#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 h LYS 3 N 0.00 0.24 0.00 -0.67 1.79 -2.04 -1.19 116.57 114.70 3df2 h LYS 3 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3df2 h LYS 3 Cb 0.00 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3df2 h LYS 3 CO 0.00 0.16 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.18 3df2 h LYS 4 N 0.25 0.00 -0.13 3.15 3.64 -2.05 -2.85 116.57 118.58 3df2 h LYS 4 Ca 0.61 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 60.03 3df2 h LYS 4 Cb 1.82 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.58 3df2 h LYS 4 CO -0.22 0.54 -0.37 0.77 -2.27 0.00 0.00 179.45 177.89 3df2 h SER 5 N -1.00 -1.16 -0.58 4.20 0.02 -1.88 -1.86 113.55 111.29 3df2 h SER 5 Ca -0.03 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3df2 h SER 5 Cb 0.59 0.48 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3df2 h SER 5 CO -0.02 -0.40 0.37 0.00 -1.14 0.00 0.00 176.83 175.65 3df2 h ALA 6 N 0.26 0.74 -1.41 3.77 0.00 -1.42 -2.08 119.26 119.12 3df2 h ALA 6 Ca 0.09 -0.03 0.42 0.00 0.00 0.00 0.00 54.91 55.38 3df2 h ALA 6 Cb 0.59 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3df2 h ALA 6 CO -0.38 0.14 0.99 -0.09 0.00 0.00 0.00 179.25 179.91 3df2 h ARG 7 N 0.75 0.07 0.00 0.00 2.43 -1.09 -2.79 114.38 113.74 3df2 h ARG 7 Ca 0.22 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3df2 h ARG 7 Cb -0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3df2 h ARG 7 CO -0.07 0.04 0.00 -0.89 -1.51 0.00 0.00 179.97 177.55 3df2 n ILE 8 N -4.28 0.00 -0.49 1.20 5.41 -0.78 -3.87 119.36 116.55 3df2 n ILE 8 Ca 0.33 0.42 0.40 0.00 1.00 0.00 0.00 62.75 64.91 3df2 n ILE 8 Cb 1.45 -0.86 0.61 0.00 -0.71 0.00 0.00 39.64 40.13 3df2 n ILE 8 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3df2 n ARG 9 N -0.67 0.00 -0.11 0.38 -4.01 -1.12 -1.69 116.66 109.44 3df2 n ARG 9 Ca 0.00 0.92 -0.10 0.00 -1.04 0.00 0.00 57.85 57.63 3df2 n ARG 9 Cb 0.00 -2.18 -0.04 0.00 -3.04 0.00 0.00 32.46 27.20 3df2 n ARG 9 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3df2 h ARG 10 N 0.00 -0.32 -0.44 2.89 3.08 -1.63 -2.39 114.38 115.56 3df2 h ARG 10 Ca 0.70 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.77 3df2 h ARG 10 Cb 3.07 0.07 0.00 0.00 0.08 0.00 0.00 29.97 33.19 3df2 h ARG 10 CO -0.01 -0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.68 3df2 n ALA 11 N -3.04 2.32 0.30 0.04 0.00 -0.68 -4.35 120.51 115.09 3df2 n ALA 11 Ca -0.01 -1.10 0.20 0.00 0.00 0.00 0.00 53.44 52.53 3df2 n ALA 11 Cb 0.35 -0.67 1.03 0.00 0.00 0.00 0.00 19.45 20.15 3df2 n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3df2 h THR 12 N 3.27 0.00 0.00 0.00 2.02 -1.14 -1.20 112.91 115.86 3df2 h THR 12 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3df2 h THR 12 Cb 0.84 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3df2 h THR 12 CO 0.00 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.75 3df2 n ARG 13 N -2.87 0.00 0.09 6.66 3.00 -1.25 -3.63 116.66 118.65 3df2 n ARG 13 Ca -0.02 0.47 0.19 0.00 -0.00 0.00 0.00 57.85 58.48 3df2 n ARG 13 Cb 0.08 -1.23 0.73 0.00 0.00 0.00 0.00 32.46 32.05 3df2 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df2 h ALA 14 