#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njk n GLN 2 N 0.00 0.00 -3.85 -0.41 7.27 -1.26 -4.91 117.38 114.22 1njk n GLN 2 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1njk n GLN 2 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 1njk n GLN 2 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1njk s THR 3 N -0.65 0.02 -0.04 1.69 2.01 -0.59 -4.98 115.64 113.10 1njk s THR 3 Ca 0.00 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1njk s THR 3 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1njk s THR 3 CO 0.00 -0.09 -0.18 -1.10 -0.69 0.00 0.00 174.62 172.56 1njk s GLN 4 N -0.25 2.41 -0.04 4.92 -0.21 -1.26 0.02 119.66 125.26 1njk s GLN 4 Ca -0.03 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.58 1njk s GLN 4 Cb -0.02 -2.27 0.02 0.00 1.00 0.00 0.00 33.01 31.73 1njk s GLN 4 CO 0.00 0.58 -0.05 0.42 -2.12 0.00 0.00 175.29 174.12 1njk s ILE 5 N -0.63 0.54 -0.17 1.08 1.01 -0.03 -4.96 121.20 118.04 1njk s ILE 5 Ca 0.09 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 1njk s ILE 5 Cb -0.11 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1njk s ILE 5 CO 0.00 0.21 0.46 -0.75 0.00 0.00 0.00 174.94 174.87 1njk s LYS 6 N 0.70 4.25 -0.11 2.79 2.47 -1.26 0.01 119.74 128.59 1njk s LYS 6 Ca -0.09 0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 54.38 1njk s LYS 6 Cb -0.13 -3.50 -0.02 0.00 -1.46 0.00 0.00 37.83 32.72 1njk s LYS 6 CO 0.00 0.02 1.17 0.08 0.16 0.00 0.00 175.35 176.78 1njk s VAL 7 N 1.11 4.38 0.43 4.02 1.01 -0.03 -4.98 120.40 126.33 1njk s VAL 7 Ca 0.23 1.68 0.07 0.00 0.00 0.00 0.00 61.98 63.96 1njk s VAL 7 Cb -0.15 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1njk s VAL 7 CO 0.09 -0.06 0.30 -0.13 0.00 0.00 0.00 175.10 175.30 1njk s ARG 8 N 2.63 2.38 0.42 2.72 1.81 -1.26 -1.09 118.95 126.55 1njk s ARG 8 Ca 0.53 -1.72 0.10 0.00 -1.72 0.00 0.00 55.73 52.92 1njk s ARG 8 Cb -0.22 -2.18 0.92 0.00 -0.45 0.00 0.00 34.95 33.01 1njk s ARG 8 CO 0.18 -0.20 2.02 0.78 -0.68 0.00 0.00 175.30 177.40 1njk h GLY 9 N 1.17 0.61 1.77 -3.53 0.00 -1.97 -2.04 103.07 99.08 1njk h GLY 9 Ca -0.42 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1njk h GLY 9 CO 0.63 0.17 0.00 1.58 0.00 0.00 0.00 176.54 178.92 1njk n TYR 10 N -4.47 0.00 0.23 5.60 0.18 -1.26 -2.78 117.16 114.66 1njk n TYR 10 Ca 0.06 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.96 1njk n TYR 10 Cb 0.19 -0.38 0.09 0.00 -0.38 0.00 0.00 39.34 38.86 1njk n TYR 10 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1njk h HIS 11 N 0.00 0.00 -3.51 -3.48 3.86 -1.77 -3.47 115.15 106.78 1njk h HIS 11 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1njk h HIS 11 Cb 0.32 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1njk h HIS 11 CO 0.00 0.00 -0.03 -0.51 0.86 0.00 0.00 177.93 178.25 1njk s LEU 12 N -5.38 4.06 0.00 2.43 1.43 -1.12 -1.90 118.68 118.21 1njk s LEU 12 Ca 0.03 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1njk s LEU 12 Cb 0.09 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1njk s LEU 12 CO 0.74 -0.18 0.00 -0.90 0.23 0.00 0.00 176.35 176.24 1njk n ASP 13 N -0.54 1.15 0.21 2.29 5.68 -0.71 -4.80 116.55 119.83 1njk n ASP 13 Ca 0.01 -0.39 0.17 0.00 -0.50 0.00 0.00 54.79 54.09 1njk n ASP 13 Cb 0.53 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.26 1njk n ASP 13 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1njk h VAL 14 N 0.22 0.18 -0.24 2.12 3.04 -1.99 0.17 116.25 119.75 1njk h VAL 14 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1njk h VAL 14 Cb 0.00 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1njk h VAL 14 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1njk n TYR 15 N -3.27 0.30 -1.87 3.17 4.02 -1.26 -4.92 117.16 113.33 1njk n TYR 15 Ca 0.03 -0.15 -0.16 0.00 -0.01 0.00 0.00 57.90 57.61 1njk n TYR 15 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.82 1njk n TYR 15 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1njk n GLN 16 N 0.72 -1.18 -4.34 -0.72 6.02 0.05 -5.00 117.38 112.93 1njk n GLN 16 Ca 0.17 0.92 -0.22 0.00 -0.01 0.00 0.00 57.00 57.85 1njk n GLN 16 Cb 0.42 -5.19 -0.11 0.00 1.02 0.00 0.00 30.24 26.38 1njk n GLN 16 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1njk s HIS 17 N -2.69 1.87 0.30 1.08 3.76 -1.26 -4.51 115.29 113.84 1njk s HIS 17 Ca 0.00 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 1njk s HIS 17 Cb 0.00 -0.94 -0.12 0.00 1.11 0.00 0.00 32.58 32.63 1njk s HIS 17 CO 0.00 0.34 1.50 0.28 -0.85 0.00 0.00 174.74 176.01 1njk n VAL 18 N 0.33 1.28 -2.07 -0.90 