#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n ARG 2 N 0.00 -1.03 -1.63 3.17 0.00 -1.26 -4.89 116.66 111.03 3df2 n ARG 2 Ca 0.00 0.26 -0.63 0.00 -0.00 0.00 0.00 57.85 57.47 3df2 n ARG 2 Cb 0.00 -4.38 -0.09 0.00 0.00 0.00 0.00 32.46 27.99 3df2 n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3df2 n HIS 3 N -2.15 1.35 -1.02 -0.14 8.25 -1.26 0.48 115.22 120.73 3df2 n HIS 3 Ca 0.00 1.09 -0.01 0.00 -0.26 0.00 0.00 57.72 58.55 3df2 n HIS 3 Cb 0.26 -2.13 -0.00 0.00 1.12 0.00 0.00 29.99 29.23 3df2 n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3df2 n ARG 4 N 3.08 -1.30 -3.11 -0.41 5.12 -1.26 -4.97 116.66 113.80 3df2 n ARG 4 Ca 0.27 0.36 -0.40 0.00 -1.93 0.00 0.00 57.85 56.14 3df2 n ARG 4 Cb -0.01 -4.35 -0.06 0.00 -1.16 0.00 0.00 32.46 26.87 3df2 n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3df2 s LYS 5 N -1.40 4.15 0.02 5.56 1.02 0.18 -5.06 119.74 124.20 3df2 s LYS 5 Ca 0.00 0.58 -0.00 0.00 0.02 0.00 0.00 55.97 56.57 3df2 s LYS 5 Cb 0.00 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 3df2 s LYS 5 CO 0.00 -0.34 0.02 0.45 -0.92 0.00 0.00 175.35 174.56 3df2 n SER 6 N 5.45 0.01 0.00 2.83 2.88 -1.26 -4.98 113.62 118.54 3df2 n SER 6 Ca -0.01 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 3df2 n SER 6 Cb 0.49 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 3df2 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3df2 n GLY 7 N 4.85 -1.80 3.22 0.46 0.00 -1.26 -5.01 105.19 105.65 3df2 n GLY 7 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 46.02 44.44 3df2 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3df2 s ARG 8 N 0.00 0.03 0.00 1.61 3.52 -1.26 -5.03 118.95 117.82 3df2 s ARG 8 Ca 0.00 0.08 0.27 0.00 -0.13 0.00 0.00 55.73 55.95 3df2 s ARG 8 Cb 0.00 0.05 0.89 0.00 -1.56 0.00 0.00 34.95 34.33 3df2 s ARG 8 CO 0.00 -0.01 1.67 0.00 -0.81 0.00 0.00 175.30 176.14 3df2 n GLN 9 N 4.41 0.28 0.00 5.12 10.64 -1.26 -4.93 117.38 131.64 3df2 n GLN 9 Ca -0.07 -0.12 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 3df2 n GLN 9 Cb 0.56 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 3df2 n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3df2 n LEU 10 N -1.25 0.00 0.00 2.61 7.99 -1.26 -2.58 117.00 122.50 3df2 n LEU 10 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 3df2 n LEU 10 Cb 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 3df2 n LEU 10 CO 0.29 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.76 3df2 n ASN 11 N 0.29 0.00 0.00 -1.43 5.03 -1.26 -5.18 115.26 112.71 3df2 n ASN 11 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3df2 n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3df2 n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3df2 n ARG 12 N 0.00 -0.80 -1.58 3.52 3.00 -1.07 -5.12 116.66 114.61 3df2 n ARG 12 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 3df2 n ARG 12 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.54 3df2 n ARG 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3df2 n ASN 13 N 0.00 1.63 0.21 6.15 0.23 -1.26 -4.81 115.26 117.41 3df2 n ASN 13 Ca 0.00 0.77 0.14 0.00 -0.53 0.00 0.00 54.58 54.97 3df2 n ASN 13 Cb 0.00 -1.52 0.72 0.00 -2.08 0.00 0.00 39.78 36.90 3df2 n ASN 13 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3df2 h SER 14 N 0.21 0.00 0.86 0.53 0.87 -2.00 0.25 113.55 114.27 3df2 h SER 14 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3df2 h SER 14 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3df2 h SER 14 CO 0.51 0.00 -0.07 -1.54 -0.53 0.00 0.00 176.83 175.20 3df2 n SER 15 N -2.52 0.08 -0.04 6.23 3.41 -1.26 -2.41 113.62 117.11 3df2 n SER 15 Ca -0.01 0.28 -0.03 0.00 -0.26 0.00 0.00 58.87 58.85 3df2 n SER 15 Cb 0.10 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3df2 n SER 15 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3df2 n HIS 16 N -1.45 0.48 0.06 7.33 -0.00 0.86 -4.20 115.22 118.30 3df2 n HIS 16 Ca 0.08 0.21 0.21 0.00 0.46 0.00 0.00 57.72 58.68 3df2 n HIS 16 Cb 0.32 -0.52 0.72 0.00 -0.12 0.00 0.00 29.99 30.39 3df2 n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df2 