#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n HIS 3 N 0.00 -0.88 0.00 2.89 8.25 -1.26 -4.61 115.22 119.62 3kni n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kni n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kni n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3kni n LEU 4 N 0.00 0.00 -0.42 2.41 -0.00 -1.26 -4.83 117.00 112.90 3kni n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3kni n LEU 4 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 3kni n LEU 4 CO 0.00 0.00 0.04 0.29 -0.00 0.00 0.00 177.39 177.72 3kni n LYS 5 N -1.97 0.13 -4.35 1.96 4.01 -1.26 -4.77 118.16 111.91 3kni n LYS 5 Ca 0.00 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.53 3kni n LYS 5 Cb 0.00 -1.05 -0.06 0.00 -0.51 0.00 0.00 35.03 33.40 3kni n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3kni n SER 6 N 0.29 2.58 -4.62 4.39 3.41 -1.26 -5.10 113.62 113.30 3kni n SER 6 Ca 0.00 -3.00 -0.43 0.00 -0.26 0.00 0.00 58.87 55.18 3kni n SER 6 Cb 0.03 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3kni n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kni s GLY 7 N -3.45 1.12 0.00 5.00 0.00 -1.26 -4.92 107.32 103.81 3kni s GLY 7 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3kni s GLY 7 CO 0.04 3.04 0.00 0.54 0.00 0.00 0.00 173.10 176.73 3kni n ARG 8 N 7.86 0.00 -1.37 2.90 5.12 -1.26 -4.97 116.66 124.94 3kni n ARG 8 Ca 0.19 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.74 3kni n ARG 8 Cb 0.46 -0.03 0.05 0.00 -1.16 0.00 0.00 32.46 31.78 3kni n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3kni n LYS 9 N -0.17 0.42 -3.67 5.56 2.85 -1.26 -5.06 118.16 116.83 3kni n LYS 9 Ca 0.00 0.17 -0.10 0.00 -1.05 0.00 0.00 58.31 57.33 3kni n LYS 9 Cb 0.00 -1.75 -0.09 0.00 -0.65 0.00 0.00 35.03 32.54 3kni n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kni s LEU 10 N 0.40 -0.45 -0.07 -5.58 1.43 -1.26 -5.10 118.68 108.05 3kni s LEU 10 Ca 0.67 1.21 0.10 0.00 -1.03 0.00 0.00 54.13 55.08 3kni s LEU 10 Cb -0.40 1.92 0.16 0.00 0.03 0.00 0.00 46.19 47.91 3kni s LEU 10 CO 0.56 -0.21 1.08 -3.20 0.23 0.00 0.00 176.35 174.81 3kni n ASN 11 N 3.87 1.15 0.00 2.29 2.85 -1.26 -5.08 115.26 119.08 3kni n ASN 11 Ca -0.19 -2.56 0.00 0.00 -0.11 0.00 0.00 54.58 51.72 3kni n ASN 11 Cb 0.57 -0.32 0.00 0.00 1.24 0.00 0.00 39.78 41.27 3kni n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kni n ARG 12 N -0.66 0.00 -4.10 1.20 1.74 -1.26 -5.05 116.66 108.53 3kni n ARG 12 Ca 0.08 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 3kni n ARG 12 Cb 0.69 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.03 3kni n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kni s HIS 13 N 0.39 3.22 0.00 -1.55 -3.43 -1.26 -4.83 115.29 107.82 3kni s HIS 13 Ca 0.00 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 3kni s HIS 13 Cb 0.00 -2.02 0.00 0.00 -1.43 0.00 0.00 32.58 29.13 3kni s HIS 13 CO 0.00 0.18 0.00 -1.13 -2.00 0.00 0.00 174.74 171.79 3kni n SER 14 N 3.33 0.00 -0.49 7.38 3.41 -1.26 0.26 113.62 126.25 3kni n SER 14 Ca -0.17 0.00 0.39 0.00 -0.26 0.00 0.00 58.87 58.83 3kni n SER 14 Cb 0.52 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.10 3kni n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kni n SER 15 N -0.43 0.11 -0.07 4.04 3.41 -1.26 -0.25 113.62 119.17 3kni n SER 15 Ca 0.00 1.05 -0.09 0.00 -0.26 0.00 0.00 58.87 59.57 3kni n SER 15 Cb 0.00 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 3kni n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3kni h HIS 16 N 0.00 0.00 -0.61 7.33 -0.00 0.31 -2.49 115.15 119.68 3kni h HIS 16 Ca 0.77 0.00 0.17 0.00 -0.00 0.00 0.00 60.37 61.31 3kni h HIS 16 Cb 2.74 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 30.13 3kni h HIS 16 CO -0.00 0.63 0.44 -0.09 -0.00 0.00 0.00 177.93 178.90 3kni h ARG 17 N -1.00 0.04 -0.01 5.26 2.43 -0.52 0.95 114.38 121.53 3kni h ARG 17 Ca -0.02 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3kni h ARG 17 Cb 0.64 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3kni