0.31 -0.58 -1.74 118.33 114.96 1njk n VAL 18 Ca -0.13 -0.32 -0.39 0.00 -0.01 0.00 0.00 64.34 63.49 1njk n VAL 18 Cb 0.57 -1.81 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1njk n VAL 18 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1njk s ASN 19 N 0.25 6.21 0.26 4.52 2.47 -0.80 -4.80 114.94 123.05 1njk s ASN 19 Ca 0.62 2.61 -0.02 0.00 0.42 0.00 0.00 52.86 56.48 1njk s ASN 19 Cb -0.54 -2.63 0.53 0.00 -1.45 0.00 0.00 41.25 37.16 1njk s ASN 19 CO 0.53 -0.91 1.71 0.78 -3.72 0.00 0.00 177.10 175.48 1njk h ASN 20 N 2.50 0.21 -0.28 -4.21 2.35 -1.93 -1.45 115.58 112.76 1njk h ASN 20 Ca -0.50 0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 1njk h ASN 20 Cb 1.25 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 1njk h ASN 20 CO 0.62 0.04 -0.10 0.00 -1.65 0.00 0.00 177.43 176.34 1njk h ALA 21 N 1.61 1.09 -0.50 -0.83 0.00 -1.99 -3.09 119.26 115.55 1njk h ALA 21 Ca 0.45 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1njk h ALA 21 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1njk h ALA 21 CO -0.47 0.56 0.33 -0.09 0.00 0.00 0.00 179.25 179.59 1njk h ARG 22 N 0.63 0.64 -0.55 0.00 9.65 -1.62 -1.51 114.38 121.63 1njk h ARG 22 Ca 0.11 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 1njk h ARG 22 Cb 0.54 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 1njk h ARG 22 CO 0.03 0.42 0.36 1.88 2.80 0.00 0.00 179.97 185.47 1njk h TYR 23 N 0.66 0.53 0.00 2.20 -1.99 -1.49 -0.26 116.97 116.61 1njk h TYR 23 Ca 0.19 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.87 1njk h TYR 23 Cb -0.05 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 1njk h TYR 23 CO -0.00 0.29 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.10 1njk h LEU 24 N 0.53 0.00 -0.21 3.88 4.07 -1.41 -0.04 115.31 122.13 1njk h LEU 24 Ca 0.23 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 58.00 1njk h LEU 24 Cb 0.24 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.99 1njk h LEU 24 CO -0.06 0.28 -0.62 -0.33 -1.08 0.00 0.00 178.44 176.62 1njk h GLU 25 N 0.00 0.79 -0.60 1.13 5.08 -1.10 -1.21 114.58 118.67 1njk h GLU 25 Ca -0.00 -0.57 0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1njk h GLU 25 Cb 0.57 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1njk h GLU 25 CO 0.04 1.19 0.37 0.74 -1.00 0.00 0.00 179.01 180.35 1njk h PHE 26 N 0.54 0.69 -0.54 4.33 0.04 -0.60 0.78 116.94 122.17 1njk h PHE 26 Ca -0.02 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1njk h PHE 26 Cb 1.24 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 1njk h PHE 26 CO 0.08 0.40 0.06 -0.07 -0.60 0.00 0.00 178.31 178.18 1njk h LEU 27 N 0.73 0.88 -0.74 1.54 3.38 -0.97 -1.99 115.31 118.14 1njk h LEU 27 Ca 0.24 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1njk h LEU 27 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1njk h LEU 27 CO -0.10 0.93 0.11 -0.08 0.09 0.00 0.00 178.44 179.39 1njk h GLU 28 N 0.79 1.07 -0.56 1.13 4.81 -0.73 -2.08 114.58 119.01 1njk h GLU 28 Ca 0.16 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1njk h GLU 28 Cb 0.44 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1njk h GLU 28 CO 0.02 0.98 0.28 1.49 -0.73 0.00 0.00 179.01 181.05 1njk h GLU 29 N 1.00 0.53 -0.45 1.92 4.57 -0.64 0.01 114.58 121.53 1njk h GLU 29 Ca 0.20 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1njk h GLU 29 Cb 0.43 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1njk h GLU 29 CO 0.01 0.35 0.15 0.00 -1.18 0.00 0.00 179.01 178.34 1njk h ALA 30 N 1.31 1.43 -0.24 2.92 0.00 -0.92 -0.53 119.26 123.22 1njk h ALA 30 Ca 0.25 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1njk h ALA 30 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1njk h ALA 30 CO -0.18 0.42 -0.51 0.00 0.00 0.00 0.00 179.25 178.98 1njk h ARG 31 N 0.64 0.78 -0.30 0.00 3.08 -0.60 -1.94 114.38 116.03 1njk h ARG 31 Ca 0.15 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1njk h ARG 31 Cb 0.17 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1njk h ARG 31 CO -0.01 1.14 0.15 -1.49 -1.07 0.00 0.00 179.97 178.68 1njk h TRP 32 N 0.52 0.44 -0.74 3.04 4.06 -0.70 -0.32 115.95 122.26 1njk h TRP 32 Ca 0.01 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.02 1njk h TRP 32 Cb 1.12 -0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 29.08 1njk h TRP 32 CO 0.08 0.39 0.40 0.22 -3.56 0.00 0.00 178.44 175.98 1njk h ASP 33 N 0.36 0.56 0.42 -3.49 -0.00 -1.08 -2.81 116.42 110.38 1njk h ASP 33 Ca 0.10 0.05 -0.23 0.00 -0.00 0.00 0.00 57.03 56.95 1njk h ASP 33 Cb 