h ARG 17 N -0.59 0.00 0.00 1.57 3.08 -1.64 2.77 114.38 119.57 3df2 h ARG 17 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3df2 h ARG 17 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3df2 h ARG 17 CO 0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 3df2 n GLN 18 N -3.68 0.45 0.00 0.04 6.02 -1.01 -2.75 117.38 116.45 3df2 n GLN 18 Ca 0.09 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3df2 n GLN 18 Cb 0.71 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.47 3df2 n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df2 n ALA 19 N -1.09 2.26 -0.48 -1.58 0.00 0.61 -4.28 120.51 115.95 3df2 n ALA 19 Ca 0.12 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.98 3df2 n ALA 19 Cb 0.08 0.07 0.77 0.00 0.00 0.00 0.00 19.45 20.38 3df2 n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3df2 h MET 20 N 0.00 0.00 0.00 0.00 1.85 0.39 0.41 114.93 117.59 3df2 h MET 20 Ca 0.00 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.85 3df2 h MET 20 Cb 0.15 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.13 3df2 h MET 20 CO 0.00 0.00 -1.91 1.19 -0.40 0.00 0.00 176.91 175.79 3df2 n PHE 21 N -4.01 0.00 0.04 1.39 0.99 -1.11 -3.67 117.46 111.09 3df2 n PHE 21 Ca 0.33 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 58.00 3df2 n PHE 21 Cb 1.59 -0.65 0.73 0.00 -1.00 0.00 0.00 39.48 40.15 3df2 n PHE 21 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3df2 h ARG 22 N 0.00 0.00 0.05 -1.08 2.43 -0.42 0.86 114.38 116.22 3df2 h ARG 22 Ca -0.36 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.43 3df2 h ARG 22 Cb 1.80 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.31 3df2 h ARG 22 CO 0.02 0.00 -2.26 0.09 -1.51 0.00 0.00 179.97 176.30 3df2 n ASN 23 N -3.83 2.04 -0.26 -3.80 3.02 -0.38 -3.41 115.26 108.64 3df2 n ASN 23 Ca 0.10 0.02 -0.06 0.00 -0.03 0.00 0.00 54.58 54.61 3df2 n ASN 23 Cb 0.69 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 3df2 n ASN 23 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3df2 h MET 24 N -0.01 -0.13 -0.28 3.52 4.05 -0.96 0.15 114.93 121.28 3df2 h MET 24 Ca -0.51 0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 58.73 3df2 h MET 24 Cb 1.94 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.77 3df2 h MET 24 CO -0.02 -0.09 -0.54 0.00 0.23 0.00 0.00 176.91 176.49 3df2 h ALA 25 N 0.93 0.51 -0.63 0.39 0.00 -1.42 -2.81 119.26 116.23 3df2 h ALA 25 Ca 0.24 -0.51 0.18 0.00 0.00 0.00 0.00 54.91 54.82 3df2 h ALA 25 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3df2 h ALA 25 CO -0.78 0.68 0.56 0.78 0.00 0.00 0.00 179.25 180.49 3df2 h GLY 26 N 0.76 0.00 1.16 0.00 0.00 -0.83 0.38 103.07 104.53 3df2 h GLY 26 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.05 3df2 h GLY 26 CO 0.12 0.00 -1.59 1.76 0.00 0.00 0.00 176.54 176.83 3df2 h SER 27 N 0.00 0.16 0.33 0.19 0.02 -0.73 -3.31 113.55 110.20 3df2 h SER 27 Ca 0.30 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3df2 h SER 27 Cb 1.42 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 3df2 h SER 27 CO -0.00 1.23 -0.44 0.25 -1.14 0.00 0.00 176.83 176.73 3df2 h LEU 28 N 0.03 -1.23 -1.25 5.07 6.46 -0.01 0.19 115.31 124.56 3df2 h LEU 28 Ca -0.25 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3df2 h LEU 28 Cb 1.98 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 42.34 3df2 h LEU 28 CO 0.11 -0.56 0.05 1.33 -0.62 0.00 0.00 178.44 178.75 3df2 n VAL 29 N -5.50 1.03 0.02 1.05 0.24 -0.92 0.27 118.33 114.51 3df2 n VAL 29 Ca -0.10 0.72 -0.04 0.00 -2.04 0.00 0.00 64.34 62.89 3df2 n VAL 29 Cb 0.41 -1.72 -0.10 0.00 -1.47 0.00 0.00 33.84 30.95 3df2 n VAL 29 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3df2 h ARG 30 N 0.00 0.00 0.00 7.34 3.08 -0.81 -3.42 114.38 120.58 3df2 h ARG 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3df2 h ARG 30 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3df2 h ARG 30 CO 0.00 0.42 0.00 0.72 -1.07 0.00 0.00 179.97 180.04 3df2 n HIS 31 N -2.99 0.00 0.00 3.04 8.25 -0.17 -5.01 115.22 118.34 3df2 n HIS 31 