h ARG 17 CO -0.01 0.03 -0.24 1.25 -1.51 0.00 0.00 179.97 179.48 3kni h LEU 18 N 0.04 0.23 0.00 3.80 7.12 -0.70 -2.02 115.31 123.78 3kni h LEU 18 Ca 0.29 -0.74 0.00 0.00 0.13 0.00 0.00 57.88 57.56 3kni h LEU 18 Cb 1.12 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 3kni h LEU 18 CO -0.02 0.94 0.00 0.00 -0.13 0.00 0.00 178.44 179.23 3kni n ALA 19 N -2.52 1.79 -0.11 1.25 0.00 0.22 -1.18 120.51 119.96 3kni n ALA 19 Ca -0.09 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 3kni n ALA 19 Cb 0.49 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 3kni n ALA 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kni n LEU 20 N -1.09 1.61 -0.01 0.00 7.94 -0.56 -2.55 117.00 122.34 3kni n LEU 20 Ca 0.07 0.27 0.22 0.00 -1.11 0.00 0.00 56.01 55.46 3kni n LEU 20 Cb 0.05 -0.66 0.72 0.00 0.53 0.00 0.00 43.42 44.06 3kni n LEU 20 CO 0.06 0.47 1.20 1.88 -1.11 0.00 0.00 177.39 179.90 3kni h TYR 21 N -0.79 0.00 0.00 1.96 0.99 -1.15 0.36 116.97 118.34 3kni h TYR 21 Ca -0.57 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.16 3kni h TYR 21 Cb 1.50 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.23 3kni h TYR 21 CO -0.07 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.63 3kni n ARG 22 N -4.07 0.00 -0.47 4.88 1.74 -0.33 -2.20 116.66 116.21 3kni n ARG 22 Ca 0.11 0.00 0.36 0.00 -0.77 0.00 0.00 57.85 57.55 3kni n ARG 22 Cb 0.70 -0.32 0.57 0.00 -1.02 0.00 0.00 32.46 32.39 3kni n ARG 22 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kni n ASN 23 N -0.29 0.04 0.14 0.55 5.03 -1.06 0.38 115.26 120.06 3kni n ASN 23 Ca 0.00 0.81 -0.06 0.00 0.87 0.00 0.00 54.58 56.19 3kni n ASN 23 Cb 0.00 -0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 38.33 3kni n ASN 23 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3kni h GLN 24 N 0.00 -0.38 -0.68 3.52 4.20 -0.42 -2.80 115.11 118.54 3kni h GLN 24 Ca 0.68 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.65 3kni h GLN 24 Cb 2.57 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 30.31 3kni h GLN 24 CO -0.10 -0.26 0.19 0.00 -0.67 0.00 0.00 178.83 178.00 3kni n ALA 25 N -2.41 0.53 -0.21 3.87 0.00 1.23 -0.86 120.51 122.66 3kni n ALA 25 Ca -0.05 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3kni n ALA 25 Cb 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3kni n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kni n LYS 26 N -4.73 0.00 -0.12 0.00 5.02 0.20 -1.96 118.16 116.57 3kni n LYS 26 Ca 0.21 0.39 0.22 0.00 -2.02 0.00 0.00 58.31 57.11 3kni n LYS 26 Cb 0.71 -1.37 0.64 0.00 -0.02 0.00 0.00 35.03 34.99 3kni n LYS 26 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kni h SER 27 N 0.00 0.12 0.94 4.39 0.87 -0.89 0.20 113.55 119.18 3kni h SER 27 Ca 0.00 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3kni h SER 27 Cb 0.00 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3kni h SER 27 CO 0.00 0.06 -0.45 0.25 -0.53 0.00 0.00 176.83 176.15 3kni h LEU 28 N 0.13 -1.07 -0.28 2.23 7.12 -0.97 0.36 115.31 122.83 3kni h LEU 28 Ca 0.36 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.46 3kni h LEU 28 Cb 1.23 0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 41.59 3kni h LEU 28 CO -0.05 -0.76 -0.02 -0.07 -0.13 0.00 0.00 178.44 177.40 3kni h LEU 29 N -1.28 -0.16 -0.02 2.25 4.07 -0.69 0.57 115.31 120.05 3kni h LEU 29 Ca -0.13 0.07 0.03 0.00 0.08 0.00 0.00 57.88 57.93 3kni h LEU 29 Cb 0.97 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.79 3kni h LEU 29 CO 0.21 -0.05 -0.39 0.74 -1.08 0.00 0.00 178.44 177.87 3kni h THR 30 N 0.05 0.19 0.00 0.22 2.02 -0.46 -3.31 112.91 111.63 3kni h THR 30 Ca 0.13 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 3kni h THR 30 Cb 0.19 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3kni h THR 30 CO -0.24 0.00 -1.44 1.41 0.37 0.00 0.00 175.52 175.62 3kni n HIS 31 N -5.44 0.81 0.00 3.16 8.25 0.12 -5.04 115.22 117.08 3kni n HIS 31 Ca -0.05 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3kni n HIS 31 Cb 0.36 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.48 