#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1enk s ARG 3 N 0.00 0.08 -0.16 -2.82 3.52 -1.26 -4.87 118.95 113.44 1enk s ARG 3 Ca 0.00 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1enk s ARG 3 Cb 0.00 -0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.24 1enk s ARG 3 CO 0.00 -0.14 -0.13 0.42 -0.81 0.00 0.00 175.30 174.65 1enk s ILE 4 N 0.93 2.89 0.13 4.11 1.09 -1.26 -4.73 121.20 124.36 1enk s ILE 4 Ca -0.07 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 58.81 1enk s ILE 4 Cb -0.10 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 39.03 1enk s ILE 4 CO -0.04 0.50 0.23 0.20 -0.10 0.00 0.00 174.94 175.73 1enk s ASN 5 N 0.85 6.15 -0.09 3.58 0.02 -1.26 -5.04 114.94 119.14 1enk s ASN 5 Ca -0.04 0.13 0.13 0.00 -1.02 0.00 0.00 52.86 52.06 1enk s ASN 5 Cb -0.15 -1.81 0.22 0.00 0.02 0.00 0.00 41.25 39.53 1enk s ASN 5 CO -0.00 0.09 1.12 0.18 0.02 0.00 0.00 177.10 178.51 1enk n LEU 6 N -0.25 2.34 -4.88 0.60 4.77 -1.26 -5.04 117.00 113.28 1enk n LEU 6 Ca -0.07 -2.75 -0.30 0.00 -0.03 0.00 0.00 56.01 52.87 1enk n LEU 6 Cb 0.53 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1enk n LEU 6 CO 0.48 0.65 0.58 -0.89 -1.33 0.00 0.00 177.39 176.88 1enk s THR 7 N -2.29 4.77 0.14 -5.08 2.01 -1.26 -4.85 115.64 109.08 1enk s THR 7 Ca 0.23 0.63 -0.31 0.00 0.31 0.00 0.00 61.69 62.56 1enk s THR 7 Cb 0.20 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 1enk s THR 7 CO 0.03 -0.91 1.41 -0.22 -0.69 0.00 0.00 174.62 174.24 1enk s LEU 8 N -4.73 4.38 0.36 4.42 1.98 -1.26 -4.92 118.68 118.91 1enk s LEU 8 Ca 0.52 2.40 0.27 0.00 -2.89 0.00 0.00 54.13 54.43 1enk s LEU 8 Cb -0.11 -3.59 1.20 0.00 0.66 0.00 0.00 46.19 44.36 1enk s LEU 8 CO 0.45 -0.67 1.80 -0.37 -1.89 0.00 0.00 176.35 175.68 1enk h VAL 9 N 4.13 0.00 0.00 1.68 -1.51 -1.95 -2.58 116.25 116.01 1enk h VAL 9 Ca -0.43 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1enk h VAL 9 Cb 1.21 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1enk h VAL 9 CO 0.86 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.66 1enk n SER 10 N -2.47 0.00 -0.40 4.19 3.41 -1.26 -2.93 113.62 114.16 1enk n SER 10 Ca 0.01 0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.81 1enk n SER 10 Cb 0.19 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 1enk n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1enk n GLU 11 N -1.36 1.64 -2.37 4.33 1.02 -0.97 -5.02 120.64 117.91 1enk n GLU 11 Ca 0.11 -0.90 -0.37 0.00 -0.02 0.00 0.00 57.16 55.97 1enk n GLU 11 Cb 0.26 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1enk n GLU 11 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1enk s LEU 12 N -1.89 4.09 0.68 -4.62 1.43 -1.15 -5.03 118.68 112.19 1enk s LEU 12 Ca 0.14 2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 1enk s LEU 12 Cb 0.13 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1enk s LEU 12 CO 0.36 -0.72 1.08 0.00 0.23 0.00 0.00 176.35 177.30 1enk s ALA 13 N -1.57 2.54 0.50 4.21 0.00 -1.26 -4.79 121.76 121.39 1enk s ALA 13 Ca 0.60 0.34 0.20 0.00 0.00 0.00 0.00 51.96 53.11 1enk s ALA 13 Cb -0.27 -3.25 1.26 0.00 0.00 0.00 0.00 23.12 20.86 1enk s ALA 13 CO 0.33 -1.25 2.00 -0.44 0.00 0.00 0.00 175.76 176.40 1enk h ASP 14 N -0.29 0.13 0.60 0.00 3.32 -0.80 -1.93 116.42 117.45 1enk h ASP 14 Ca -0.45 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.33 1enk h ASP 14 Cb 1.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1enk h ASP 14 CO 0.55 0.07 -1.20 1.56 -1.72 0.00 0.00 179.24 178.50 1enk h GLN 15 N 0.14 0.29 -0.08 3.56 7.50 -1.92 -2.79 115.11 121.81 1enk h GLN 15 Ca 0.24 -0.46 -0.20 0.00 0.50 0.00 0.00 58.65 58.73 1enk h GLN 15 Cb 0.76 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.46 1enk h GLN 15 CO -0.03 1.20 -0.79 0.45 -1.50 0.00 0.00 178.83 178.16 1enk h HIS 16 N 0.09 0.68 0.30 2.96 3.86 -1.81 -0.45 115.15 120.79 1enk h HIS 16 Ca -0.13 -0.32 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1enk h HIS 16 Cb 1.92 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.27 1enk h HIS 16 CO 0.06 1.10 -0.24 1.25 0.86 0.00 0.00 177.93 180.96 1enk h LEU 17 N 0.33 -0.64 -1.00 2.43 5.85 -1.45 -1.10 115.31 119.73 1enk h LEU 17 Ca -0.05 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1enk h LEU 17 Cb 1.39 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 1enk h LEU 17 CO 0.14 -0.37 0.54 -0.03 -0.34 0.00 0.00 178.44 178.39 1enk h MET 18 N -0.55 1.23 -0.00 1.25 4.05 -1.45 -0.84 114.93 118.62 1enk h MET 18 Ca -0.02 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1enk h MET 18 Cb 0.49 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1enk h MET 18 CO -0.02 0.86 -0.01 0.00 0.23 0.00 0.00 176.91 177.98 1enk h ALA 19 N 1.35 0.00 -0.58 0.39 0.00 -0.97 -3.03 119.26 116.41 1enk h ALA 