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.39 1njk h ASP 33 CO -0.01 0.34 -0.99 1.23 -0.00 0.00 0.00 179.24 179.80 1njk h GLY 34 N 0.70 0.40 -6.19 -0.78 0.00 -1.08 -3.37 103.07 92.75 1njk h GLY 34 Ca 0.35 -0.75 -0.72 0.00 0.00 0.00 0.00 47.33 46.21 1njk h GLY 34 CO -0.24 0.66 0.32 1.04 0.00 0.00 0.00 176.54 178.33 1njk n LEU 35 N -3.69 5.89 0.00 3.11 7.99 -0.15 -4.46 117.00 125.69 1njk n LEU 35 Ca -0.07 -5.43 0.00 0.00 -0.01 0.00 0.00 56.01 50.51 1njk n LEU 35 Cb 0.87 -0.97 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1njk n LEU 35 CO 0.51 2.03 -0.21 -1.84 -1.51 0.00 0.00 177.39 176.38 1njk n GLU 36 N 0.39 0.42 -0.00 3.23 0.28 -1.20 -4.81 120.64 118.94 1njk n GLU 36 Ca 0.35 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.44 1njk n GLU 36 Cb 0.33 -0.71 -0.11 0.00 1.43 0.00 0.00 31.44 32.38 1njk n GLU 36 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1njk n ASN 37 N -1.72 0.86 -4.23 -1.84 5.03 -1.26 -4.98 115.26 107.11 1njk n ASN 37 Ca 0.00 -0.86 -0.30 0.00 0.87 0.00 0.00 54.58 54.30 1njk n ASN 37 Cb 0.21 1.08 0.22 0.00 -1.02 0.00 0.00 39.78 40.27 1njk n ASN 37 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1njk n SER 38 N -1.51 -2.37 -0.09 6.41 3.41 -1.26 -4.99 113.62 113.21 1njk n SER 38 Ca 0.03 -0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.24 1njk n SER 38 Cb 0.31 -1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.12 1njk n SER 38 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1njk h ASP 39 N -2.53 0.00 -0.60 4.04 3.32 -1.94 -3.39 116.42 115.31 1njk h ASP 39 Ca -0.55 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 56.24 1njk h ASP 39 Cb 1.32 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 1njk h ASP 39 CO 0.41 1.20 0.40 -1.28 -1.72 0.00 0.00 179.24 178.25 1njk h SER 40 N -1.00 0.51 -0.53 6.45 0.87 -1.78 -1.61 113.55 116.46 1njk h SER 40 Ca -0.21 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1njk h SER 40 Cb 0.99 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1njk h SER 40 CO -0.13 0.34 0.36 0.15 -0.53 0.00 0.00 176.83 177.01 1njk h PHE 41 N 0.58 0.38 -0.12 2.24 3.04 -1.90 0.83 116.94 121.99 1njk h PHE 41 Ca 0.26 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 62.02 1njk h PHE 41 Cb 0.27 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1njk h PHE 41 CO -0.00 0.19 -0.75 1.96 -2.02 0.00 0.00 178.31 177.70 1njk h GLN 42 N 0.37 0.61 -2.26 1.11 1.08 -1.49 -3.29 115.11 111.24 1njk h GLN 42 Ca 0.24 -0.49 -0.04 0.00 -1.45 0.00 0.00 58.65 56.91 1njk h GLN 42 Cb 0.47 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1njk h GLN 42 CO -0.06 1.11 0.04 0.91 -0.95 0.00 0.00 178.83 179.88 1njk n TRP 43 N -3.89 0.00 0.00 2.96 7.02 0.28 -2.57 117.44 121.24 1njk n TRP 43 Ca -0.06 -0.58 0.00 0.00 -1.02 0.00 0.00 57.50 55.84 1njk n TRP 43 Cb 0.72 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 1njk n TRP 43 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1njk n THR 45 N 2.26 0.00 -0.11 -0.99 -1.04 -1.24 -2.80 114.28 110.36 1njk n THR 45 Ca 0.10 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.19 1njk n THR 45 Cb 0.33 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.27 1njk n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1njk h ALA 46 N 0.00 1.83 -0.53 2.41 0.00 -1.82 0.14 119.26 121.29 1njk h ALA 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1njk h ALA 46 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1njk h ALA 46 CO 0.00 0.06 0.00 0.72 0.00 0.00 0.00 179.25 180.03 1njk n HIS 47 N -4.48 1.16 -2.86 0.00 8.25 -1.12 -4.92 115.22 111.24 1njk n HIS 47 Ca 0.09 -0.47 -0.21 0.00 -0.26 0.00 0.00 57.72 56.87 1njk n HIS 47 Cb 0.26 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.20 1njk n HIS 47 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1njk n ASN 48 N 0.92 -5.48 -4.79 0.41 5.15 0.49 -4.90 115.26 107.05 1njk n ASN 48 Ca 0.21 -0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.71 1njk n ASN 48 Cb 0.71 -4.49 -0.06 0.00 -0.53 0.00 0.00 39.78 35.41 1njk n ASN 48 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1njk s ILE 49 N -3.05 4.57 0.01 -1.44 1.01 -1.26 -0.66 121.20 120.38 1njk s ILE 49 Ca 0.21 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1njk s ILE 49 Cb -0.10 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1njk s ILE 49 CO 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 174.94 175.23 1njk s ALA 50 N -1.54 0.05 -0.02 9.38 0.00 -1.11 -3.94 121.76 124.58 1njk s ALA 50 Ca 0.30 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.61 1njk s