3kni n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kni n GLY 32 N 1.35 2.03 3.71 -1.41 0.00 0.18 -4.99 105.19 106.06 3kni n GLY 32 Ca -0.08 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 3kni n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kni s ARG 33 N 0.00 2.59 0.19 1.61 3.00 -1.24 -2.50 118.95 122.59 3kni s ARG 33 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 55.73 54.80 3kni s ARG 33 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 34.95 32.40 3kni s ARG 33 CO 0.00 0.49 0.03 0.42 0.00 0.00 0.00 175.30 176.25 3kni s ILE 34 N -1.59 0.58 -0.23 1.52 -1.09 -0.12 -4.89 121.20 115.38 3kni s ILE 34 Ca 0.28 -1.98 -0.03 0.00 -2.23 0.00 0.00 60.65 56.69 3kni s ILE 34 Cb -0.10 -2.26 0.07 0.00 -1.58 0.00 0.00 42.46 38.59 3kni s ILE 34 CO 0.20 -0.34 0.07 -0.89 -1.23 0.00 0.00 174.94 172.75 3kni s THR 35 N -3.73 0.44 0.23 2.92 2.01 -1.26 -2.52 115.64 113.73 3kni s THR 35 Ca 0.28 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 3kni s THR 35 Cb 0.07 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 3kni s THR 35 CO 0.07 -0.39 0.20 0.42 -0.69 0.00 0.00 174.62 174.23 3kni s THR 36 N 1.88 0.00 0.46 -0.82 -4.23 -1.24 -4.94 115.64 106.75 3kni s THR 36 Ca 0.03 -1.92 -0.24 0.00 -1.18 0.00 0.00 61.69 58.38 3kni s THR 36 Cb -0.17 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 3kni s THR 36 CO -0.16 0.00 1.22 0.42 -0.54 0.00 0.00 174.62 175.56 3kni s THR 37 N -4.00 2.85 0.38 3.99 -4.23 -1.26 -0.04 115.64 113.33 3kni s THR 37 Ca 0.37 0.67 0.25 0.00 -1.18 0.00 0.00 61.69 61.80 3kni s THR 37 Cb 0.05 -3.35 0.40 0.00 1.34 0.00 0.00 72.50 70.94 3kni s THR 37 CO 0.14 0.02 1.46 0.52 -0.54 0.00 0.00 174.62 176.22 3kni n VAL 38 N -0.40 -0.31 -0.02 2.29 0.31 0.38 -1.74 118.33 118.84 3kni n VAL 38 Ca 0.07 1.77 -0.08 0.00 -0.01 0.00 0.00 64.34 66.09 3kni n VAL 38 Cb 0.46 -2.89 -0.06 0.00 -0.91 0.00 0.00 33.84 30.44 3kni n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kni h PRO 39 N 0.00 -0.07 -1.13 5.55 0.11 -1.91 -0.66 132.00 133.89 3kni h PRO 39 Ca 0.81 0.00 0.39 0.00 0.11 0.00 0.00 66.00 67.31 3kni h PRO 39 Cb 2.39 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 33.37 3kni h PRO 39 CO -0.56 0.36 0.68 0.87 -0.21 0.00 0.00 178.00 179.14 3kni h LYS 40 N -0.97 0.14 0.00 1.05 1.57 -1.71 0.43 116.57 117.08 3kni h LYS 40 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kni h LYS 40 Cb 0.47 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kni h LYS 40 CO 0.01 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 3kni n ALA 41 N -2.38 0.00 -0.08 3.86 0.00 -0.73 -0.82 120.51 120.35 3kni n ALA 41 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.83 3kni n ALA 41 Cb 1.24 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.76 3kni n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kni n LYS 42 N -0.29 -0.02 -0.08 0.00 5.02 -0.25 0.62 118.16 123.16 3kni n LYS 42 Ca 0.00 0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 56.49 3kni n LYS 42 Cb 0.00 -0.53 -0.05 0.00 -0.02 0.00 0.00 35.03 34.43 3kni n LYS 42 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3kni h GLU 43 N 0.00 0.62 -0.40 1.97 4.57 -0.26 -3.31 114.58 117.77 3kni h GLU 43 Ca 0.14 -0.34 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3kni h GLU 43 Cb 0.29 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.81 3kni h GLU 43 CO -0.21 0.94 -0.41 1.25 -1.18 0.00 0.00 179.01 179.40 3kni h LEU 44 N 0.33 -1.36 0.00 1.64 7.12 2.02 -3.34 115.31 121.72 3kni h LEU 44 Ca 0.03 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.26 3kni h LEU 44 Cb 0.85 0.60 0.00 0.00 -0.53 0.00 0.00 40.66 41.58 3kni h LEU 44 CO 0.07 -0.36 0.00 -2.11 -0.13 0.00 0.00 178.44 175.90 3kni n ARG 45 N -5.42 0.00 -0.34 1.25 1.85 -1.11 -0.66 116.66 112.23 3kni n ARG 45 Ca -0.00 0.27 0.28 0.00 -1.00 0.00 0.00 57.85 57.40 3kni n ARG 45 Cb 0.35 -0.61 0.46 0.00 -1.05 0.00 0.00 32.46 31.61 3kni n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kni n GLY 46 N -0.66 -0.57 0.38 2.89 