19 Ca 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1enk h ALA 19 Cb -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1enk h ALA 19 CO -0.06 -0.18 0.38 1.49 0.00 0.00 0.00 179.25 180.88 1enk h GLU 20 N -0.62 0.77 -0.39 0.00 4.81 -1.19 -0.36 114.58 117.61 1enk h GLU 20 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1enk h GLU 20 Cb 0.63 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1enk h GLU 20 CO 0.00 0.52 0.18 -0.92 -0.73 0.00 0.00 179.01 178.06 1enk h TYR 21 N 0.79 0.53 0.12 0.92 3.20 -1.14 -2.26 116.97 119.13 1enk h TYR 21 Ca 0.21 -0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.80 1enk h TYR 21 Cb -0.08 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1enk h TYR 21 CO 0.00 0.39 -1.28 0.00 -1.64 0.00 0.00 178.16 175.64 1enk h ARG 22 N 0.54 0.26 -0.06 1.82 -0.00 -1.08 -3.38 114.38 112.48 1enk h ARG 22 Ca 0.14 -0.45 -0.21 0.00 -0.50 0.00 0.00 59.98 58.96 1enk h ARG 22 Cb 0.06 0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.20 1enk h ARG 22 CO -0.02 1.20 -0.84 -0.44 0.00 0.00 0.00 179.97 179.86 1enk h ASP 23 N 0.07 0.64 0.06 7.04 5.19 -0.90 -3.38 116.42 125.14 1enk h ASP 23 Ca -0.15 -0.46 0.02 0.00 -0.62 0.00 0.00 57.03 55.83 1enk h ASP 23 Cb 1.97 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 41.26 1enk h ASP 23 CO 0.20 1.24 -0.20 0.25 -3.12 0.00 0.00 179.24 177.60 1enk h LEU 24 N 0.33 -0.57 -0.79 1.55 6.46 -1.60 -1.83 115.31 118.86 1enk h LEU 24 Ca -0.06 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1enk h LEU 24 Cb 1.46 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 1enk h LEU 24 CO 0.15 -0.27 0.02 -2.65 -0.62 0.00 0.00 178.44 175.07 1enk n PRO 25 N -5.33 0.08 -0.02 5.25 -0.02 -1.26 -1.42 135.00 132.27 1enk n PRO 25 Ca -0.06 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1enk n PRO 25 Cb 0.24 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 1enk n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1enk h ARG 26 N 0.00 0.06 0.07 -0.52 3.08 -1.51 -2.70 114.38 112.85 1enk h ARG 26 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1enk h ARG 26 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1enk h ARG 26 CO 0.00 0.59 -0.44 0.28 -1.07 0.00 0.00 179.97 179.34 1enk h VAL 27 N -0.47 0.00 -1.38 2.04 2.07 -1.26 0.57 116.25 117.83 1enk h VAL 27 Ca 0.00 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.96 1enk h VAL 27 Cb 0.59 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 1enk h VAL 27 CO 0.01 0.00 0.91 -0.26 0.02 0.00 0.00 177.57 178.25 1enk h PHE 28 N -0.60 0.43 0.32 1.57 0.04 -1.60 0.13 116.94 117.23 1enk h PHE 28 Ca -0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1enk h PHE 28 Cb 0.61 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1enk h PHE 28 CO -0.45 -0.15 -0.15 0.78 -0.60 0.00 0.00 178.31 177.74 1enk h GLY 29 N 0.09 -0.45 0.80 -1.45 0.00 -0.60 -3.20 103.07 98.26 1enk h GLY 29 Ca 0.80 0.17 0.02 0.00 0.00 0.00 0.00 47.33 48.32 1enk h GLY 29 CO -0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 176.54 176.01 1enk h ALA 30 N -0.30 0.02 -0.75 3.60 0.00 0.63 -2.17 119.26 120.29 1enk h ALA 30 Ca -0.04 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1enk h ALA 30 Cb 0.51 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1enk h ALA 30 CO 0.07 -0.51 0.50 0.28 0.00 0.00 0.00 179.25 179.58 1enk h VAL 31 N -0.04 0.92 -0.38 0.00 2.07 -1.38 -1.88 116.25 115.57 1enk h VAL 31 Ca 0.04 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1enk h VAL 31 Cb 0.10 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1enk h VAL 31 CO -0.10 0.12 0.06 -0.09 0.02 0.00 0.00 177.57 177.58 1enk h ARG 32 N 0.64 0.63 -0.98 1.57 2.43 -1.39 -0.56 114.38 116.71 1enk h ARG 32 Ca 0.35 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1enk h ARG 32 Cb 0.51 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1enk h ARG 32 CO -0.13 0.69 0.65 -0.22 -1.51 0.00 0.00 179.97 179.45 1enk h LYS 33 N 0.47 1.24 0.49 0.20 3.64 -1.12 -1.24 116.57 120.25 1enk h LYS 33 Ca 0.11 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1enk h LYS 33 Cb 0.37 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1enk h LYS 33 CO 0.01 0.82 -0.24 0.45 -2.27 0.00 0.00 179.45 178.23 1enk h HIS 34 N 1.28 -0.61 -0.29 1.91 3.86 -1.21 -1.90 115.15 118.18 1enk h HIS 34 Ca 0.38 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.63 1enk h HIS 34 Cb -0.06 0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.53 1enk h HIS 34 CO -0.00 -0.29 -0.45 0.28 0.86 0.00 0.00 177.93 178.34 1enk h VAL 35 N -0.99 0.10 0.00 2.45 2.07 -0.87 0.71 116.25 119.72 1enk h VAL 35 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1enk h VAL 35 Cb 0.60 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1enk h VAL 35 CO 