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3df2 n HIS 31 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3df2 n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3df2 n GLU 32 N -0.24 0.00 -3.99 -0.41 4.71 0.78 -4.88 120.64 116.60 3df2 n GLU 32 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 3df2 n GLU 32 Cb 0.04 -2.58 -0.12 0.00 -1.01 0.00 0.00 31.44 27.77 3df2 n GLU 32 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3df2 s ILE 33 N -0.72 0.21 -0.06 -3.67 -5.25 -1.26 0.40 121.20 110.85 3df2 s ILE 33 Ca 0.00 -0.61 -0.14 0.00 -0.99 0.00 0.00 60.65 58.91 3df2 s ILE 33 Cb 0.00 -0.28 0.03 0.00 2.95 0.00 0.00 42.46 45.16 3df2 s ILE 33 CO 0.00 -0.26 0.33 -0.63 -1.79 0.00 0.00 174.94 172.59 3df2 s ILE 34 N -0.88 0.04 -0.79 8.37 1.01 0.00 -4.89 121.20 124.06 3df2 s ILE 34 Ca -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3df2 s ILE 34 Cb -0.06 -0.57 0.19 0.00 0.01 0.00 0.00 42.46 42.03 3df2 s ILE 34 CO -0.00 -0.16 0.63 -1.59 0.00 0.00 0.00 174.94 173.81 3df2 s LYS 35 N -0.76 2.87 0.00 2.79 0.00 -1.26 -0.47 119.74 122.91 3df2 s LYS 35 Ca -0.08 -3.20 0.00 0.00 0.00 0.00 0.00 55.97 52.68 3df2 s LYS 35 Cb -0.04 -3.73 0.00 0.00 0.00 0.00 0.00 37.83 34.06 3df2 s LYS 35 CO 0.03 -1.26 0.00 -2.37 0.00 0.00 0.00 175.35 171.75 3df2 n THR 36 N 2.35 0.00 -2.58 3.79 5.66 -1.26 -4.77 114.28 117.47 3df2 n THR 36 Ca 0.19 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.79 3df2 n THR 36 Cb 0.36 -0.43 -0.05 0.00 -1.55 0.00 0.00 70.33 68.66 3df2 n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3df2 s THR 37 N 0.58 3.72 0.15 1.09 2.01 -1.26 0.77 115.64 122.69 3df2 s THR 37 Ca 0.00 1.73 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 3df2 s THR 37 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3df2 s THR 37 CO 0.00 0.41 1.56 0.25 -0.69 0.00 0.00 174.62 176.15 3df2 h LEU 38 N 3.93 -1.72 -0.92 4.42 5.85 -1.34 -0.30 115.31 125.23 3df2 h LEU 38 Ca -0.46 0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3df2 h LEU 38 Cb 1.21 0.73 -0.06 0.00 0.37 0.00 0.00 40.66 42.91 3df2 h LEU 38 CO 0.67 -0.37 0.58 -0.65 -0.34 0.00 0.00 178.44 178.33 3df2 h PRO 39 N -0.31 1.01 0.00 5.25 0.11 -1.93 0.67 132.00 136.81 3df2 h PRO 39 Ca 0.12 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3df2 h PRO 39 Cb 0.57 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3df2 h PRO 39 CO -0.65 0.67 0.00 0.87 -0.21 0.00 0.00 178.00 178.69 3df2 h LYS 40 N 1.04 0.00 0.00 1.05 1.57 -1.50 -2.54 116.57 116.20 3df2 h LYS 40 Ca 0.40 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.01 3df2 h LYS 40 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3df2 h LYS 40 CO -0.18 0.00 -1.13 0.00 -0.57 0.00 0.00 179.45 177.57 3df2 n ALA 41 N -1.84 0.72 0.01 3.86 0.00 0.12 -2.56 120.51 120.82 3df2 n ALA 41 Ca -0.00 -0.54 0.23 0.00 0.00 0.00 0.00 53.44 53.13 3df2 n ALA 41 Cb 0.13 -0.29 0.71 0.00 0.00 0.00 0.00 19.45 20.00 3df2 n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3df2 h LYS 42 N -1.00 0.00 0.00 0.00 1.57 -1.13 0.29 116.57 116.30 3df2 h LYS 42 Ca -0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3df2 h LYS 42 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3df2 h LYS 42 CO -0.16 0.00 -0.06 0.93 -0.57 0.00 0.00 179.45 179.59 3df2 h GLU 43 N 0.00 0.00 -1.46 3.15 4.39 -1.61 -3.31 114.58 115.75 3df2 h GLU 43 Ca 0.27 0.00 0.44 0.00 0.34 0.00 0.00 59.36 60.40 3df2 h GLU 43 Cb 1.39 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 3df2 h GLU 43 CO -0.00 0.15 1.01 1.25 -1.16 0.00 0.00 179.01 180.26 3df2 h LEU 44 N -1.00 0.12 -0.30 1.33 5.85 -0.72 -0.95 115.31 119.64 3df2 h LEU 44 Ca -0.01 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3df2 h LEU 44 Cb 0.19 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3df2 h LEU 44 CO -0.00 -0.05 -0.39 -0.09 -0.34 0.00 0.00 178.44 177.57 3df2 h ARG 45 N 0.07 -0.26 -2.32 1.25 2.43 -0.62 -1.13 114.38 113.81 3df2 h ARG 45 Ca 0.77 0.02 -0.43 0.00 -0.81 0.00 0.00 59.98 59.53 3df2 h ARG 45 Cb 2.76 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 32.30 3df2 h ARG 45 CO -0.17 -0.17 