0.00 -1.25 0.83 105.19 106.81 3kni n GLY 46 Ca 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 3kni n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kni h PHE 47 N 0.00 -0.86 0.65 1.61 3.57 -1.04 -3.10 116.94 117.78 3kni h PHE 47 Ca 0.58 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.02 3kni h PHE 47 Cb 1.98 0.28 0.01 0.00 2.79 0.00 0.00 35.95 41.01 3kni h PHE 47 CO -0.00 -0.54 -0.31 0.28 -2.23 0.00 0.00 178.31 175.51 3kni h VAL 48 N -0.93 0.31 -0.85 1.41 2.07 0.52 -2.93 116.25 115.85 3kni h VAL 48 Ca -0.09 -0.14 0.31 0.00 0.82 0.00 0.00 66.70 67.59 3kni h VAL 48 Cb 0.71 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 3kni h VAL 48 CO 0.16 0.02 0.53 0.47 0.02 0.00 0.00 177.57 178.76 3kni n ASP 49 N -5.43 0.16 0.09 0.57 9.92 -0.62 0.80 116.55 122.03 3kni n ASP 49 Ca -0.13 0.95 -0.12 0.00 -0.53 0.00 0.00 54.79 54.96 3kni n ASP 49 Cb 0.37 -0.47 -0.12 0.00 -0.64 0.00 0.00 41.12 40.26 3kni n ASP 49 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 3kni h HIS 50 N 0.00 0.31 -0.24 1.24 2.76 -1.43 -2.33 115.15 115.46 3kni h HIS 50 Ca 0.57 -0.22 -0.13 0.00 -2.20 0.00 0.00 60.37 58.40 3kni h HIS 50 Cb 1.78 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.71 3kni h HIS 50 CO -0.00 1.15 -0.40 -0.07 -1.30 0.00 0.00 177.93 177.31 3kni h LEU 51 N 0.05 0.58 0.26 0.26 4.07 0.35 -1.92 115.31 118.97 3kni h LEU 51 Ca -0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 3kni h LEU 51 Cb 1.85 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.43 3kni h LEU 51 CO 0.17 0.91 -0.13 0.40 -1.08 0.00 0.00 178.44 178.72 3kni h ILE 52 N 0.46 0.76 -1.08 1.22 1.08 -1.45 -2.25 117.51 116.25 3kni h ILE 52 Ca 0.04 -0.69 0.30 0.00 -0.39 0.00 0.00 64.86 64.12 3kni h ILE 52 Cb 0.89 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 35.70 3kni h ILE 52 CO 0.08 0.14 0.74 -0.74 -0.69 0.00 0.00 178.15 177.68 3kni h HIS 53 N -0.74 0.24 -0.52 1.37 2.76 -1.32 2.16 115.15 119.10 3kni h HIS 53 Ca -0.04 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 3kni h HIS 53 Cb 0.49 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 3kni h HIS 53 CO 0.03 0.02 -0.05 1.25 -1.30 0.00 0.00 177.93 177.89 3kni h LEU 54 N 0.14 0.95 0.00 0.26 5.85 -1.02 -1.47 115.31 120.03 3kni h LEU 54 Ca 0.55 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3kni h LEU 54 Cb 1.88 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.65 3kni h LEU 54 CO -0.11 1.05 0.00 0.00 -0.34 0.00 0.00 178.44 179.04 3kni n ALA 55 N -2.47 1.58 -0.03 1.25 0.00 0.72 -2.10 120.51 119.47 3kni n ALA 55 Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 3kni n ALA 55 Cb 0.36 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 3kni n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kni h LYS 56 N 0.00 0.22 0.00 0.00 1.63 -0.10 -3.41 116.57 114.90 3kni h LYS 56 Ca 0.00 -0.21 -0.11 0.00 -0.85 0.00 0.00 60.65 59.48 3kni h LYS 56 Cb 0.16 0.05 0.06 0.00 -0.60 0.00 0.00 32.23 31.91 3kni h LYS 56 CO 0.00 0.91 -0.01 0.54 -3.45 0.00 0.00 179.45 177.44 3kni n ARG 57 N -4.48 -2.22 0.00 1.90 1.74 -0.89 -4.94 116.66 107.77 3kni n ARG 57 Ca -0.09 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 3kni n ARG 57 Cb 0.50 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3kni n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 58 N -0.60 0.00 2.27 -0.13 0.00 -1.26 -4.96 105.19 100.50 3kni n GLY 58 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3kni n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kni n ASP 59 N -0.87 -0.20 -0.34 1.61 3.85 -1.26 -4.53 116.55 114.80 3kni n ASP 59 Ca 0.00 0.75 0.16 0.00 -0.71 0.00 0.00 54.79 54.99 3kni n ASP 59 Cb 0.12 -0.60 0.38 0.00 -1.35 0.00 0.00 41.12 39.67 3kni n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3kni h LEU 60 N 1.64 0.69 -0.82 -2.12 6.46 -1.98 0.20 115.31 119.37 3kni h LEU 60 Ca -0.30 0.11 0.16 0.00 -0.12 0.00 0.00 57.88 57.73 3kni h LEU 60 Cb 0.93 -0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.76 3kni h LEU 60 CO 0.41 0.18 0.37 -0.74 -0.62 