0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1enk n ALA 36 N -3.02 1.53 -1.10 1.67 0.00 -0.49 -1.69 120.51 117.41 1enk n ALA 36 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1enk n ALA 36 Cb 0.36 -1.10 0.27 0.00 0.00 0.00 0.00 19.45 18.98 1enk n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1enk n ASN 37 N -1.23 4.09 -0.55 0.00 5.03 0.23 -4.90 115.26 117.93 1enk n ASN 37 Ca 0.03 -3.25 -0.07 0.00 0.87 0.00 0.00 54.58 52.16 1enk n ASN 37 Cb 0.04 -0.65 -0.03 0.00 -1.02 0.00 0.00 39.78 38.12 1enk n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1enk n GLY 38 N -0.44 0.92 3.87 7.41 0.00 -0.68 -5.02 105.19 111.24 1enk n GLY 38 Ca 0.32 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1enk n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1enk s LYS 39 N -2.43 3.82 0.06 1.61 -0.14 -0.47 -5.02 119.74 117.17 1enk s LYS 39 Ca 0.00 0.63 -0.04 0.00 -1.36 0.00 0.00 55.97 55.19 1enk s LYS 39 Cb 0.00 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 33.84 1enk s LYS 39 CO 0.00 -0.14 0.07 1.03 -0.76 0.00 0.00 175.35 175.55 1enk s ARG 40 N -4.02 0.68 0.33 1.68 1.81 -1.26 -4.26 118.95 113.92 1enk s ARG 40 Ca 0.54 -1.04 0.07 0.00 -1.72 0.00 0.00 55.73 53.59 1enk s ARG 40 Cb -0.10 0.26 0.76 0.00 -0.45 0.00 0.00 34.95 35.42 1enk s ARG 40 CO 0.33 -0.17 1.84 0.28 -0.68 0.00 0.00 175.30 176.90 1enk h VAL 41 N 3.12 0.82 0.00 3.52 2.07 -1.96 -1.29 116.25 122.54 1enk h VAL 41 Ca -0.34 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1enk h VAL 41 Cb 1.17 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1enk h VAL 41 CO 0.59 0.14 -0.01 0.08 0.02 0.00 0.00 177.57 178.39 1enk h ARG 42 N 0.76 0.00 0.00 1.57 0.11 -2.00 -2.11 114.38 112.71 1enk h ARG 42 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 1enk h ARG 42 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 1enk h ARG 42 CO -0.25 0.01 0.00 -0.25 0.10 0.00 0.00 179.97 179.58 1enk n ASP 43 N -3.16 0.00 -4.64 0.08 8.00 -0.49 -4.83 116.55 111.51 1enk n ASP 43 Ca -0.02 0.35 -0.33 0.00 0.71 0.00 0.00 54.79 55.50 1enk n ASP 43 Cb 0.13 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1enk n ASP 43 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1enk s PHE 44 N -2.89 3.00 -1.26 1.24 0.08 -0.79 -5.04 117.98 112.31 1enk s PHE 44 Ca 0.16 0.03 -0.16 0.00 0.12 0.00 0.00 56.93 57.08 1enk s PHE 44 Cb 0.17 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 41.08 1enk s PHE 44 CO 0.46 0.42 1.62 1.63 -0.10 0.00 0.00 175.22 179.24 1enk n LYS 45 N 1.55 3.27 -2.63 0.44 5.02 -1.26 -4.95 118.16 119.60 1enk n LYS 45 Ca -0.15 -3.52 -0.43 0.00 -2.02 0.00 0.00 58.31 52.19 1enk n LYS 45 Cb 0.53 -3.30 -0.02 0.00 -0.02 0.00 0.00 35.03 32.22 1enk n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1enk s ILE 46 N 3.04 4.60 0.49 -0.18 -1.09 -1.26 -4.86 121.20 121.95 1enk s ILE 46 Ca 0.49 1.91 -0.23 0.00 -2.23 0.00 0.00 60.65 60.59 1enk s ILE 46 Cb 0.01 -4.30 -0.06 0.00 -1.58 0.00 0.00 42.46 36.53 1enk s ILE 46 CO 0.04 -0.25 1.26 -0.55 -1.23 0.00 0.00 174.94 174.22 1enk s SER 47 N 1.40 5.78 0.31 3.58 0.15 -1.26 -4.97 113.70 118.70 1enk s SER 47 Ca 0.46 2.53 0.15 0.00 0.70 0.00 0.00 55.95 59.78 1enk s SER 47 Cb -0.15 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 62.00 1enk s SER 47 CO 0.09 -1.20 1.64 1.55 1.20 0.00 0.00 173.24 176.52 1enk h PRO 48 N 1.82 0.00 -6.18 5.44 0.13 -1.98 -3.46 132.00 127.77 1enk h PRO 48 Ca -0.50 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 1enk h PRO 48 Cb 1.27 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 1enk h PRO 48 CO 0.59 0.51 -0.69 0.95 -0.23 0.00 0.00 178.00 179.13 1enk s THR 49 N -3.52 2.91 0.08 1.56 -4.23 -1.26 -5.09 115.64 106.09 1enk s THR 49 Ca -0.00 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.06 1enk s THR 49 Cb 0.11 -2.60 -0.08 0.00 1.34 0.00 0.00 72.50 71.27 1enk s THR 49 CO 0.73 -0.36 1.48 0.12 -0.54 0.00 0.00 174.62 176.05 1enk s PHE 50 N -2.43 2.90 -0.03 3.99 5.36 -1.26 -5.00 117.98 121.51 1enk s PHE 50 Ca 0.31 0.71 0.05 0.00 -0.96 0.00 0.00 56.93 57.05 1enk s PHE 50 Cb -0.05 -3.78 -0.01 0.00 -0.34 0.00 0.00 43.02 38.84 1enk s PHE 50 CO 0.18 -2.91 -0.19 -1.50 -1.46 0.00 0.00 175.22 169.34 1enk s ILE 51 N 1.87 1.53 -0.03 3.12 1.10 -1.26 -5.06 121.20 122.46 1enk s ILE 51 Ca 0.67 -0.81 0.14 0.00 -0.51 0.00 0.00 60.65 60.15 1enk s ILE 51 Cb -0.37 -1.28 -0.22 0.00 0.15 0.00 0.00 42.46 40.74 1enk s ILE 51 CO 0.30 0.43 0.29 0.18 -2.11 0.00 0.00 174.94 174.03 1enk n LEU 52 N 2.80 0.00 0.00 8.50 4.77 -1.26 -4.46 117.00 127.35 1enk n LEU 52 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1enk n LEU 52 Cb 0.53 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1enk n LEU 52 CO 0.24 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1enk