1.13 2.89 -1.51 0.00 0.00 179.97 182.14 3df2 n ARG 46 N -4.56 2.79 0.00 0.20 1.85 -0.36 -3.00 116.66 113.57 3df2 n ARG 46 Ca -0.02 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 55.01 3df2 n ARG 46 Cb 0.24 -2.30 0.00 0.00 -1.05 0.00 0.00 32.46 29.35 3df2 n ARG 46 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3df2 n VAL 47 N 2.39 0.00 -0.05 8.89 0.31 -0.46 -4.84 118.33 124.57 3df2 n VAL 47 Ca 0.55 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.85 3df2 n VAL 47 Cb 0.60 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.52 3df2 n VAL 47 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df2 n VAL 48 N -1.16 0.85 -0.31 2.52 0.31 -1.02 -3.87 118.33 115.65 3df2 n VAL 48 Ca 0.00 0.32 0.14 0.00 -0.01 0.00 0.00 64.34 64.79 3df2 n VAL 48 Cb 0.00 -2.02 0.29 0.00 -0.91 0.00 0.00 33.84 31.20 3df2 n VAL 48 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3df2 h GLU 49 N -0.59 0.08 -0.87 5.55 5.08 -1.82 1.46 114.58 123.47 3df2 h GLU 49 Ca 0.00 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3df2 h GLU 49 Cb 0.40 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3df2 h GLU 49 CO 0.00 0.06 0.57 -1.35 -1.00 0.00 0.00 179.01 177.28 3df2 h PRO 50 N 0.09 0.91 -0.04 2.33 0.11 -1.78 0.49 132.00 134.10 3df2 h PRO 50 Ca 0.57 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.47 3df2 h PRO 50 Cb 1.18 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.10 3df2 h PRO 50 CO -0.79 0.60 -0.60 -0.07 -0.21 0.00 0.00 178.00 176.93 3df2 h LEU 51 N 0.94 0.60 -1.52 2.35 4.07 0.16 -2.96 115.31 118.94 3df2 h LEU 51 Ca 0.38 -0.71 -0.01 0.00 0.08 0.00 0.00 57.88 57.62 3df2 h LEU 51 Cb 0.28 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3df2 h LEU 51 CO -0.15 1.23 0.17 0.40 -1.08 0.00 0.00 178.44 179.01 3df2 h ILE 52 N 0.02 1.13 0.00 1.22 2.04 0.68 0.45 117.51 123.05 3df2 h ILE 52 Ca -0.06 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 3df2 h ILE 52 Cb 1.28 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3df2 h ILE 52 CO 0.12 0.15 -0.18 0.74 0.00 0.00 0.00 178.15 178.98 3df2 h THR 53 N 0.49 0.93 0.00 -0.27 2.02 -0.02 0.11 112.91 116.18 3df2 h THR 53 Ca 0.13 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3df2 h THR 53 Cb 0.06 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3df2 h THR 53 CO -0.02 0.17 -0.58 0.25 0.37 0.00 0.00 175.52 175.72 3df2 h LEU 54 N 0.00 0.00 -1.79 2.58 5.85 -0.18 -3.23 115.31 118.53 3df2 h LEU 54 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3df2 h LEU 54 Cb 0.36 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3df2 h LEU 54 CO 0.02 0.04 -0.02 0.00 -0.34 0.00 0.00 178.44 178.15 3df2 h ALA 55 N 1.96 1.01 0.10 1.25 0.00 0.24 -3.22 119.26 120.60 3df2 h ALA 55 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3df2 h ALA 55 Cb 1.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3df2 h ALA 55 CO 0.00 0.02 -0.23 0.87 0.00 0.00 0.00 179.25 179.92 3df2 h LYS 56 N 0.00 -0.35 -6.19 0.00 1.79 -1.52 -3.32 116.57 106.98 3df2 h LYS 56 Ca -0.00 0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 57.93 3df2 h LYS 56 Cb 0.41 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 3df2 h LYS 56 CO 0.00 -0.23 0.72 0.99 -1.08 0.00 0.00 179.45 179.85 3df2 s THR 57 N -4.21 4.59 0.00 -0.16 2.01 -1.22 -4.89 115.64 111.77 3df2 s THR 57 Ca -0.07 1.89 0.00 0.00 0.31 0.00 0.00 61.69 63.82 3df2 s THR 57 Cb 0.02 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.31 3df2 s THR 57 CO 0.26 -0.08 0.00 -0.67 -0.69 0.00 0.00 174.62 173.44 3df2 n ASP 58 N 5.75 0.00 -0.77 3.53 4.64 -1.26 -4.84 116.55 123.60 3df2 n ASP 58 Ca 0.11 0.00 0.10 0.00 -1.38 0.00 0.00 54.79 53.62 3df2 n ASP 58 Cb 0.47 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.51 3df2 n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3df2 n SER 59 N 0.00 -4.50 -0.05 1.67 2.88 -1.26 -3.94 113.62 108.42 3df2 n SER 59 Ca 0.00 0.60 0.02 0.00 -1.33 0.00 0.00 58.87 58.16 3df2 n SER 59 Cb 0.00 -2.52 -0.16 0.00 -0.75 0.00 0.00 64.21 60.78 3df2 n SER 59 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3df2 n VAL 60 N -3.41 0.64 -0.06 2.46 0.31 -1.26 -3.57 118.33 113.43 3df2 n VAL 60 Ca -0.03 -0.66 -0.07 0.00 -0.01 0.00 0.00 64.34 63.57 3df2 n VAL 60 Cb 0.36 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 3df2 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df2 h ALA 61 N 1.55 0.01 0.00 3.52 0.00 -1.99 -1.16 119.26 121.19 3df2 h ALA 61 Ca -0.25 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3df2 h ALA 61 Cb 1.