0.00 0.00 178.44 178.05 3kni h HIS 61 N 0.63 0.64 0.53 1.25 2.76 -2.01 0.15 115.15 119.12 3kni h HIS 61 Ca 0.60 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.78 3kni h HIS 61 Cb 1.11 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.92 3kni h HIS 61 CO -0.00 0.10 -0.26 0.00 -1.30 0.00 0.00 177.93 176.47 3kni h ALA 62 N 1.58 -0.72 -0.91 5.26 0.00 -0.93 -2.78 119.26 120.75 3kni h ALA 62 Ca 0.46 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.33 3kni h ALA 62 Cb 0.70 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 3kni h ALA 62 CO -0.40 -0.77 -0.29 -2.13 0.00 0.00 0.00 179.25 175.66 3kni n ARG 63 N -5.30 -0.14 0.05 0.00 0.63 -0.21 0.19 116.66 111.87 3kni n ARG 63 Ca -0.11 1.41 -0.11 0.00 -0.92 0.00 0.00 57.85 58.12 3kni n ARG 63 Cb 0.33 -2.11 -0.05 0.00 0.45 0.00 0.00 32.46 31.08 3kni n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kni h ARG 64 N 0.00 -0.21 -0.00 -0.14 3.08 -0.71 -1.71 114.38 114.69 3kni h ARG 64 Ca 0.38 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3kni h ARG 64 Cb 0.61 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 3kni h ARG 64 CO -0.92 -0.14 -0.00 -0.07 -1.07 0.00 0.00 179.97 177.76 3kni h LEU 65 N -0.22 -0.01 -1.98 3.04 4.07 0.02 0.21 115.31 120.44 3kni h LEU 65 Ca 0.05 0.00 0.37 0.00 0.08 0.00 0.00 57.88 58.37 3kni h LEU 65 Cb 0.28 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 3kni h LEU 65 CO -0.13 -0.00 0.91 0.58 -1.08 0.00 0.00 178.44 178.72 3kni h VAL 66 N -0.00 0.37 0.00 1.22 2.07 -1.32 0.70 116.25 119.28 3kni h VAL 66 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kni h VAL 66 Cb 0.00 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3kni h VAL 66 CO -0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 3kni n LEU 67 N -4.17 0.00 -0.01 2.57 -0.00 0.73 -2.05 117.00 114.07 3kni n LEU 67 Ca 0.27 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.33 3kni n LEU 67 Cb 1.32 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.60 3kni n LEU 67 CO 0.41 0.00 -0.69 0.54 -0.00 0.00 0.00 177.39 177.65 3kni n ARG 68 N -0.97 0.65 -0.02 1.96 1.74 0.24 -4.48 116.66 115.78 3kni n ARG 68 Ca 0.15 -0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.16 3kni n ARG 68 Cb 0.07 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 3kni n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kni n ASP 69 N -2.52 0.56 -4.79 0.55 10.43 -1.05 -4.89 116.55 114.85 3kni n ASP 69 Ca -0.11 0.27 -0.29 0.00 2.57 0.00 0.00 54.79 57.23 3kni n ASP 69 Cb 0.75 -0.60 0.12 0.00 1.84 0.00 0.00 41.12 43.23 3kni n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kni s LEU 70 N -5.71 2.16 0.00 0.64 1.43 -0.87 -4.91 118.68 111.41 3kni s LEU 70 Ca -0.06 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3kni s LEU 70 Cb 0.01 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.99 3kni s LEU 70 CO 0.09 -2.39 0.00 1.67 0.23 0.00 0.00 176.35 175.95 3kni n GLN 71 N -3.65 0.00 -1.59 1.70 -0.06 -1.26 -4.40 117.38 108.13 3kni n GLN 71 Ca 0.07 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.89 3kni n GLN 71 Cb 0.60 -0.38 -0.06 0.00 -4.06 0.00 0.00 30.24 26.34 3kni n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kni s ASP 72 N -1.63 4.05 0.07 1.69 3.68 -1.26 -4.79 116.67 118.48 3kni s ASP 72 Ca 0.00 0.24 -0.04 0.00 2.13 0.00 0.00 52.55 54.89 3kni s ASP 72 Cb 0.00 -2.54 0.10 0.00 -1.45 0.00 0.00 42.92 39.03 3kni s ASP 72 CO 0.00 -3.63 0.45 0.52 0.13 0.00 0.00 175.17 172.64 3kni n VAL 73 N 8.59 -0.14 -0.02 1.11 0.31 -1.26 0.31 118.33 127.23 3kni n VAL 73 Ca 0.44 0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 65.30 3kni n VAL 73 Cb 0.46 -0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 32.39 3kni n VAL 73 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kni h LYS 74 N 0.00 -0.53 -1.44 5.55 1.63 -2.02 0.22 116.57 119.98 3kni h LYS 74 Ca 0.12 0.04 0.43 0.00 -0.85 0.00 0.00 60.65 60.39 3kni h LYS 74 Cb 0.19 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.85 3kni h LYS 74 CO -0.29 -0.35 1.00 1.25 -3.45 