n GLY 53 N 1.73 0.40 0.00 -0.72 0.00 -1.26 -4.71 105.19 100.63 1enk n GLY 53 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1enk n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1enk n ALA 54 N -3.00 0.00 -1.06 4.61 0.00 -1.26 -1.59 120.51 118.21 1enk n ALA 54 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1enk n ALA 54 Cb 0.00 0.31 0.03 0.00 0.00 0.00 0.00 19.45 19.79 1enk n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1enk n GLY 55 N -0.97 4.46 0.09 0.00 0.00 -1.26 -4.66 105.19 102.84 1enk n GLY 55 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1enk n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1enk h HIS 56 N 1.78 -0.12 -0.31 1.61 6.17 -1.51 -3.03 115.15 119.74 1enk h HIS 56 Ca 0.36 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.33 1enk h HIS 56 Cb 0.86 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.81 1enk h HIS 56 CO 1.00 0.02 -0.27 0.28 0.71 0.00 0.00 177.93 179.67 1enk h VAL 57 N -0.22 1.28 -0.57 5.26 2.07 -1.83 -3.09 116.25 119.14 1enk h VAL 57 Ca -0.01 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.21 1enk h VAL 57 Cb 0.19 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1enk h VAL 57 CO 0.02 0.44 0.38 0.74 0.02 0.00 0.00 177.57 179.17 1enk h THR 58 N 0.55 0.95 -0.55 2.57 2.02 -1.91 -1.87 112.91 114.68 1enk h THR 58 Ca 0.07 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 67.18 1enk h THR 58 Cb 0.75 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1enk h THR 58 CO 0.06 0.09 0.37 0.15 0.37 0.00 0.00 175.52 176.56 1enk h PHE 59 N 0.47 0.40 -0.41 3.16 3.57 -1.44 0.13 116.94 122.82 1enk h PHE 59 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1enk h PHE 59 Cb 0.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1enk h PHE 59 CO -0.00 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.47 1enk n PHE 60 N -4.47 0.55 0.28 0.41 3.72 -0.70 -4.34 117.46 112.90 1enk n PHE 60 Ca 0.09 -0.28 0.16 0.00 -0.05 0.00 0.00 57.45 57.37 1enk n PHE 60 Cb 0.34 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 39.64 1enk n PHE 60 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1enk h TYR 61 N 2.74 0.00 -0.31 1.38 -1.99 -1.05 -2.35 116.97 115.38 1enk h TYR 61 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1enk h TYR 61 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1enk h TYR 61 CO 0.28 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.11 1enk n ASP 62 N -3.29 3.22 -1.19 3.88 5.75 -1.25 -4.54 116.55 119.12 1enk n ASP 62 Ca -0.01 -2.32 0.03 0.00 -0.01 0.00 0.00 54.79 52.48 1enk n ASP 62 Cb 0.27 -0.33 0.11 0.00 -1.03 0.00 0.00 41.12 40.14 1enk n ASP 62 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1enk n LYS 63 N 0.18 1.10 0.15 0.11 5.02 -0.89 -1.83 118.16 122.00 1enk n LYS 63 Ca 0.14 -2.85 0.09 0.00 -2.02 0.00 0.00 58.31 53.67 1enk n LYS 63 Cb 0.57 -1.01 0.49 0.00 -0.02 0.00 0.00 35.03 35.06 1enk n LYS 63 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1enk n LEU 64 N -0.41 0.47 0.07 -0.35 4.77 -1.00 -1.47 117.00 119.08 1enk n LEU 64 Ca 0.15 0.69 -0.21 0.00 -0.03 0.00 0.00 56.01 56.61 1enk n LEU 64 Cb 0.90 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 1enk n LEU 64 CO -0.00 -0.85 -0.01 -0.08 -1.33 0.00 0.00 177.39 175.12 1enk h GLU 65 N 0.00 0.60 -0.31 3.23 4.57 -1.47 -1.85 114.58 119.35 1enk h GLU 65 Ca 0.00 -0.77 -0.11 0.00 -1.18 0.00 0.00 59.36 57.30 1enk h GLU 65 Cb 0.14 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1enk h GLU 65 CO 0.00 1.34 -0.26 0.35 -1.18 0.00 0.00 179.01 179.27 1enk h PHE 66 N 0.22 0.70 0.00 0.92 3.04 -1.02 -2.44 116.94 118.37 1enk h PHE 66 Ca -0.17 -0.16 -0.10 0.00 3.98 0.00 0.00 57.97 61.52 1enk h PHE 66 Cb 1.81 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.14 1enk h PHE 66 CO 0.12 0.82 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.68 1enk h LEU 67 N 0.54 0.00 -0.15 0.59 3.38 -1.45 -1.80 115.31 116.43 1enk h LEU 67 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1enk h LEU 67 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1enk h LEU 67 CO 0.06 0.48 -0.20 -0.09 0.09 0.00 0.00 178.44 178.77 1enk h ARG 68 N 0.00 0.40 -0.28 1.13 2.43 -0.95 -1.18 114.38 115.93 1enk h ARG 68 Ca -0.00 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1enk h ARG 68 Cb 0.89 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1enk h ARG 68 CO 0.06 0.81 -0.02 0.87 -1.51 0.00 0.00 179.97 180.18 1enk h LYS 69 N 0.01 0.42 0.12 0.20 1.57 -1.36 -2.78 116.57 114.75 1enk h LYS 69 Ca 0.02 -0.09 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 1enk h LYS 69 Cb 0.76 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1enk h LYS 69 CO 0.05 0.47 -1.21 -0.09 -0.57 0.00 0.00 179.45 178.10 1enk h ARG 70 N 0.41 0.36 -0.64 3.15 