ALA 50 Cb -0.11 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1njk s ALA 50 CO 0.23 -0.11 0.89 -0.06 0.00 0.00 0.00 175.76 176.71 1njk s PHE 51 N -1.00 3.64 -0.09 0.00 0.08 -1.26 -1.53 117.98 117.82 1njk s PHE 51 Ca -0.11 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 1njk s PHE 51 Cb -0.07 -3.02 0.03 0.00 -0.57 0.00 0.00 43.02 39.39 1njk s PHE 51 CO -0.01 0.03 -0.04 0.08 -0.10 0.00 0.00 175.22 175.18 1njk s VAL 52 N 0.90 0.73 -0.01 -0.44 1.01 -0.54 -4.98 120.40 117.06 1njk s VAL 52 Ca 0.47 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1njk s VAL 52 Cb -0.20 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1njk s VAL 52 CO 0.25 0.31 1.01 -0.69 0.00 0.00 0.00 175.10 175.98 1njk s VAL 53 N 1.69 4.76 -0.01 2.92 1.01 -1.26 -0.98 120.40 128.52 1njk s VAL 53 Ca 0.02 1.99 0.10 0.00 0.00 0.00 0.00 61.98 64.09 1njk s VAL 53 Cb -0.13 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.82 1njk s VAL 53 CO -0.06 0.13 0.22 1.33 0.00 0.00 0.00 175.10 176.72 1njk n VAL 54 N 4.02 0.01 -3.71 2.92 0.24 0.71 -4.97 118.33 117.55 1njk n VAL 54 Ca 0.07 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1njk n VAL 54 Cb 0.50 0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 33.04 1njk n VAL 54 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1njk s ASN 55 N -3.16 -0.50 -0.10 -1.34 3.84 -1.01 -5.01 114.94 107.66 1njk s ASN 55 Ca -0.04 0.96 0.01 0.00 0.21 0.00 0.00 52.86 54.00 1njk s ASN 55 Cb 0.06 0.96 0.02 0.00 -0.55 0.00 0.00 41.25 41.74 1njk s ASN 55 CO 0.41 -0.17 -0.11 -0.63 -2.79 0.00 0.00 177.10 173.82 1njk s ILE 56 N 0.38 1.15 -0.31 -5.21 1.01 -1.26 -0.71 121.20 116.24 1njk s ILE 56 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1njk s ILE 56 Cb -0.04 -1.10 0.09 0.00 0.01 0.00 0.00 42.46 41.42 1njk s ILE 56 CO -0.01 0.38 0.02 0.21 0.00 0.00 0.00 174.94 175.53 1njk s ASN 57 N 1.20 4.52 -0.09 3.58 3.04 -0.77 -4.99 114.94 121.43 1njk s ASN 57 Ca -0.04 -1.86 0.04 0.00 0.04 0.00 0.00 52.86 51.04 1njk s ASN 57 Cb -0.14 -1.47 -0.01 0.00 -1.54 0.00 0.00 41.25 38.09 1njk s ASN 57 CO -0.03 -0.34 -0.20 -0.51 -3.04 0.00 0.00 177.10 172.99 1njk s ILE 58 N 1.08 2.48 -0.23 -5.21 2.07 -1.26 -1.28 121.20 118.84 1njk s ILE 58 Ca 0.06 -0.89 -0.10 0.00 -1.41 0.00 0.00 60.65 58.30 1njk s ILE 58 Cb -0.19 -1.97 -0.05 0.00 0.13 0.00 0.00 42.46 40.39 1njk s ILE 58 CO -0.09 0.56 0.14 0.20 -1.91 0.00 0.00 174.94 173.83 1njk s ASN 59 N 0.01 5.96 -0.44 4.50 0.01 0.60 -4.98 114.94 120.60 1njk s ASN 59 Ca -0.07 0.08 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 1njk s ASN 59 Cb -0.15 -2.07 0.06 0.00 0.41 0.00 0.00 41.25 39.50 1njk s ASN 59 CO 0.05 0.07 0.33 -0.31 -1.51 0.00 0.00 177.10 175.73 1njk s TYR 60 N 1.03 3.26 -0.11 2.20 1.51 -1.26 -2.26 117.35 121.71 1njk s TYR 60 Ca 0.07 -0.98 -0.12 0.00 -1.01 0.00 0.00 57.07 55.03 1njk s TYR 60 Cb -0.14 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1njk s TYR 60 CO 0.04 -0.75 -0.23 0.54 -1.11 0.00 0.00 175.55 174.04 1njk n ARG 61 N 5.12 0.35 -3.97 -0.62 1.74 -0.39 -4.95 116.66 113.94 1njk n ARG 61 Ca -0.12 0.14 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 1njk n ARG 61 Cb 0.44 -1.10 -0.15 0.00 -1.02 0.00 0.00 32.46 30.64 1njk n ARG 61 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1njk s ARG 62 N -2.31 3.24 0.23 5.56 3.52 -0.72 -5.02 118.95 123.45 1njk s ARG 62 Ca -0.19 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.41 1njk s ARG 62 Cb 0.03 -2.89 -0.10 0.00 -1.56 0.00 0.00 34.95 30.42 1njk s ARG 62 CO 0.28 -0.21 1.50 -1.25 -0.81 0.00 0.00 175.30 174.81 1njk s PRO 63 N 1.42 4.23 0.18 5.12 0.04 -1.26 -4.43 135.00 140.30 1njk s PRO 63 Ca 0.05 2.35 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1njk s PRO 63 Cb -0.14 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 1njk s PRO 63 CO -0.06 -0.50 0.96 0.00 0.04 0.00 0.00 177.00 177.44 1njk s ALA 64 N 0.32 3.30 0.43 8.56 0.00 -1.26 -4.95 121.76 128.16 1njk s ALA 64 Ca 0.63 0.62 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1njk s ALA 64 Cb -0.43 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1njk s ALA 64 CO 0.40 0.07 0.02 0.14 0.00 0.00 0.00 175.76 176.40 1njk s VAL 65 N -0.61 1.56 0.15 0.00 -7.23 -1.26 -1.53 120.40 111.49 1njk s VAL 65 Ca 0.44 -2.00 -0.34 0.00 -1.81 0.00 0.00 61.98 58.27 1njk s VAL 65 Cb -0.25 -2.68 -0.16 0.00 0.56 0.00 0.00 36.38 33.85 1njk s VAL 65 CO 0.31 0.00 1.26 -0.11 -0.31 0.00 0.00 175.10 176.26 1njk n LEU 66 N -1.02 1.80 0.00 1.32 7.94 -1.26 -1.79 117.00 123.99 1njk n LEU 66 Ca -0.09 