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3df2 h ALA 61 CO 0.01 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.40 3df2 n ASN 62 N -4.68 0.00 -0.01 0.00 5.03 -1.26 0.44 115.26 114.78 3df2 n ASN 62 Ca -0.06 0.50 -0.00 0.00 0.87 0.00 0.00 54.58 55.89 3df2 n ASN 62 Cb 0.25 -0.50 -0.00 0.00 -1.02 0.00 0.00 39.78 38.51 3df2 n ASN 62 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3df2 h ARG 63 N 0.00 0.00 -0.76 3.52 9.65 -1.60 -2.89 114.38 122.30 3df2 h ARG 63 Ca 0.00 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 3df2 h ARG 63 Cb 0.05 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 3df2 h ARG 63 CO 0.00 0.00 0.43 0.00 2.80 0.00 0.00 179.97 183.20 3df2 h ARG 64 N -0.12 0.73 -0.33 0.20 3.08 -0.75 0.34 114.38 117.53 3df2 h ARG 64 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3df2 h ARG 64 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3df2 h ARG 64 CO 0.00 0.48 0.23 1.25 -1.07 0.00 0.00 179.97 180.86 3df2 h LEU 65 N 0.75 0.25 -0.67 3.04 5.85 -0.20 0.86 115.31 125.19 3df2 h LEU 65 Ca 0.35 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.93 3df2 h LEU 65 Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3df2 h LEU 65 CO -0.22 0.17 -0.59 0.00 -0.34 0.00 0.00 178.44 177.46 3df2 h ALA 66 N 1.81 0.86 0.00 1.25 0.00 -0.21 -2.37 119.26 120.60 3df2 h ALA 66 Ca 0.14 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3df2 h ALA 66 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3df2 h ALA 66 CO -0.03 0.72 -0.26 0.35 0.00 0.00 0.00 179.25 180.03 3df2 h PHE 67 N 0.17 0.00 0.00 0.00 3.57 0.21 -3.30 116.94 117.60 3df2 h PHE 67 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3df2 h PHE 67 Cb 1.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3df2 h PHE 67 CO 0.02 0.26 0.00 0.00 -2.23 0.00 0.00 178.31 176.37 3df2 n ALA 68 N -2.19 -0.24 -1.67 2.41 0.00 0.25 -4.29 120.51 114.78 3df2 n ALA 68 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 3df2 n ALA 68 Cb 0.56 0.13 0.01 0.00 0.00 0.00 0.00 19.45 20.16 3df2 n ALA 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3df2 s ARG 69 N -2.43 3.32 -0.21 0.00 3.03 -1.21 -4.43 118.95 117.02 3df2 s ARG 69 Ca 0.00 1.15 -0.04 0.00 2.03 0.00 0.00 55.73 58.86 3df2 s ARG 69 Cb 0.00 -2.04 0.02 0.00 -1.03 0.00 0.00 34.95 31.90 3df2 s ARG 69 CO 0.00 -0.81 0.09 0.25 -1.13 0.00 0.00 175.30 173.70 3df2 n THR 70 N -2.15-10.60 0.74 4.99 -2.24 -1.26 -4.79 114.28 98.96 3df2 n THR 70 Ca 0.08 1.93 0.07 0.00 -2.27 0.00 0.00 64.05 63.86 3df2 n THR 70 Cb 0.53 -6.10 0.37 0.00 -2.10 0.00 0.00 70.33 63.03 3df2 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3df2 n ARG 71 N 1.26 0.29 -2.34 -0.78 3.00 -1.26 -4.59 116.66 112.23 3df2 n ARG 71 Ca -0.15 0.10 -0.40 0.00 -0.00 0.00 0.00 57.85 57.40 3df2 n ARG 71 Cb 0.29 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.22 3df2 n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3df2 s ASP 72 N -2.37 5.79 0.00 6.15 3.68 -1.26 -4.81 116.67 123.85 3df2 s ASP 72 Ca 0.16 -0.12 0.08 0.00 2.13 0.00 0.00 52.55 54.79 3df2 s ASP 72 Cb 0.09 -2.55 0.47 0.00 -1.45 0.00 0.00 42.92 39.49 3df2 s ASP 72 CO 0.19 -2.07 1.01 -3.20 0.13 0.00 0.00 175.17 171.24 3df2 n ASN 73 N 10.79 0.00 -0.13 -0.34 5.15 -1.26 -2.91 115.26 126.56 3df2 n ASN 73 Ca 0.10 -1.02 -0.27 0.00 -0.60 0.00 0.00 54.58 52.79 3df2 n ASN 73 Cb 0.50 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.65 3df2 n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3df2 n GLU 74 N -0.69 0.58 0.32 1.20 2.13 -1.26 -4.29 120.64 118.63 3df2 n GLU 74 Ca 0.06 0.33 0.20 0.00 0.66 0.00 0.00 57.16 58.41 3df2 n GLU 74 Cb 0.03 -1.54 