2.43 -1.28 -2.88 114.38 115.93 1enk h ARG 70 Ca 0.09 -0.54 0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1enk h ARG 70 Cb 0.31 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1enk h ARG 70 CO 0.01 1.23 0.42 0.37 -1.51 0.00 0.00 179.97 180.50 1enk h GLN 71 N 0.13 0.79 -0.42 0.20 5.75 -0.95 0.25 115.11 120.87 1enk h GLN 71 Ca -0.14 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.27 1enk h GLN 71 Cb 1.91 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 30.27 1enk h GLN 71 CO 0.21 0.53 0.10 0.82 -2.65 0.00 0.00 178.83 177.83 1enk h ILE 72 N 0.82 1.23 -0.09 2.39 2.04 -1.56 -1.17 117.51 121.17 1enk h ILE 72 Ca 0.24 -0.79 -0.19 0.00 1.00 0.00 0.00 64.86 65.12 1enk h ILE 72 Cb -0.02 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1enk h ILE 72 CO -0.06 0.28 -0.70 -0.33 0.00 0.00 0.00 178.15 177.34 1enk h GLU 73 N 0.54 0.64 -0.26 2.37 5.08 -0.89 -2.92 114.58 119.14 1enk h GLU 73 Ca 0.13 -0.56 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1enk h GLU 73 Cb 0.31 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1enk h GLU 73 CO 0.00 1.18 -0.11 -0.07 -1.00 0.00 0.00 179.01 179.01 1enk h LEU 74 N 0.29 0.40 -0.35 1.33 3.38 -0.42 -2.57 115.31 117.36 1enk h LEU 74 Ca -0.06 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1enk h LEU 74 Cb 1.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1enk h LEU 74 CO 0.14 0.55 -0.14 0.40 0.09 0.00 0.00 178.44 179.48 1enk h ILE 75 N 0.39 1.28 -0.97 1.22 2.04 -1.19 -2.04 117.51 118.24 1enk h ILE 75 Ca 0.08 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1enk h ILE 75 Cb 0.44 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1enk h ILE 75 CO 0.02 0.41 0.61 0.00 0.00 0.00 0.00 178.15 179.19 1enk h ALA 76 N 0.79 1.24 -0.24 1.87 0.00 -1.40 -2.25 119.26 119.27 1enk h ALA 76 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1enk h ALA 76 Cb 0.67 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1enk h ALA 76 CO 0.05 0.66 -0.27 1.49 0.00 0.00 0.00 179.25 181.17 1enk h GLU 77 N 1.33 0.48 -0.24 0.00 4.57 -1.38 -1.60 114.58 117.74 1enk h GLU 77 Ca 0.35 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1enk h GLU 77 Cb -0.10 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1enk h GLU 77 CO -0.07 0.71 0.04 0.00 -1.18 0.00 0.00 179.01 178.52 1enk h LEU 79 N 0.21 0.26 -1.65 0.00 3.38 -1.37 -1.71 115.31 114.42 1enk h LEU 79 Ca 0.07 -0.20 0.21 0.00 0.09 0.00 0.00 57.88 58.06 1enk h LEU 79 Cb 0.31 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1enk h LEU 79 CO 0.00 0.38 0.58 0.11 0.09 0.00 0.00 178.44 179.61 1enk h LYS 80 N 0.11 0.28 -0.00 1.13 1.57 -1.29 -0.43 116.57 117.94 1enk h LYS 80 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1enk h LYS 80 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1enk h LYS 80 CO -0.00 0.19 -0.42 0.54 -0.57 0.00 0.00 179.45 179.18 1enk n ARG 81 N -4.45 0.48 -2.00 3.15 1.74 -1.12 -4.97 116.66 109.49 1enk n ARG 81 Ca 0.18 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1enk n ARG 81 Cb 0.73 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1enk n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1enk n GLY 82 N 1.42 0.82 3.74 -0.13 0.00 -0.17 -5.02 105.19 105.85 1enk n GLY 82 Ca 0.09 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1enk n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1enk s PHE 83 N -2.81 3.39 -0.81 1.61 0.08 -0.65 -5.04 117.98 113.75 1enk s PHE 83 Ca 0.00 0.30 -0.11 0.00 0.12 0.00 0.00 56.93 57.24 1enk s PHE 83 Cb 0.00 -2.02 0.21 0.00 -0.57 0.00 0.00 43.02 40.65 1enk s PHE 83 CO 0.00 0.42 0.73 -0.80 -0.10 0.00 0.00 175.22 175.47 1enk s ASN 84 N -0.25 6.50 0.28 1.36 0.01 -1.26 -4.46 114.94 117.12 1enk s ASN 84 Ca 0.09 -2.80 0.03 0.00 -0.71 0.00 0.00 52.86 49.47 1enk s ASN 84 Cb -0.12 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 1enk s ASN 84 CO 0.01 -0.51 0.43 0.27 -1.51 0.00 0.00 177.10 175.79 1enk s ILE 85 N -0.00 5.20 -0.11 0.60 -5.25 -1.26 -5.10 121.20 115.28 1enk s ILE 85 Ca 0.19 -0.80 -0.02 0.00 -0.99 0.00 0.00 60.65 59.03 1enk s ILE 85 Cb -0.12 -3.86 0.04 0.00 2.95 0.00 0.00 42.46 41.47 1enk s ILE 85 CO -0.08 -0.41 0.01 -0.54 -1.79 0.00 0.00 174.94 172.13 1enk s LYS 86 N -4.10 0.61 0.00 0.37 1.02 -1.26 -4.82 119.74 111.55 1enk s LYS 86 Ca 0.36 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1enk s LYS 86 Cb -0.09 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1enk s LYS 86 CO 0.32 -0.40 0.00 -3.47 -0.92 0.00 0.00 175.35 170.87 1enk n ASP 87 N 5.13 0.00 0.19 2.83 2.03 -1.26 -5.00 116.55 120.46 1enk n ASP 87 Ca -0.08 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.37 1enk n ASP 87 Cb 0.49 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.51 1enk n ASP 87 