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1njk n LEU 66 Cb 0.67 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.38 1njk n LEU 66 CO 0.44 -1.09 0.00 -1.20 -1.11 0.00 0.00 177.39 174.43 1njk n SER 67 N 2.26 0.00 -4.77 1.96 7.64 -0.25 -5.01 113.62 115.46 1njk n SER 67 Ca 0.16 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.63 1njk n SER 67 Cb 0.24 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1njk n SER 67 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1njk s ASP 68 N -3.30 6.46 -0.39 6.43 1.01 -0.74 -4.67 116.67 121.47 1njk s ASP 68 Ca 0.00 2.92 -0.13 0.00 0.71 0.00 0.00 52.55 56.05 1njk s ASP 68 Cb 0.00 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1njk s ASP 68 CO 0.00 -0.81 0.25 -0.22 0.21 0.00 0.00 175.17 174.60 1njk s LEU 69 N -1.41 4.89 0.04 1.23 2.96 -1.26 -0.85 118.68 124.27 1njk s LEU 69 Ca 0.56 -0.95 -0.19 0.00 -0.22 0.00 0.00 54.13 53.33 1njk s LEU 69 Cb -0.45 -2.08 -0.06 0.00 0.50 0.00 0.00 46.19 44.09 1njk s LEU 69 CO 0.55 -0.41 0.54 -0.76 -1.32 0.00 0.00 176.35 174.95 1njk s LEU 70 N 1.61 4.49 -0.19 -0.68 1.43 0.10 -4.44 118.68 121.00 1njk s LEU 70 Ca 0.03 1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1njk s LEU 70 Cb -0.19 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1njk s LEU 70 CO 0.08 0.24 -0.05 -0.89 0.23 0.00 0.00 176.35 175.96 1njk s THR 71 N -0.88 3.48 -0.25 5.49 2.01 -0.02 -0.86 115.64 124.61 1njk s THR 71 Ca 0.28 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1njk s THR 71 Cb -0.19 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1njk s THR 71 CO 0.17 0.46 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.91 1njk s ILE 72 N 1.00 3.32 -0.20 1.82 1.01 0.10 -0.90 121.20 127.35 1njk s ILE 72 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1njk s ILE 72 Cb -0.15 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1njk s ILE 72 CO 0.00 0.25 -0.06 -0.89 0.00 0.00 0.00 174.94 174.25 1njk s THR 73 N 1.42 3.34 0.04 2.92 2.01 -0.08 -1.54 115.64 123.75 1njk s THR 73 Ca 0.03 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.60 1njk s THR 73 Cb -0.16 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1njk s THR 73 CO -0.02 0.44 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.66 1njk s SER 74 N 1.25 3.28 -0.12 3.53 0.01 -1.26 -0.93 113.70 119.46 1njk s SER 74 Ca 0.03 -0.54 -0.21 0.00 1.31 0.00 0.00 55.95 56.54 1njk s SER 74 Cb -0.14 -0.36 0.05 0.00 0.21 0.00 0.00 66.02 65.78 1njk s SER 74 CO -0.02 0.27 0.52 0.00 0.41 0.00 0.00 173.24 174.42 1njk s GLN 75 N -1.19 0.74 -0.01 12.44 -2.07 -0.37 -2.34 119.66 126.86 1njk s GLN 75 Ca 0.12 0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 53.78 1njk s GLN 75 Cb -0.10 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1njk s GLN 75 CO 0.02 -0.16 1.37 -1.17 -1.32 0.00 0.00 175.29 174.03 1njk s LEU 76 N -0.43 4.31 -0.11 2.60 2.96 -1.26 -0.70 118.68 126.05 1njk s LEU 76 Ca -0.06 2.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.82 1njk s LEU 76 Cb -0.03 -3.56 -0.27 0.00 0.50 0.00 0.00 46.19 42.83 1njk s LEU 76 CO 0.04 -0.70 0.44 -0.61 -1.32 0.00 0.00 176.35 174.20 1njk h GLN 77 N 7.77 0.26 -2.33 1.98 4.15 -0.80 -3.47 115.11 122.66 1njk h GLN 77 Ca -0.37 -0.45 0.06 0.00 0.77 0.00 0.00 58.65 58.66 1njk h GLN 77 Cb 1.18 0.17 -0.16 0.00 0.21 0.00 0.00 27.48 28.88 1njk h GLN 77 CO 0.90 1.21 0.41 -1.14 -1.93 0.00 0.00 178.83 178.28 1njk s GLN 78 N -2.53 0.92 -0.19 1.69 0.74 -1.07 -4.99 119.66 114.23 1njk s GLN 78 Ca -0.21 -0.24 -0.02 0.00 0.05 0.00 0.00 55.36 54.94 1njk s GLN 78 Cb 0.06 0.43 0.06 0.00 1.10 0.00 0.00 33.01 34.65 1njk s GLN 78 CO 0.77 -0.38 0.01 -0.51 -0.55 0.00 0.00 175.29 174.63 1njk s LEU 79 N -2.26 1.44 0.00 3.68 1.43 -1.26 -1.06 118.68 120.64 1njk s LEU 79 Ca 0.02 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1njk s LEU 79 Cb -0.01 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1njk s LEU 79 CO -0.07 -0.28 0.00 0.59 0.23 0.00 0.00 176.35 176.82 1njk n ASN 80 N 4.97 0.00 -0.08 2.29 3.02 0.49 -5.01 115.26 120.94 1njk n ASN 80 Ca -0.10 -0.28 -0.07 0.00 -0.03 0.00 0.00 54.58 54.11 1njk n ASN 80 Cb 0.47 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 1njk n ASN 80 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1njk h GLY 81 N 0.00 0.19 -0.45 7.41 0.00 -1.98 -3.36 103.07 104.88 1njk h GLY 81 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1njk h GLY 81 CO 0.00 -0.13 -0.22 0.28 0.00 0.00 0.00 176.54 176.47 1njk n LYS 82 N -5.27 0.10 -3.79 4.80 5.02 -1.26 0.35 118.16 118.12 1njk n