0.00 0.00 179.45 177.60 3kni h LEU 75 N -0.55 0.13 0.74 5.20 7.12 -0.53 0.29 115.31 127.71 3kni h LEU 75 Ca 0.05 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 3kni h LEU 75 Cb 0.67 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 3kni h LEU 75 CO -0.45 -0.05 -0.50 1.62 -0.13 0.00 0.00 178.44 178.93 3kni h VAL 76 N 0.07 0.01 -1.00 1.05 3.04 -0.54 -1.62 116.25 117.27 3kni h VAL 76 Ca 0.76 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 66.64 3kni h VAL 76 Cb 2.72 0.01 -0.11 0.00 -2.01 0.00 0.00 31.29 31.90 3kni h VAL 76 CO -0.17 0.00 0.61 0.03 -1.01 0.00 0.00 177.57 177.02 3kni h ARG 77 N -1.18 0.75 0.26 4.17 3.08 -0.31 0.88 114.38 122.03 3kni h ARG 77 Ca -0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3kni h ARG 77 Cb 0.96 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3kni h ARG 77 CO 0.07 0.50 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.11 3kni h LYS 78 N 0.77 -0.35 0.24 0.04 3.64 -1.20 -2.87 116.57 116.84 3kni h LYS 78 Ca 0.57 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.99 3kni h LYS 78 Cb 0.87 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 3kni h LYS 78 CO -0.38 -0.24 -0.35 1.25 -2.27 0.00 0.00 179.45 177.46 3kni h LEU 79 N -0.37 -0.99 -2.28 5.20 6.46 0.06 -2.57 115.31 120.81 3kni h LEU 79 Ca -0.03 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3kni h LEU 79 Cb 0.29 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3kni h LEU 79 CO 0.05 -0.47 -0.01 -0.26 -0.62 0.00 0.00 178.44 177.13 3kni h PHE 80 N -0.66 0.00 -1.53 1.25 0.04 -0.96 0.15 116.94 115.24 3kni h PHE 80 Ca 0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3kni h PHE 80 Cb 0.64 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.45 3kni h PHE 80 CO -0.26 0.01 -0.97 -0.40 -0.60 0.00 0.00 178.31 176.09 3kni n ASP 81 N -4.06 -0.48 0.00 2.17 3.85 -1.09 -4.48 116.55 112.46 3kni n ASP 81 Ca -0.03 -2.88 0.00 0.00 -0.71 0.00 0.00 54.79 51.17 3kni n ASP 81 Cb 0.09 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 3kni n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3kni n GLU 82 N 1.32 0.00 -0.03 0.11 2.13 -1.11 -4.89 120.64 118.17 3kni n GLU 82 Ca 0.18 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.83 3kni n GLU 82 Cb 0.57 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.14 3kni n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3kni h ILE 83 N 0.00 1.55 0.67 6.31 1.08 -1.22 -3.39 117.51 122.52 3kni h ILE 83 Ca 0.00 -2.40 -0.03 0.00 -0.39 0.00 0.00 64.86 62.04 3kni h ILE 83 Cb 0.00 3.16 0.01 0.00 -3.07 0.00 0.00 36.82 36.92 3kni h ILE 83 CO 0.00 0.62 -0.32 0.00 -0.69 0.00 0.00 178.15 177.76 3kni h ALA 84 N -0.03 -0.90 -0.95 1.87 0.00 -0.93 -3.22 119.26 115.10 3kni h ALA 84 Ca -0.11 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 54.85 3kni h ALA 84 Cb 1.30 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 3kni h ALA 84 CO 0.03 -0.98 0.66 -1.35 0.00 0.00 0.00 179.25 177.62 3kni h PRO 85 N -0.96 0.15 -0.38 0.00 0.11 -1.82 -1.60 132.00 127.50 3kni h PRO 85 Ca -0.09 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.12 3kni h PRO 85 Cb 0.71 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 3kni h PRO 85 CO 0.15 0.10 0.42 0.00 -0.21 0.00 0.00 178.00 178.47 3kni h ARG 86 N 0.16 0.00 -0.12 1.05 3.08 -1.74 -2.61 114.38 114.20 3kni h ARG 86 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 3kni h ARG 86 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.66 3kni h ARG 86 CO -0.09 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.47 3kni n TYR 87 N -3.70 0.16 -0.16 3.04 4.01 -0.60 -4.83 117.16 115.08 3kni n TYR 87 Ca 0.07 -0.27 -0.01 0.00 -0.16 0.00 0.00 57.90 57.53 3kni n TYR 87 Cb 0.59 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.62 3kni n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3kni n ARG 88 N 0.27 -0.10 -2.43 -0.72 0.63 -0.98 0.17 116.66 113.49 3kni n ARG 88 Ca 0.06 0.65 -0.38 0.00 -0.92 0.00 0.00 57.85 57.25 3kni n ARG 88 Cb 0.28 -0.96 0.02 0.00 0.45 0.00 0.00 32.46 32.25 