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1enk h THR 88 N 0.00 0.00 -3.40 5.18 2.02 -2.00 -3.44 112.91 111.27 1enk h THR 88 Ca 0.00 -0.21 -0.60 0.00 0.77 0.00 0.00 66.41 66.38 1enk h THR 88 Cb 0.00 0.95 -0.11 0.00 -1.74 0.00 0.00 68.15 67.26 1enk h THR 88 CO 0.00 0.00 -0.27 -0.89 0.37 0.00 0.00 175.52 174.73 1enk s THR 89 N -3.51 5.25 0.24 3.16 2.01 -1.26 -5.04 115.64 116.49 1enk s THR 89 Ca 0.01 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1enk s THR 89 Cb 0.09 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 1enk s THR 89 CO 0.38 0.32 1.11 0.68 -0.69 0.00 0.00 174.62 176.41 1enk s VAL 90 N 0.90 3.60 0.39 3.82 -7.23 -1.26 -5.01 120.40 115.62 1enk s VAL 90 Ca 0.18 1.52 -0.24 0.00 -1.81 0.00 0.00 61.98 61.62 1enk s VAL 90 Cb -0.14 -3.97 -0.09 0.00 0.56 0.00 0.00 36.38 32.75 1enk s VAL 90 CO 0.06 0.32 1.07 -1.58 -0.31 0.00 0.00 175.10 174.66 1enk s GLN 91 N -1.02 4.17 -0.33 4.82 0.74 -1.26 -5.00 119.66 121.77 1enk s GLN 91 Ca 0.47 1.57 -0.12 0.00 0.05 0.00 0.00 55.36 57.33 1enk s GLN 91 Cb -0.31 -2.59 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 1enk s GLN 91 CO 0.39 -0.15 0.21 0.34 -0.55 0.00 0.00 175.29 175.52 1enk s ASP 92 N -1.48 5.86 0.00 6.67 2.15 -1.26 -4.92 116.67 123.69 1enk s ASP 92 Ca 0.57 -0.49 0.14 0.00 0.43 0.00 0.00 52.55 53.20 1enk s ASP 92 Cb -0.24 -2.08 0.37 0.00 -0.30 0.00 0.00 42.92 40.67 1enk s ASP 92 CO 0.30 -0.23 1.30 2.30 -0.17 0.00 0.00 175.17 178.66 1enk n ILE 93 N 5.06 0.90 0.93 4.11 -5.35 -1.26 -4.50 119.36 119.26 1enk n ILE 93 Ca -0.13 -0.95 0.05 0.00 -0.27 0.00 0.00 62.75 61.45 1enk n ILE 93 Cb 0.49 0.58 0.30 0.00 -1.74 0.00 0.00 39.64 39.27 1enk n ILE 93 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1enk n SER 94 N 0.83 0.00 0.10 7.28 3.41 -1.26 -1.58 113.62 122.40 1enk n SER 94 Ca 0.15 -0.62 -0.15 0.00 -0.26 0.00 0.00 58.87 57.99 1enk n SER 94 Cb 0.47 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 1enk n SER 94 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1enk h ASP 95 N 0.00 0.40 -3.29 4.04 2.03 -2.02 -3.46 116.42 114.13 1enk h ASP 95 Ca 0.00 -0.42 -0.55 0.00 -0.73 0.00 0.00 57.03 55.32 1enk h ASP 95 Cb 0.00 -0.13 -0.03 0.00 -0.83 0.00 0.00 39.33 38.34 1enk h ASP 95 CO 0.00 1.32 0.53 -0.63 -1.03 0.00 0.00 179.24 179.43 1enk s ILE 96 N -2.71 4.79 0.22 4.15 1.01 -0.61 -5.01 121.20 123.04 1enk s ILE 96 Ca -0.04 2.04 -0.25 0.00 0.00 0.00 0.00 60.65 62.41 1enk s ILE 96 Cb 0.07 -4.31 -0.15 0.00 0.01 0.00 0.00 42.46 38.08 1enk s ILE 96 CO 0.88 0.04 0.40 -2.65 0.00 0.00 0.00 174.94 173.61 1enk n PRO 97 N 4.78 0.00 -0.35 2.79 -0.02 -1.26 -4.81 135.00 136.13 1enk n PRO 97 Ca 0.08 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.58 1enk n PRO 97 Cb 0.49 -0.92 0.18 0.00 -0.02 0.00 0.00 33.50 33.23 1enk n PRO 97 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1enk h GLN 98 N 0.80 1.15 -0.57 -0.52 4.15 -1.95 -2.29 115.11 115.89 1enk h GLN 98 Ca -0.27 -0.07 0.16 0.00 0.77 0.00 0.00 58.65 59.24 1enk h GLN 98 Cb 1.33 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1enk h GLN 98 CO 0.51 0.76 0.56 1.05 -1.93 0.00 0.00 178.83 179.78 1enk h GLU 99 N 1.19 0.00 0.00 1.69 4.11 -1.99 0.21 114.58 119.79 1enk h GLU 99 Ca 0.40 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.77 1enk h GLU 99 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1enk h GLU 99 CO -0.13 0.00 -0.90 0.74 0.07 0.00 0.00 179.01 178.78 1enk h PHE 100 N 0.00 0.00 -1.85 2.06 -1.00 -1.66 -3.41 116.94 111.08 1enk h PHE 100 Ca 0.27 0.00 -0.77 0.00 2.81 0.00 0.00 57.97 60.28 1enk h PHE 100 Cb 1.38 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.75 1enk h PHE 100 CO 0.00 0.22 1.66 0.54 -1.61 0.00 0.00 178.31 179.12 1enk n ARG 101 N -2.87 4.11 -2.91 1.51 1.74 0.73 -2.36 116.66 116.60 1enk n ARG 101 Ca -0.02 -3.89 -0.19 0.00 -0.77 0.00 0.00 57.85 52.99 1enk n ARG 101 Cb 0.65 -2.74 0.03 0.00 -1.02 0.00 0.00 32.46 29.38 1enk n ARG 101 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1enk s GLY 102 N -0.13 1.87 0.42 -0.13 0.00 -0.76 -4.52 107.32 104.07 1enk s GLY 102 Ca 0.39 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 43.48 1enk s GLY 102 CO 0.02 -1.42 0.24 -0.35 0.00 0.00 0.00 173.10 171.59 1enk s ASP 103 N -4.45 4.60 -0.20 1.64 -1.08 -1.26 -1.43 116.67 114.50 1enk s ASP 103 Ca 0.58 -1.00 -0.18 0.00 -0.52 0.00 0.00 52.55 51.43 1enk s ASP 103 Cb -0.09 -0.45 0.05 0.00 -1.46 0.00 0.00 42.92 40.97 1enk s ASP 103 CO 0.36 -0.60 0.52 -0.47 0.52 0.00 0.00 175.17 175.49 1enk s TYR 104 N -2.58 -0.58 -0.23 -5.34 5.04 -1.26 -4.85 117.35 107.56 1enk s TYR 104 Ca 0.42 1.40 -0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1enk s TYR 104 Cb 0.02 0.20 0.07 0.00 0.35 0.00 0.00 41.96 42.60 1enk s TYR 104 CO 0.24 -0.28 0.02 -1.50 -1.34 0.00 