1.10 0.00 0.27 0.00 0.00 31.44 31.29 3df2 n GLU 74 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3df2 h ILE 75 N -1.00 0.16 0.00 6.31 3.07 -1.90 0.56 117.51 124.71 3df2 h ILE 75 Ca -0.59 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.82 3df2 h ILE 75 Cb 1.51 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 3df2 h ILE 75 CO -0.36 0.00 0.00 -0.37 -1.05 0.00 0.00 178.15 176.37 3df2 h VAL 76 N 0.00 0.00 0.11 0.16 -1.51 -1.74 0.11 116.25 113.39 3df2 h VAL 76 Ca 0.00 -0.23 -0.29 0.00 -1.23 0.00 0.00 66.70 64.96 3df2 h VAL 76 Cb 0.07 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3df2 h VAL 76 CO -0.00 0.00 -1.38 0.00 -1.23 0.00 0.00 177.57 174.96 3df2 h ALA 77 N 2.04 0.21 -0.55 5.19 0.00 -0.08 -3.13 119.26 122.94 3df2 h ALA 77 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 54.91 53.86 3df2 h ALA 77 Cb 0.25 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3df2 h ALA 77 CO 0.00 1.09 0.18 -0.22 0.00 0.00 0.00 179.25 180.30 3df2 h LYS 78 N 0.06 0.82 -6.93 0.00 1.63 -0.82 -2.75 116.57 108.59 3df2 h LYS 78 Ca -0.18 -0.14 -0.49 0.00 -0.85 0.00 0.00 60.65 58.98 3df2 h LYS 78 Cb 1.98 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 33.50 3df2 h LYS 78 CO 0.18 0.71 0.15 -0.51 -3.45 0.00 0.00 179.45 176.52 3df2 s LEU 79 N -9.41 3.70 0.00 5.20 1.43 -0.21 0.96 118.68 120.36 3df2 s LEU 79 Ca -0.10 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3df2 s LEU 79 Cb 0.16 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.35 3df2 s LEU 79 CO 0.79 -0.51 0.00 0.49 0.23 0.00 0.00 176.35 177.36 3df2 n PHE 80 N -1.74 0.00 0.00 0.29 3.72 -1.25 -4.31 117.46 114.16 3df2 n PHE 80 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3df2 n PHE 80 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3df2 n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3df2 n ASN 81 N 1.01 0.00 0.00 4.37 4.13 -1.20 -4.05 115.26 119.52 3df2 n ASN 81 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3df2 n ASN 81 Cb 0.00 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 3df2 n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3df2 n GLU 82 N -1.94 0.00 0.00 3.52 2.13 -0.55 -4.08 120.64 119.72 3df2 n GLU 82 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 3df2 n GLU 82 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 3df2 n GLU 82 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 3df2 n LEU 83 N 0.00 0.00 0.00 4.31 -0.00 0.27 -3.34 117.00 118.24 3df2 n LEU 83 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 3df2 n LEU 83 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 3df2 n LEU 83 CO 0.00 -0.24 0.39 0.61 -0.00 0.00 0.00 177.39 178.15 3df2 n GLY 84 N -1.10 -2.77 0.16 1.47 0.00 -0.83 -2.67 105.19 99.46 3df2 n GLY 84 Ca 0.01 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3df2 n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3df2 h PRO 85 N 0.00 0.00 -0.19 1.61 0.11 -1.69 -3.26 132.00 128.58 3df2 h PRO 85 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 3df2 h PRO 85 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3df2 h PRO 85 CO 0.00 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 177.51 3df2 h ARG 86 N 0.00 -0.21 -1.06 1.05 2.47 -1.51 0.03 114.38 115.16 3df2 h ARG 86 Ca 0.00 0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 58.43 3df2 h ARG 86 Cb 0.20 0.05 -0.17 0.00 -1.65 0.00 0.00 29.97 28.39 3df2 h ARG 86 CO 0.00 -0.14 0.39 1.19 0.56 0.00 0.00 179.97 181.97 3df2 n PHE 87 N -4.04 1.74 -0.09 3.04 3.72 -1.22 -4.60 117.46 116.01 3df2 n PHE 87 Ca -0.02 -1.