LYS 82 Ca 0.00 -0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 55.39 1njk n LYS 82 Cb 0.19 -0.53 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 1njk n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1njk s SER 83 N -0.53 -0.06 0.23 4.39 1.04 -1.26 -4.52 113.70 112.99 1njk s SER 83 Ca 0.01 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.20 1njk s SER 83 Cb 0.01 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1njk s SER 83 CO 0.00 -0.61 -0.03 -0.83 0.98 0.00 0.00 173.24 172.75 1njk s GLY 84 N -2.15 1.54 -0.09 7.32 0.00 0.04 -0.38 107.32 113.60 1njk s GLY 84 Ca -0.04 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.92 1njk s GLY 84 CO -0.04 -1.69 -0.06 -0.42 0.00 0.00 0.00 173.10 170.89 1njk s ILE 85 N -3.34 0.85 -0.16 0.90 1.01 -0.22 -1.20 121.20 119.03 1njk s ILE 85 Ca 0.27 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 1njk s ILE 85 Cb 0.05 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1njk s ILE 85 CO 0.08 0.33 0.01 -0.22 0.00 0.00 0.00 174.94 175.14 1njk s LEU 86 N 1.58 3.54 -0.11 2.97 2.96 0.10 -0.04 118.68 129.67 1njk s LEU 86 Ca 0.01 -0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.81 1njk s LEU 86 Cb -0.13 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1njk s LEU 86 CO -0.05 0.19 0.23 -0.55 -1.32 0.00 0.00 176.35 174.85 1njk s SER 87 N 0.26 6.47 -0.07 3.68 0.15 0.12 0.53 113.70 124.85 1njk s SER 87 Ca 0.01 0.55 -0.01 0.00 0.70 0.00 0.00 55.95 57.20 1njk s SER 87 Cb -0.13 -2.14 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 1njk s SER 87 CO 0.02 0.28 -0.01 -1.10 1.20 0.00 0.00 173.24 173.63 1njk s GLN 88 N -0.48 0.69 -0.10 5.44 -0.21 -0.27 -1.24 119.66 123.49 1njk s GLN 88 Ca 0.16 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.63 1njk s GLN 88 Cb -0.13 -0.96 0.00 0.00 1.00 0.00 0.00 33.01 32.92 1njk s GLN 88 CO 0.05 -0.25 -0.24 0.08 -2.12 0.00 0.00 175.29 172.81 1njk s VAL 89 N 1.71 2.07 -0.24 1.09 1.01 -0.11 -0.39 120.40 125.54 1njk s VAL 89 Ca 0.01 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1njk s VAL 89 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1njk s VAL 89 CO -0.04 0.56 0.06 -0.63 0.00 0.00 0.00 175.10 175.04 1njk s ILE 90 N 0.38 4.23 0.24 2.22 1.01 0.12 -0.90 121.20 128.50 1njk s ILE 90 Ca -0.18 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1njk s ILE 90 Cb -0.18 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1njk s ILE 90 CO 0.08 0.36 -0.00 0.42 0.00 0.00 0.00 174.94 175.79 1njk s THR 91 N 1.52 1.07 -0.29 2.92 -4.23 -0.08 -0.07 115.64 116.48 1njk s THR 91 Ca 0.06 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1njk s THR 91 Cb -0.15 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1njk s THR 91 CO 0.03 -0.30 0.13 -0.76 -0.54 0.00 0.00 174.62 173.18 1njk s LEU 92 N -3.32 3.92 0.13 4.79 1.43 -0.54 -0.84 118.68 124.25 1njk s LEU 92 Ca 0.29 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1njk s LEU 92 Cb 0.06 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1njk s LEU 92 CO 0.09 -0.14 0.13 -1.61 0.23 0.00 0.00 176.35 175.05 1njk s GLU 93 N 1.62 2.95 0.00 1.70 0.41 -1.26 0.11 118.70 124.22 1njk s GLU 93 Ca 0.05 -0.78 0.29 0.00 -0.41 0.00 0.00 54.97 54.12 1njk s GLU 93 Cb -0.16 -2.71 1.19 0.00 -1.78 0.00 0.00 34.13 30.67 1njk s GLU 93 CO 0.06 0.52 1.85 -0.35 -0.49 0.00 0.00 175.26 176.85 1njk n PRO 94 N -0.09 0.40 -0.31 0.39 -0.04 -1.26 -4.85 135.00 129.24 1njk n PRO 94 Ca -0.08 -0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 1njk n PRO 94 Cb 0.54 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 1njk n PRO 94 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1njk h GLU 95 N 0.26 0.77 0.00 0.54 3.07 -2.01 -3.46 114.58 113.75 1njk h GLU 95 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1njk h GLU 95 Cb 0.39 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1njk h GLU 95 CO 0.00 0.51 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 1njk n GLY 96 N -1.33 0.78 3.77 -3.84 0.00 0.30 -5.04 105.19 99.82 1njk n GLY 96 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1njk n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1njk s GLN 97 N -0.56 4.16 -0.34 1.61 1.11 -1.17 -4.69 119.66 119.77 1njk s GLN 97 Ca 0.00 2.50 -0.21 0.00 0.01 0.00 0.00 55.36 57.66 1njk s GLN 97 Cb 0.00 -3.00 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 1njk s GLN 97 CO 0.00 -0.48 0.67 0.08 0.01 0.00 0.00 175.29 175.56 1njk s VAL 98 N -0.94 4.87 -0.12 1.09 1.01 -1.26 -1.46 120.40 123.59 1njk s VAL 98 Ca 0.54 0.71 -0.28 0.00 