0.00 175.55 172.68 1enk s ILE 105 N 0.33 0.97 0.25 3.14 -1.16 -1.26 -4.94 121.20 118.52 1enk s ILE 105 Ca -0.00 -0.97 -0.30 0.00 -0.51 0.00 0.00 60.65 58.87 1enk s ILE 105 Cb -0.04 -1.44 -0.09 0.00 0.61 0.00 0.00 42.46 41.50 1enk s ILE 105 CO 0.00 -0.26 1.27 -2.16 -2.81 0.00 0.00 174.94 170.98 1enk s PRO 106 N 1.64 4.43 0.57 3.50 0.04 -1.26 -5.02 135.00 138.90 1enk s PRO 106 Ca -0.01 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1enk s PRO 106 Cb -0.18 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1enk s PRO 106 CO -0.10 -0.15 1.09 -1.58 0.04 0.00 0.00 177.00 176.30 1enk s HIS 107 N -0.46 2.80 0.31 0.56 2.46 -1.26 -4.87 115.29 114.83 1enk s HIS 107 Ca 0.52 1.54 0.06 0.00 0.47 0.00 0.00 55.06 57.65 1enk s HIS 107 Cb -0.36 -3.14 0.71 0.00 -0.13 0.00 0.00 32.58 29.65 1enk s HIS 107 CO 0.43 -1.34 1.81 1.49 -2.47 0.00 0.00 174.74 174.65 1enk h GLU 108 N 0.78 0.79 0.00 2.88 4.81 -1.99 -1.06 114.58 120.79 1enk h GLU 108 Ca -0.48 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1enk h GLU 108 Cb 1.24 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1enk h GLU 108 CO 0.57 0.52 -0.28 0.00 -0.73 0.00 0.00 179.01 179.09 1enk h ALA 109 N 1.61 1.44 0.00 2.92 0.00 -1.99 -1.77 119.26 121.46 1enk h ALA 109 Ca 0.54 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 1enk h ALA 109 Cb 0.78 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1enk h ALA 109 CO -0.32 0.35 -1.20 0.77 0.00 0.00 0.00 179.25 178.85 1enk h SER 110 N 0.00 0.00 0.57 0.00 0.02 -1.58 -3.01 113.55 109.56 1enk h SER 110 Ca -0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1enk h SER 110 Cb 0.53 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1enk h SER 110 CO 0.04 1.00 -0.46 0.40 -1.14 0.00 0.00 176.83 176.67 1enk h ILE 111 N 0.00 1.22 -0.26 3.27 2.04 -0.96 -2.42 117.51 120.40 1enk h ILE 111 Ca -0.09 -1.62 -0.13 0.00 1.00 0.00 0.00 64.86 64.02 1enk h ILE 111 Cb 1.84 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1enk h ILE 111 CO 0.12 0.45 -0.39 0.00 0.00 0.00 0.00 178.15 178.32 1enk h ALA 112 N 1.54 0.82 0.11 1.87 0.00 -1.23 0.14 119.26 122.51 1enk h ALA 112 Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1enk h ALA 112 Cb 0.87 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1enk h ALA 112 CO 0.06 0.65 -0.34 0.82 0.00 0.00 0.00 179.25 180.44 1enk h ILE 113 N 0.51 0.29 -0.65 0.00 2.04 -1.31 -0.63 117.51 117.76 1enk h ILE 113 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1enk h ILE 113 Cb 0.90 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1enk h ILE 113 CO 0.08 0.00 0.35 -1.28 0.00 0.00 0.00 178.15 177.29 1enk h SER 114 N -0.55 0.80 -0.23 1.72 0.87 -1.43 -2.86 113.55 111.86 1enk h SER 114 Ca 0.03 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1enk h SER 114 Cb 0.59 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1enk h SER 114 CO -0.21 0.65 -0.17 -0.61 -0.53 0.00 0.00 176.83 175.97 1enk h GLN 115 N 0.90 0.52 -0.10 2.24 5.75 -0.12 -3.20 115.11 121.11 1enk h GLN 115 Ca 0.23 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1enk h GLN 115 Cb 0.04 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1enk h GLN 115 CO -0.04 0.82 -0.08 0.00 -2.65 0.00 0.00 178.83 176.88 1enk h ALA 116 N 0.69 1.67 -0.23 3.38 0.00 -0.93 -1.20 119.26 122.64 1enk h ALA 116 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1enk h ALA 116 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1enk h ALA 116 CO 0.05 0.24 0.01 -0.09 0.00 0.00 0.00 179.25 179.46 1enk h ARG 117 N 0.15 0.40 -0.67 0.00 9.65 -1.51 -1.23 114.38 121.17 1enk h ARG 117 Ca 0.03 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1enk h ARG 117 Cb 0.25 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1enk h ARG 117 CO 0.01 0.57 0.22 1.25 2.80 0.00 0.00 179.97 184.83 1enk h LEU 118 N 0.18 0.95 -0.62 3.80 5.85 -1.52 -1.50 115.31 122.46 1enk h LEU 118 Ca 0.07 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 1enk h LEU 118 Cb 0.38 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1enk h LEU 118 CO 0.01 0.88 -0.67 0.44 -0.34 0.00 0.00 178.44 178.76 1enk h ASP 119 N 0.99 0.13 0.34 1.25 3.32 -1.01 -2.75 116.42 118.69 1enk h ASP 119 Ca 0.22 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 1enk h ASP 119 Cb 0.26 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1enk h ASP 119 CO -0.01 0.76 -0.82 -0.33 -1.72 0.00 0.00 179.24 177.12 1enk h GLU 120 N 0.08 0.37 0.01 3.56 5.08 -0.83 -2.51 114.58 120.34 1enk h GLU 120 Ca -0.01 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1enk h GLU 120 Cb 1.19 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1enk h GLU 120 CO 0.09 1.00 -0.01 0.87 -1.00 0.00 0.00 179.01 179.97 1enk h LYS 121 N 0.23 -0.01 -0.71 2.33 6.56 -1.22 -2.85 116.57 120.89 