3kni n ARG 88 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3kni n ASP 89 N -4.62 6.97 -3.64 6.15 8.00 -1.26 -4.88 116.55 123.28 3kni n ASP 89 Ca 0.04 -3.74 -0.29 0.00 0.71 0.00 0.00 54.79 51.52 3kni n ASP 89 Cb 0.17 -1.03 -0.16 0.00 -0.02 0.00 0.00 41.12 40.08 3kni n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kni s ARG 90 N -4.12 0.41 -0.72 -1.24 3.52 0.45 -5.08 118.95 112.17 3kni s ARG 90 Ca 0.45 -0.61 -0.26 0.00 -0.13 0.00 0.00 55.73 55.17 3kni s ARG 90 Cb 0.29 -1.66 0.00 0.00 -1.56 0.00 0.00 34.95 32.03 3kni s ARG 90 CO -0.23 -0.90 1.60 -0.65 -0.81 0.00 0.00 175.30 174.31 3kni s GLN 91 N 1.92 2.93 0.37 5.12 -0.21 -1.26 -4.84 119.66 123.69 3kni s GLN 91 Ca 0.07 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.49 3kni s GLN 91 Cb -0.17 -4.44 0.00 0.00 1.00 0.00 0.00 33.01 29.40 3kni s GLN 91 CO -0.25 -2.51 0.00 0.41 -2.12 0.00 0.00 175.29 170.82 3kni n GLY 92 N 5.77 -1.97 0.74 3.09 0.00 -1.26 -4.99 105.19 106.58 3kni n GLY 92 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3kni n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLY 93 N -3.73 0.77 0.57 -0.02 0.00 -1.26 -4.99 105.19 96.54 3kni n GLY 93 Ca -0.03 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.67 3kni n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kni n TYR 94 N -1.08 0.35 -3.62 1.61 0.53 -1.26 -4.66 117.16 109.02 3kni n TYR 94 Ca 0.00 -0.14 -0.10 0.00 -1.02 0.00 0.00 57.90 56.65 3kni n TYR 94 Cb 0.28 -0.10 -0.02 0.00 -1.03 0.00 0.00 39.34 38.47 3kni n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3kni s THR 95 N -1.57 0.00 0.09 -0.72 -1.32 -1.26 -2.83 115.64 108.03 3kni s THR 95 Ca 0.11 -0.46 -0.06 0.00 -1.21 0.00 0.00 61.69 60.07 3kni s THR 95 Cb 0.07 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 3kni s THR 95 CO 0.05 -0.01 0.12 -0.60 -2.21 0.00 0.00 174.62 171.97 3kni s ARG 96 N -3.83 0.81 -0.04 7.08 3.52 -0.18 -4.70 118.95 121.61 3kni s ARG 96 Ca 0.06 -1.10 0.02 0.00 -0.13 0.00 0.00 55.73 54.58 3kni s ARG 96 Cb -0.03 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 3kni s ARG 96 CO -0.04 -0.24 -0.10 0.08 -0.81 0.00 0.00 175.30 174.19 3kni s VAL 97 N -3.91 0.93 -0.10 7.11 1.01 -1.23 -2.18 120.40 122.03 3kni s VAL 97 Ca 0.08 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3kni s VAL 97 Cb 0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 3kni s VAL 97 CO -0.08 0.30 -0.22 -0.76 0.00 0.00 0.00 175.10 174.33 3kni s LEU 98 N 0.41 2.22 -0.30 3.92 1.43 0.22 -4.88 118.68 121.71 3kni s LEU 98 Ca -0.08 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.27 3kni s LEU 98 Cb -0.12 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3kni s LEU 98 CO 0.02 0.17 0.88 -0.54 0.23 0.00 0.00 176.35 177.11 3kni s LYS 99 N 0.27 4.04 -0.16 1.70 1.02 -1.26 -0.61 119.74 124.73 3kni s LYS 99 Ca -0.15 0.80 -0.24 0.00 0.02 0.00 0.00 55.97 56.39 3kni s LYS 99 Cb -0.17 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 3kni s LYS 99 CO 0.08 -0.71 0.78 -0.51 -0.92 0.00 0.00 175.35 174.07 3kni s LEU 100 N 3.12 4.18 -0.06 3.17 1.43 -0.92 -5.00 118.68 124.60 3kni s LEU 100 Ca 0.36 1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 3kni s LEU 100 Cb -0.14 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3kni s LEU 100 CO 0.12 -0.34 1.35 0.00 0.23 0.00 0.00 176.35 177.71 3kni s ALA 101 N 1.95 3.59 0.00 4.21 0.00 -1.26 -4.44 121.76 125.81 3kni s ALA 101 Ca 0.36 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3kni s ALA 101 Cb -0.17 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3kni s ALA 101 CO 0.13 -1.01 0.00 0.39 0.00 0.00 0.00 175.76 175.27 3kni n GLU 102 N 5.87 0.00 -4.23 0.00 1.02 -1.26 -5.08 120.64 116.96 3kni n GLU 102 Ca 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 3kni n GLU 102 Cb 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.76 3kni n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3kni s ARG 103 N -4.15 1.08 0.33 3.49 1.70 -1.26 -4.25 118.95 115.90 3kni s ARG 103 Ca 0.00 -1.52 -0.28 0.00 -0.47 0.00 0.00 55.73 