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 3df2 n PHE 87 Cb 0.17 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 3df2 n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3df2 n ALA 88 N -0.35 2.97 -0.41 4.37 0.00 -0.00 -1.97 120.51 125.12 3df2 n ALA 88 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3df2 n ALA 88 Cb 1.09 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.30 3df2 n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3df2 n SER 89 N 1.41 0.00 -4.76 0.00 3.41 -1.26 -5.08 113.62 107.33 3df2 n SER 89 Ca 0.00 -0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 3df2 n SER 89 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3df2 n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3df2 s ARG 90 N 0.00 4.49 0.57 4.33 6.06 -0.83 -4.90 118.95 128.66 3df2 s ARG 90 Ca 0.00 2.02 0.38 0.00 -2.50 0.00 0.00 55.73 55.63 3df2 s ARG 90 Cb 0.00 -3.13 1.90 0.00 0.06 0.00 0.00 34.95 33.78 3df2 s ARG 90 CO 0.00 -0.01 2.14 0.00 -2.50 0.00 0.00 175.30 174.93 3df2 h ALA 91 N 3.67 1.00 0.00 6.12 0.00 -2.01 -3.45 119.26 124.59 3df2 h ALA 91 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3df2 h ALA 91 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3df2 h ALA 91 CO 0.67 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3df2 n GLY 92 N -0.74 3.27 3.52 0.00 0.00 -1.26 -5.06 105.19 104.93 3df2 n GLY 92 Ca -0.02 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3df2 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 93 N 0.00 0.69 0.39 -0.02 0.00 -1.26 -4.61 105.19 100.38 3df2 n GLY 93 Ca 0.00 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.63 3df2 n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df2 n TYR 94 N 14.94 0.03 -4.34 1.61 4.01 -1.26 -4.84 117.16 127.31 3df2 n TYR 94 Ca 0.44 -0.01 -0.18 0.00 -0.16 0.00 0.00 57.90 57.99 3df2 n TYR 94 Cb 0.46 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.39 3df2 n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3df2 s THR 95 N -1.97 1.62 0.04 -0.72 -1.32 -1.26 -2.27 115.64 109.75 3df2 s THR 95 Ca 0.39 -2.18 0.05 0.00 -1.21 0.00 0.00 61.69 58.74 3df2 s THR 95 Cb 0.20 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.12 3df2 s THR 95 CO 0.33 -0.59 -0.14 -0.60 -2.21 0.00 0.00 174.62 171.41 3df2 s ARG 96 N -3.67 0.92 -0.24 7.08 6.06 0.25 -4.64 118.95 124.69 3df2 s ARG 96 Ca 0.22 -0.73 -0.11 0.00 -2.50 0.00 0.00 55.73 52.61 3df2 s ARG 96 Cb 0.00 -0.91 -0.16 0.00 0.06 0.00 0.00 34.95 33.94 3df2 s ARG 96 CO 0.06 0.23 -0.14 0.44 -2.50 0.00 0.00 175.30 173.39 3df2 n ILE 97 N 1.95 1.55 -3.00 4.11 -6.64 -1.26 -0.38 119.36 115.69 3df2 n ILE 97 Ca -0.18 -0.39 -0.00 0.00 -1.77 0.00 0.00 62.75 60.41 3df2 n ILE 97 Cb 0.55 -1.79 -0.00 0.00 -1.44 0.00 0.00 39.64 36.96 3df2 n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 3df2 n LEU 98 N -3.97 -5.31 -4.91 7.28 4.32 -1.26 -0.92 117.00 112.23 3df2 n LEU 98 Ca -0.46 0.86 -0.29 0.00 -0.02 0.00 0.00 56.01 56.10 3df2 n LEU 98 Cb 0.89 -2.27 0.11 0.00 -1.62 0.00 0.00 43.42 40.53 3df2 n LEU 98 CO 0.16 -2.21 0.80 -0.54 -1.22 0.00 0.00 177.39 174.38 3df2 s LYS 99 N -1.18 1.74 0.00 3.23 1.02 -1.26 -1.05 119.74 122.23 3df2 s LYS 99 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.99 3df2 s LYS 99 Cb 0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 3df2 s LYS 99 CO 0.31 -1.73 0.00 0.00 -0.92 0.00 0.00 175.35 173.01 3df2 n GLY 101 N -0.48 -0.56 1.90 0.00 0.00 -0.48 -4.80 105.19 100.77 3df2 n GLY 101 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 3df2 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df2 n PHE 102 N -1.87 -1.54 -0.89 1.61 3.72 -0.86 -4.31 117.46 113.32 3df2 n PHE 102 Ca -0.00 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.22 3df2 n PHE 102 Cb 0.55 -2.38 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 3df2 n PHE 102 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3df2 n ARG 103 N 0.48 2.09 -0.02 -1.08 0.63 0.32 -4.73 116.66 114.34 3df2 n ARG 103 Ca -0.10 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.80 3df2 n ARG 103 Cb 0.15 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.05 3df2 n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3df2 n ALA 104 N -3.00 1.69 0.00 5.13 0.00 -1.26 -4.58 120.51 118.49 3df2 n ALA 104 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3df2 n ALA 104 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3df2 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 105 N 2.39 -0.15 3.55 0.00 0.00 -1.26 -4.64 105.19 105.07 3df2 n GLY 105 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3df2 