15 176.62 1m4m n ALA 114 N -2.33 1.24 -0.01 0.16 0.00 -0.02 -0.51 120.51 119.03 1m4m n ALA 114 Ca 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1m4m n ALA 114 Cb 0.14 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 1m4m n ALA 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1m4m h LYS 115 N 0.00 0.00 0.00 0.00 1.63 0.79 -3.15 116.57 115.85 1m4m h LYS 115 Ca 0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 1m4m h LYS 115 Cb 0.10 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1m4m h LYS 115 CO 0.00 0.55 -0.82 0.93 -3.45 0.00 0.00 179.45 176.66 1m4m h GLU 116 N 0.00 0.00 -0.02 1.90 3.07 -0.78 -2.18 114.58 116.56 1m4m h GLU 116 Ca -0.24 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1m4m h GLU 116 Cb 1.96 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.87 1m4m h GLU 116 CO 0.08 0.41 0.03 1.15 -1.40 0.00 0.00 179.01 179.28 1m4m h THR 117 N 0.00 0.49 0.00 1.13 2.02 -0.85 -3.52 112.91 112.18 1m4m h THR 117 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1m4m h THR 117 Cb 1.44 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1m4m h THR 117 CO 0.06 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.54