0.00 0.00 0.00 61.98 62.95 1njk s VAL 98 Cb -0.45 -4.09 -0.26 0.00 0.00 0.00 0.00 36.38 31.58 1njk s VAL 98 CO 0.59 -0.30 0.82 0.58 0.00 0.00 0.00 175.10 176.79 1njk h VAL 99 N 5.66 1.73 -2.72 2.92 2.07 -0.69 -3.12 116.25 122.10 1njk h VAL 99 Ca -0.26 -2.29 0.06 0.00 0.82 0.00 0.00 66.70 65.03 1njk h VAL 99 Cb 1.11 3.28 -0.11 0.00 -1.52 0.00 0.00 31.29 34.05 1njk h VAL 99 CO 0.84 0.60 0.33 0.00 0.02 0.00 0.00 177.57 179.36 1njk s ALA 100 N -2.39 -1.60 -0.03 1.67 0.00 -1.09 -1.27 121.76 117.05 1njk s ALA 100 Ca -0.18 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 1njk s ALA 100 Cb -0.02 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1njk s ALA 100 CO 0.71 -0.83 0.36 0.16 0.00 0.00 0.00 175.76 176.16 1njk s ASP 101 N -2.73 -0.27 0.04 0.00 -4.77 -0.96 0.16 116.67 108.14 1njk s ASP 101 Ca 0.05 0.24 -0.12 0.00 -3.30 0.00 0.00 52.55 49.43 1njk s ASP 101 Cb -0.02 0.40 0.01 0.00 -1.09 0.00 0.00 42.92 42.22 1njk s ASP 101 CO -0.07 -0.43 0.26 0.00 0.70 0.00 0.00 175.17 175.63 1njk s ALA 102 N -1.12 -0.56 -0.19 2.11 0.00 0.47 -0.29 121.76 122.18 1njk s ALA 102 Ca -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1njk s ALA 102 Cb -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1njk s ALA 102 CO 0.04 -0.37 -0.06 -0.51 0.00 0.00 0.00 175.76 174.86 1njk s LEU 103 N -1.98 2.92 -0.36 0.00 1.43 -0.41 -1.11 118.68 119.17 1njk s LEU 103 Ca -0.06 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1njk s LEU 103 Cb -0.02 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1njk s LEU 103 CO -0.03 0.06 0.16 -0.63 0.23 0.00 0.00 176.35 176.14 1njk s ILE 104 N 0.99 4.08 -0.17 -0.59 1.09 0.19 -1.85 121.20 124.93 1njk s ILE 104 Ca -0.00 -1.09 -0.18 0.00 -1.10 0.00 0.00 60.65 58.28 1njk s ILE 104 Cb -0.15 -3.33 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 1njk s ILE 104 CO 0.00 -0.24 0.49 -0.89 -0.10 0.00 0.00 174.94 174.20 1njk s THR 105 N 1.45 5.14 0.22 2.92 2.01 0.11 -0.72 115.64 126.77 1njk s THR 105 Ca 0.00 0.93 0.03 0.00 0.31 0.00 0.00 61.69 62.96 1njk s THR 105 Cb -0.20 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1njk s THR 105 CO 0.04 0.23 0.01 0.72 -0.69 0.00 0.00 174.62 174.93 1njk s PHE 106 N 1.29 1.47 0.14 4.92 -0.12 -0.34 -0.21 117.98 125.13 1njk s PHE 106 Ca 0.24 -0.98 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 1njk s PHE 106 Cb -0.15 -0.85 -0.04 0.00 -0.63 0.00 0.00 43.02 41.34 1njk s PHE 106 CO 0.10 -0.12 0.02 0.54 -0.05 0.00 0.00 175.22 175.71 1njk s VAL 107 N -3.52 0.38 -0.30 -2.49 0.11 -0.15 -0.78 120.40 113.65 1njk s VAL 107 Ca 0.28 -1.94 0.01 0.00 -2.93 0.00 0.00 61.98 57.41 1njk s VAL 107 Cb 0.06 -2.04 0.06 0.00 -1.53 0.00 0.00 36.38 32.93 1njk s VAL 107 CO 0.08 -0.51 -0.02 0.00 -3.33 0.00 0.00 175.10 171.32 1njk s ILE 109 N 1.14 4.09 -0.13 0.00 -4.36 -0.58 -0.51 121.20 120.86 1njk s ILE 109 Ca -0.04 -1.28 -0.29 0.00 -0.26 0.00 0.00 60.65 58.78 1njk s ILE 109 Cb -0.20 -3.44 -0.06 0.00 1.25 0.00 0.00 42.46 40.02 1njk s ILE 109 CO -0.04 -0.38 1.92 1.51 0.24 0.00 0.00 174.94 178.19 1njk s ASP 110 N 1.81 6.13 0.00 4.36 3.84 -1.24 -2.76 116.67 128.81 1njk s ASP 110 Ca 0.02 2.08 0.00 0.00 -0.00 0.00 0.00 52.55 54.65 1njk s ASP 110 Cb -0.21 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 38.80 1njk s ASP 110 CO 0.03 -1.40 0.69 0.18 -0.00 0.00 0.00 175.17 174.67 1njk n LEU 111 N 9.10 0.00 0.06 2.11 4.77 0.16 -0.13 117.00 133.07 1njk n LEU 111 Ca 0.22 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1njk n LEU 111 Cb 0.44 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1njk n LEU 111 CO 0.66 -0.23 0.50 0.11 -1.33 0.00 0.00 177.39 177.10 1njk h LYS 112 N 0.00 -0.19 -0.02 3.23 1.57 -1.86 -3.28 116.57 116.02 1njk h LYS 112 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1njk h LYS 112 Cb 0.23 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1njk h LYS 112 CO 0.00 -0.13 -0.20 -2.37 -0.57 0.00 0.00 179.45 176.18 1njk n THR 113 N -2.91 0.00 -3.59 -0.16 5.66 -0.88 -4.99 114.28 107.41 1njk n THR 113 Ca -0.02 -0.40 -0.20 0.00 -3.05 0.00 0.00 64.05 60.37 1njk n THR 113 Cb 0.09 1.28 0.05 0.00 -1.55 0.00 0.00 70.33 70.20 1njk n THR 113 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1njk n GLN 114 N 0.39 -4.69 -3.80 1.09 7.27 0.81 -5.00 117.38 113.45 1njk n GLN 114 Ca 0.09 0.69 -0.13 0.00 0.07 0.00 0.00 57.00 57.72 1njk n GLN 114 Cb 0.40 -5.32 -0.12 0.00 2.41 0.00 0.00 30.24 27.61 1njk n GLN 114 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1njk s LYS 115 N -5.66 0.22 0.01 3.69 1.02 -1.25 -4.97 