53.46 3kni s ARG 103 Cb 0.00 -0.21 -0.13 0.00 -0.57 0.00 0.00 34.95 34.04 3kni s ARG 103 CO 0.00 -0.14 1.18 0.54 -1.08 0.00 0.00 175.30 175.80 3kni n ARG 104 N -0.22 1.82 -0.03 3.89 1.74 -1.10 -4.77 116.66 117.98 3kni n ARG 104 Ca -0.06 0.64 -0.14 0.00 -0.77 0.00 0.00 57.85 57.52 3kni n ARG 104 Cb 0.63 -2.15 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 3kni n ARG 104 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kni h ARG 105 N 2.28 0.74 -0.28 5.56 2.47 -1.95 -0.07 114.38 123.13 3kni h ARG 105 Ca -0.44 -0.51 -0.07 0.00 -1.26 0.00 0.00 59.98 57.69 3kni h ARG 105 Cb 1.31 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.70 3kni h ARG 105 CO 0.61 1.14 -0.12 0.78 0.56 0.00 0.00 179.97 182.94 3kni h GLY 106 N 0.80 0.63 0.00 0.04 0.00 -2.02 -3.36 103.07 99.16 3kni h GLY 106 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3kni h GLY 106 CO 0.13 0.50 0.00 2.09 0.00 0.00 0.00 176.54 179.26 3kni n ASP 107 N -4.45 1.05 -4.00 0.19 5.75 -1.26 -5.06 116.55 108.77 3kni n ASP 107 Ca -0.03 -1.40 -0.31 0.00 -0.01 0.00 0.00 54.79 53.04 3kni n ASP 107 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3kni n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kni n GLY 108 N -0.20 -0.42 3.87 6.12 0.00 -0.04 -4.93 105.19 109.59 3kni n GLY 108 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3kni n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni s ALA 109 N -3.43 3.83 -0.41 4.61 0.00 -1.26 -4.51 121.76 120.59 3kni s ALA 109 Ca 0.53 -0.97 -0.34 0.00 0.00 0.00 0.00 51.96 51.18 3kni s ALA 109 Cb -0.28 -1.65 -0.12 0.00 0.00 0.00 0.00 23.12 21.07 3kni s ALA 109 CO 0.87 0.71 2.25 -2.30 0.00 0.00 0.00 175.76 177.29 3kni n PRO 110 N 0.09 0.99 -2.95 0.00 -0.02 -1.26 -2.71 135.00 129.14 3kni n PRO 110 Ca -0.07 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.42 3kni n PRO 110 Cb 0.52 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3kni n PRO 110 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kni s LEU 111 N 7.89 3.64 0.31 2.45 2.01 -1.26 -0.47 118.68 133.24 3kni s LEU 111 Ca 1.10 0.36 -0.04 0.00 0.01 0.00 0.00 54.13 55.56 3kni s LEU 111 Cb -0.83 -3.23 -0.00 0.00 0.01 0.00 0.00 46.19 42.14 3kni s LEU 111 CO 0.47 -0.70 0.44 0.00 1.01 0.00 0.00 176.35 177.57 3kni s ALA 112 N -2.58 0.63 -0.04 4.21 0.00 0.94 -2.17 121.76 122.74 3kni s ALA 112 Ca 0.48 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 51.08 3kni s ALA 112 Cb -0.10 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 3kni s ALA 112 CO 0.39 -0.78 -0.21 -0.51 0.00 0.00 0.00 175.76 174.65 3kni s LEU 113 N -3.19 2.00 -0.34 0.00 1.02 0.22 -3.60 118.68 114.79 3kni s LEU 113 Ca 0.30 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.03 3kni s LEU 113 Cb 0.00 -1.15 0.11 0.00 0.02 0.00 0.00 46.19 45.17 3kni s LEU 113 CO 0.17 0.21 0.12 -0.69 0.02 0.00 0.00 176.35 176.18 3kni s VAL 114 N -0.14 1.16 0.15 -1.59 1.01 -1.05 -0.61 120.40 119.34 3kni s VAL 114 Ca -0.02 -1.74 0.09 0.00 0.00 0.00 0.00 61.98 60.31 3kni s VAL 114 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kni s VAL 114 CO 0.02 -0.71 -0.12 -1.83 0.00 0.00 0.00 175.10 172.46 3kni s GLU 115 N 1.28 1.99 0.22 2.72 -1.05 -0.93 -0.95 118.70 121.99 3kni s GLU 115 Ca 0.11 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.44 3kni s GLU 115 Cb -0.19 -2.18 -0.08 0.00 -0.44 0.00 0.00 34.13 31.24 3kni s GLU 115 CO -0.18 0.46 1.04 -0.51 0.95 0.00 0.00 175.26 177.03 3kni s LEU 116 N -2.50 4.56 0.27 1.83 1.43 -1.04 -1.01 118.68 122.20 3kni s LEU 116 Ca 0.22 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 3kni s LEU 116 Cb -0.10 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3kni s LEU 116 CO 0.13 -0.08 1.40 -0.69 0.23 0.00 0.00 176.35 177.35 3kni s VAL 117 N -0.78 2.70 0.00 -1.59 1.01 -1.13 -4.85 120.40 115.75 3kni s VAL 117 Ca 0.45 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3kni s VAL 117 Cb -0.29 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3kni s VAL 117 CO 0.36 0.11 0.00 1.21 0.00 0.00 0.00 175.10 176.78