n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3df2 s ASP 106 N -2.29 -0.30 0.00 1.61 -4.77 -1.26 -4.99 116.67 104.67 3df2 s ASP 106 Ca 0.00 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.36 3df2 s ASP 106 Cb 0.00 0.29 0.00 0.00 -1.09 0.00 0.00 42.92 42.12 3df2 s ASP 106 CO 0.00 -0.43 0.29 -3.20 0.70 0.00 0.00 175.17 172.53 3df2 n ASN 107 N 0.08 0.56 -4.68 2.11 4.05 -1.26 -3.18 115.26 112.93 3df2 n ASN 107 Ca -0.07 -1.14 -0.44 0.00 0.45 0.00 0.00 54.58 53.38 3df2 n ASN 107 Cb 0.60 -0.28 -0.03 0.00 1.23 0.00 0.00 39.78 41.29 3df2 n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3df2 n ALA 108 N 0.20 1.69 -2.56 5.20 0.00 -1.26 -4.45 120.51 119.33 3df2 n ALA 108 Ca 0.00 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 3df2 n ALA 108 Cb 0.14 -2.59 -0.02 0.00 0.00 0.00 0.00 19.45 16.98 3df2 n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3df2 s PRO 109 N 3.39 3.80 0.23 0.00 0.04 -1.26 0.12 135.00 141.31 3df2 s PRO 109 Ca 0.86 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 3df2 s PRO 109 Cb -0.52 -3.88 0.05 0.00 0.04 0.00 0.00 34.50 30.19 3df2 s PRO 109 CO 0.42 -1.27 0.31 -1.33 0.04 0.00 0.00 177.00 175.16 3df2 n MET 110 N 7.60 -0.06 0.00 4.56 2.81 -1.26 -1.32 117.12 129.45 3df2 n MET 110 Ca 0.13 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.44 3df2 n MET 110 Cb 0.48 -0.29 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 3df2 n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3df2 n ALA 111 N -3.13 0.00 -2.68 3.04 0.00 0.23 -1.38 120.51 116.59 3df2 n ALA 111 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 3df2 n ALA 111 Cb 0.15 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.67 3df2 n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3df2 n TYR 112 N 0.00 -0.96 -1.60 0.00 4.01 -0.10 -4.35 117.16 114.17 3df2 n TYR 112 Ca 0.00 -0.85 -0.37 0.00 -0.16 0.00 0.00 57.90 56.52 3df2 n TYR 112 Cb 0.00 1.16 0.06 0.00 -0.31 0.00 0.00 39.34 40.25 3df2 n TYR 112 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3df2 n ILE 113 N 1.57 3.89 -3.63 -0.72 0.13 0.38 -3.99 119.36 116.99 3df2 n ILE 113 Ca 0.03 -0.48 -0.11 0.00 -1.10 0.00 0.00 62.75 61.09 3df2 n ILE 113 Cb 0.69 -1.21 -0.07 0.00 -0.84 0.00 0.00 39.64 38.21 3df2 n ILE 113 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3df2 s GLU 114 N -3.02 0.67 -0.94 9.51 2.12 0.49 -0.82 118.70 126.72 3df2 s GLU 114 Ca 0.78 0.84 -0.24 0.00 0.36 0.00 0.00 54.97 56.71 3df2 s GLU 114 Cb -0.39 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.32 3df2 s GLU 114 CO 0.46 -0.09 1.63 -0.51 -0.54 0.00 0.00 175.26 176.21 3df2 s LEU 115 N 0.46 3.35 -0.50 2.70 1.43 0.16 0.85 118.68 127.13 3df2 s LEU 115 Ca 0.00 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.04 3df2 s LEU 115 Cb -0.05 -2.56 -0.17 0.00 0.03 0.00 0.00 46.19 43.44 3df2 s LEU 115 CO -0.04 -2.01 1.34 0.55 0.23 0.00 0.00 176.35 176.42 3df2 n VAL 116 N 7.21 0.00 0.00 -1.59 3.14 -0.96 -1.00 118.33 125.13 3df2 n VAL 116 Ca 0.33 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3df2 n VAL 116 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 3df2 n VAL 116 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3df2 n ASP 117 N 3.91 0.00 0.18 6.55 3.85 -1.26 -4.94 116.55 124.85 3df2 n ASP 117 Ca 0.34 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.60 3df2 n ASP 117 Cb 0.20 0.00 0.81 0.00 -1.35 0.00 0.00 41.12 40.78 3df2 n ASP 117 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3df2 h ARG 118 N 0.00 0.00 -5.56 0.11 1.12 -1.43 -3.41 114.38 105.22 3df2 h ARG 118 Ca 0.00 0.00 -0.54 0.00 -1.11 0.00 0.00 59.98 58.33 3df2 h ARG 118 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 3df2 h ARG 118 CO 0.00 0.00 1.60 0.43 -3.11 0.00 0.00 179.97 178.89 3df2 n SER 119 N -3.83 1.67 0.00 -3.80 7.64 -1.26 -5.13 113.62 108.91 3df2 n SER 119 Ca 0.03 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3df2 n SER 119 Cb 0.37 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3df2 n SER 119 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24