119.74 112.81 1njk s LYS 115 Ca 0.09 0.28 -0.38 0.00 0.02 0.00 0.00 55.97 55.98 1njk s LYS 115 Cb -0.02 0.10 -0.17 0.00 -0.52 0.00 0.00 37.83 37.22 1njk s LYS 115 CO 0.79 -0.03 1.39 0.00 -0.92 0.00 0.00 175.35 176.57 1njk n ALA 116 N 3.05 -1.08 -2.80 5.17 0.00 -1.26 -3.70 120.51 119.89 1njk n ALA 116 Ca -0.13 0.50 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 1njk n ALA 116 Cb 0.58 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 1njk n ALA 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1njk s LEU 117 N 0.97 4.36 0.22 0.00 1.43 0.34 -4.97 118.68 121.02 1njk s LEU 117 Ca 0.87 0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 54.15 1njk s LEU 117 Cb -1.01 -2.75 -0.11 0.00 0.03 0.00 0.00 46.19 42.36 1njk s LEU 117 CO 0.51 0.23 1.56 0.00 0.23 0.00 0.00 176.35 178.88 1njk s ALA 118 N -1.36 3.75 -1.33 4.21 0.00 -1.26 -4.61 121.76 121.15 1njk s ALA 118 Ca 0.29 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1njk s ALA 118 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1njk s ALA 118 CO 0.18 -0.84 0.62 1.28 0.00 0.00 0.00 175.76 177.01 1njk n LEU 119 N 3.09 0.62 -0.00 0.00 4.77 0.16 -2.27 117.00 123.36 1njk n LEU 119 Ca 0.11 -0.31 0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1njk n LEU 119 Cb 0.38 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1njk n LEU 119 CO 0.62 0.16 -0.22 1.21 -1.33 0.00 0.00 177.39 177.82 1njk n GLU 120 N -0.14 0.62 -0.67 3.23 2.13 -1.26 -2.90 120.64 121.65 1njk n GLU 120 Ca 0.00 -0.05 -0.13 0.00 0.66 0.00 0.00 57.16 57.65 1njk n GLU 120 Cb 0.16 -1.43 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 1njk n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1njk n GLY 121 N 1.43 2.55 2.87 8.31 0.00 -0.96 -4.44 105.19 114.96 1njk n GLY 121 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 1njk n GLY 121 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1njk n GLU 122 N 3.19 -1.78 0.03 1.61 1.02 -1.26 -4.84 120.64 118.60 1njk n GLU 122 Ca 0.33 0.58 -0.10 0.00 -0.02 0.00 0.00 57.16 57.95 1njk n GLU 122 Cb 0.41 -4.96 -0.08 0.00 -0.02 0.00 0.00 31.44 26.79 1njk n GLU 122 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1njk h LEU 123 N 0.00 -0.15 -1.93 -4.62 3.38 -1.78 -3.22 115.31 106.99 1njk h LEU 123 Ca -0.06 -0.39 0.31 0.00 0.09 0.00 0.00 57.88 57.82 1njk h LEU 123 Cb 0.98 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1njk h LEU 123 CO 0.09 0.44 0.81 0.03 0.09 0.00 0.00 178.44 179.90 1njk h ARG 124 N -0.87 0.00 0.19 1.13 3.08 -1.85 0.63 114.38 116.69 1njk h ARG 124 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1njk h ARG 124 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1njk h ARG 124 CO 0.03 0.00 -0.09 1.49 -1.07 0.00 0.00 179.97 180.33 1njk h GLU 125 N 0.00 -0.25 -0.17 0.04 4.81 -1.88 -1.61 114.58 115.52 1njk h GLU 125 Ca 0.50 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1njk h GLU 125 Cb 2.12 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.54 1njk h GLU 125 CO -0.01 -0.16 -0.19 1.57 -0.73 0.00 0.00 179.01 179.49 1njk h LYS 126 N -0.29 0.30 0.82 1.92 2.10 -1.38 -2.63 116.57 117.40 1njk h LYS 126 Ca -0.03 -0.09 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 1njk h LYS 126 Cb 0.20 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1njk h LYS 126 CO 0.04 0.48 -0.42 -0.07 -2.00 0.00 0.00 179.45 177.48 1njk h LEU 127 N 0.27 -1.03 -1.02 7.07 3.38 0.20 -2.56 115.31 121.62 1njk h LEU 127 Ca 0.05 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.19 1njk h LEU 127 Cb 0.49 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1njk h LEU 127 CO 0.03 -0.70 0.63 -0.33 0.09 0.00 0.00 178.44 178.16 1njk h GLU 128 N -1.14 0.93 -2.48 1.13 5.08 -1.27 -2.29 114.58 114.54 1njk h GLU 128 Ca -0.11 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 57.62 1njk h GLU 128 Cb 0.89 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1njk h GLU 128 CO 0.16 0.61 1.87 0.94 -1.00 0.00 0.00 179.01 181.60 1njk n GLN 129 N -4.63 3.45 0.00 2.33 7.27 -0.97 -4.66 117.38 120.17 1njk n GLN 129 Ca 0.19 -2.47 0.00 0.00 0.07 0.00 0.00 57.00 54.79 1njk n GLN 129 Cb 0.39 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.58 1njk n GLN 129 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1njk n VAL 131 N 2.15 0.00 -1.09 1.69 3.14 -0.87 -4.23 118.33 119.13 1njk n VAL 131 Ca 0.60 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.98 1njk n VAL 131 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1njk n VAL 131 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54