1enk h LYS 121 Ca -0.05 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.59 1enk h LYS 121 Cb 1.42 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.04 1enk h LYS 121 CO 0.14 0.42 0.47 0.82 -2.06 0.00 0.00 179.45 179.23 1enk h ILE 122 N -0.45 1.08 0.00 1.86 2.04 -1.53 0.14 117.51 120.65 1enk h ILE 122 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1enk h ILE 122 Cb 0.44 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1enk h ILE 122 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.30 1enk n ALA 123 N -2.44 1.72 -0.32 1.87 0.00 -0.95 -2.00 120.51 118.39 1enk n ALA 123 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1enk n ALA 123 Cb 0.16 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1enk n ALA 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1enk n GLN 124 N -2.03 0.00 -3.49 0.00 6.02 0.50 -4.58 117.38 113.80 1enk n GLN 124 Ca 0.03 0.39 -0.27 0.00 -0.01 0.00 0.00 57.00 57.14 1enk n GLN 124 Cb 0.23 -1.34 -0.13 0.00 1.02 0.00 0.00 30.24 30.02 1enk n GLN 124 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1enk s ARG 125 N -2.36 0.32 0.00 -1.09 0.52 -1.23 -5.02 118.95 110.08 1enk s ARG 125 Ca 0.00 -0.69 0.19 0.00 -0.52 0.00 0.00 55.73 54.71 1enk s ARG 125 Cb 0.00 -1.10 1.14 0.00 0.52 0.00 0.00 34.95 35.50 1enk s ARG 125 CO 0.00 -1.08 1.54 -0.35 0.02 0.00 0.00 175.30 175.43 1enk n PRO 126 N 4.91 0.64 0.00 3.54 -0.04 -0.85 -2.40 135.00 140.80 1enk n PRO 126 Ca -0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1enk n PRO 126 Cb 0.41 -1.47 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 1enk n PRO 126 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1enk n THR 127 N -0.97 0.00 0.93 0.52 -2.24 -1.26 -2.82 114.28 108.44 1enk n THR 127 Ca 0.14 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1enk n THR 127 Cb 0.07 -0.12 0.32 0.00 -2.10 0.00 0.00 70.33 68.50 1enk n THR 127 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1enk n TRP 128 N -1.41 0.09 -5.17 4.78 8.01 -1.01 -4.89 117.44 117.84 1enk n TRP 128 Ca 0.08 0.03 -0.32 0.00 -1.31 0.00 0.00 57.50 55.98 1enk n TRP 128 Cb 0.33 -0.37 -0.15 0.00 -2.01 0.00 0.00 31.31 29.10 1enk n TRP 128 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1enk s TYR 129 N -3.02 2.45 0.04 -5.99 2.02 -1.13 -4.94 117.35 106.78 1enk s TYR 129 Ca 0.11 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1enk s TYR 129 Cb 0.17 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1enk s TYR 129 CO 0.66 0.03 -0.06 0.15 -1.57 0.00 0.00 175.55 174.76 1enk s LYS 130 N -0.64 0.50 -0.29 -0.62 1.02 -1.26 -4.59 119.74 113.86 1enk s LYS 130 Ca 0.10 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.31 1enk s LYS 130 Cb -0.10 -0.14 0.09 0.00 -0.52 0.00 0.00 37.83 37.15 1enk s LYS 130 CO -0.00 0.01 0.03 -0.47 -0.92 0.00 0.00 175.35 174.00 1enk s TYR 131 N -1.72 2.47 -0.69 3.18 5.04 0.13 0.02 117.35 125.78 1enk s TYR 131 Ca -0.09 -2.05 0.00 0.00 -2.44 0.00 0.00 57.07 52.49 1enk s TYR 131 Cb -0.08 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.26 1enk s TYR 131 CO -0.01 -0.85 0.00 0.66 -1.34 0.00 0.00 175.55 174.01 1enk n TYR 132 N 4.63 0.00 -0.02 4.97 4.02 -1.26 -2.87 117.16 126.64 1enk n TYR 132 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1enk n TYR 132 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 39.34 38.30 1enk n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1enk n GLY 133 N -2.02 0.28 3.86 2.72 0.00 -1.26 -5.07 105.19 103.69 1enk n GLY 133 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1enk n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1enk s LYS 134 N -0.95 3.23 -1.25 1.61 -2.85 -1.14 -4.97 119.74 113.42 1enk s LYS 134 Ca 0.00 -0.50 -0.06 0.00 -1.00 0.00 0.00 55.97 54.41 1enk s LYS 134 Cb 0.00 -2.93 0.18 0.00 -2.06 0.00 0.00 37.83 33.02 1enk s LYS 134 CO 0.00 0.61 2.07 0.00 0.10 0.00 0.00 175.35 178.13 1enk n ALA 135 N 0.54 6.11 0.69 0.59 0.00 -1.26 0.22 120.51 127.40 1enk n ALA 135 Ca -0.08 -4.30 0.11 0.00 0.00 0.00 0.00 53.44 49.18 1enk n ALA 135 Cb 0.52 -2.72 0.47 0.00 0.00 0.00 0.00 19.45 17.71 1enk n ALA 135 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1enk n ILE 136 N 1.96 0.53 -3.40 0.00 -5.35 -1.26 -4.81 119.36 107.02 1enk n ILE 136 Ca 0.50 0.05 -0.38 0.00 -0.27 0.00 0.00 62.75 62.65 1enk n ILE 136 Cb 0.29 -0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 37.37 1enk n ILE 136 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1enk s TYR 137 N -3.07 3.74 0.00 4.28 2.02 -1.26 -5.13 117.35 117.93 1enk s TYR 137 Ca 0.10 1.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 1enk s TYR 137 Cb 0.14 -2.37 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1enk s TYR 137 CO 0.44 0.59 0.00 0.00 -1.57 0.00 0.00 175.55 175.02