N -2.00 2.22 -0.24 5.13 0.00 -1.82 -0.05 119.26 122.50 3df2 h ALA 14 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3df2 h ALA 14 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3df2 h ALA 14 CO 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 179.25 178.91 3df2 h ARG 15 N 0.00 0.00 0.07 0.00 3.08 -1.30 -0.63 114.38 115.60 3df2 h ARG 15 Ca 0.18 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 3df2 h ARG 15 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.88 3df2 h ARG 15 CO -0.00 0.00 -0.73 -0.09 -1.07 0.00 0.00 179.97 178.08 3df2 h ARG 16 N 0.00 0.37 0.00 0.04 9.65 -1.06 -1.50 114.38 121.88 3df2 h ARG 16 Ca 0.11 -0.49 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 3df2 h ARG 16 Cb 0.45 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3df2 h ARG 16 CO -0.00 1.18 0.03 1.17 2.80 0.00 0.00 179.97 185.15 3df2 n LYS 17 N -4.16 0.08 -0.05 0.20 0.00 -0.42 0.13 118.16 113.94 3df2 n LYS 17 Ca -0.12 0.57 -0.16 0.00 0.00 0.00 0.00 58.31 58.59 3df2 n LYS 17 Cb 0.75 -1.80 -0.14 0.00 0.00 0.00 0.00 35.03 33.85 3df2 n LYS 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3df2 n LEU 18 N -1.93 2.06 0.05 3.14 4.32 -0.38 -3.20 117.00 121.06 3df2 n LEU 18 Ca -0.01 0.11 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 3df2 n LEU 18 Cb 0.05 -0.60 -0.07 0.00 -1.62 0.00 0.00 43.42 41.18 3df2 n LEU 18 CO 0.05 0.75 0.34 -0.61 -1.22 0.00 0.00 177.39 176.70 3df2 h GLN 19 N 0.03 -0.21 -0.86 3.23 4.15 0.76 -2.14 115.11 120.06 3df2 h GLN 19 Ca -0.46 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.12 3df2 h GLN 19 Cb 2.02 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 29.69 3df2 h GLN 19 CO 0.03 0.19 0.56 1.49 -1.93 0.00 0.00 178.83 179.16 3df2 h GLU 20 N -0.92 0.59 0.00 1.69 4.22 0.90 0.55 114.58 121.61 3df2 h GLU 20 Ca -0.02 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3df2 h GLU 20 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3df2 h GLU 20 CO 0.04 0.39 0.00 -0.11 -2.18 0.00 0.00 179.01 177.15 3df2 n LEU 21 N -4.54 0.68 -3.72 1.64 7.94 -1.19 -4.93 117.00 112.87 3df2 n LEU 21 Ca 0.17 0.58 -0.24 0.00 -1.11 0.00 0.00 56.01 55.41 3df2 n LEU 21 Cb 0.51 -0.38 0.03 0.00 0.53 0.00 0.00 43.42 44.10 3df2 n LEU 21 CO 0.30 -0.22 -0.10 0.61 -1.11 0.00 0.00 177.39 176.87 3df2 n GLY 22 N 1.09 -0.51 3.23 -3.96 0.00 0.19 -4.98 105.19 100.25 3df2 n GLY 22 Ca 0.05 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3df2 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 s ALA 23 N -3.66 2.21 -0.17 4.61 0.00 -1.06 -4.86 121.76 118.83 3df2 s ALA 23 Ca 0.15 -0.96 -0.33 0.00 0.00 0.00 0.00 51.96 50.82 3df2 s ALA 23 Cb -0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 23.12 22.12 3df2 s ALA 23 CO 0.84 0.28 2.04 0.25 0.00 0.00 0.00 175.76 179.17 3df2 n THR 24 N 3.53 0.45 -4.15 0.00 -2.24 -1.26 -4.61 114.28 106.00 3df2 n THR 24 Ca -0.19 -0.22 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 3df2 n THR 24 Cb 0.53 -2.00 -0.06 0.00 -2.10 0.00 0.00 70.33 66.70 3df2 n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df2 s ARG 25 N 5.12 2.72 -0.85 -0.78 1.70 -1.20 -2.74 118.95 122.91 3df2 s ARG 25 Ca 0.98 -1.04 -0.09 0.00 -0.47 0.00 0.00 55.73 55.12 3df2 s ARG 25 Cb -0.64 -2.50 0.22 0.00 -0.57 0.00 0.00 34.95 31.46 3df2 s ARG 25 CO 0.47 0.44 0.76 -1.17 -1.08 0.00 0.00 175.30 174.73 3df2 s LEU 26 N -3.32 6.16 0.44 -1.89 2.96 -0.91 -2.18 118.68 119.93 3df2 s LEU 26 Ca 0.31 -3.07 -0.26 0.00 -0.22 0.00 0.00 54.13 50.89 3df2 s LEU 26 Cb -0.09 -2.08 -0.09 0.00 0.50 0.00 0.00 46.19 44.43 3df2 s LEU 26 CO 0.22 -0.41 1.42 0.52 -1.32 0.00 0.00 176.35 176.79 3df2 n VAL 27 N 3.36 2.64 -4.25 1.68 0.31 0.09 -3.06 118.33 119.10 3df2 n VAL 27 Ca 0.16 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.78 3df2 n VAL 27 Cb 0.42 -1.83 -0.12 0.00 -0.91 0.00 0.00 33.84 31.40 3df2 n VAL 27 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df2 s VAL 28 N -1.18 1.45 -0.07 2.52 0.11 -1.07 -1.84 120.40 120.31 3df2 s VAL 28 Ca 0.60 -1.58 -0.06 0.00 -2.93 0.00 0.00 61.98 58.01 3df2 s VAL 28 Cb -0.46 -1.45 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 3df2 s VAL 28 CO 0.59 -0.24 0.19 -2.28 -3.33 0.00 0.00 175.10 170.02 3df2 s HIS 29 N -1.59 -0.21 0.25 1.54 5.04 -0.91 -4.46 115.29 114.95 3df2 s HIS 29 Ca 0.06 0.51 0.09 0.00 -1.54 0.00 0.00 55.06 54.18 3df2 s HIS 29 Cb -0.08 0.06 -0.05 0.00 0.04 0.00 0.00 32.58 32.55 3df2 s HIS 29 CO 0.04 -0.11 -0.15 0.50 -2.34 0.00 0.00 174.74 172.68 3df2 s ARG 30 N 0.23 1.52 -0.18 2.88 3.00 -1.26 -1.05 118.95 124.10 3df2 s ARG 30 Ca -0.01 -1.71 -0.30 0.00 -1.00 0.00 0.00 55.73 52.71 3df2 s ARG 30 Cb -0.02 -1.40 0.14 0.00 0.00 0.00 0.00 34.95 33.66 3df2 s ARG 30 CO -0.01 0.21 1.06 -0.08 0.00 0.00 0.00 175.30 176.49 3df2 s THR 31 N -2.78 0.00 0.34 4.11 -1.32 -0.94 -4.96 115.64 110.10 3df2 s THR 31 Ca 0.27 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.90 3df2 s THR 31 Cb -0.01 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.31 3df2 s THR 31 CO 0.11 0.00 1.63 -0.65 -2.21 0.00 0.00 174.62 173.50 3df2 h PRO 32 N 2.45 0.20 -0.15 7.08 0.11 -2.00 -1.61 132.00 138.08 3df2 h PRO 32 Ca -0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3df2 h PRO 32 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3df2 h PRO 32 CO 0.29 0.13 0.00 0.54 -0.21 0.00 0.00 178.00 178.75 3df2 n ARG 33 N -5.15 1.46 -4.00 1.05 3.00 -1.26 -4.75 116.66 107.01 3df2 n ARG 33 Ca 0.32 -1.52 -0.13 0.00 -0.01 0.00 0.00 57.85 56.51 3df2 n ARG 33 Cb 1.04 -1.25 -0.02 0.00 0.00 0.00 0.00 32.46 32.23 3df2 n ARG 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3df2 s HIS 34 N -0.98 0.77 -0.28 -1.55 3.76 -0.61 -4.39 115.29 112.01 3df2 s HIS 34 Ca 0.18 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 3df2 s HIS 34 Cb 0.11 0.20 0.17 0.00 1.11 0.00 0.00 32.58 34.17 3df2 s HIS 34 CO 0.15 -1.27 0.50 0.42 -0.85 0.00 0.00 174.74 173.70 3df2 s ILE 35 N -2.85 -0.82 0.25 0.60 -1.09 -1.26 -2.20 121.20 113.83 3df2 s ILE 35 Ca 0.26 -0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.65 3df2 s ILE 35 Cb -0.02 -0.94 -0.03 0.00 -1.58 0.00 0.00 42.46 39.89 3df2 s ILE 35 CO 0.17 -0.09 0.38 -0.31 -1.23 0.00 0.00 174.94 173.87 3df2 s TYR 36 N 2.71 3.42 -0.25 3.97 4.12 -0.21 -2.36 117.35 128.74 3df2 s TYR 36 Ca 0.15 -0.02 -0.21 0.00 0.02 0.00 0.00 57.07 57.01 3df2 s TYR 36 Cb -0.14 -1.63 0.07 0.00 -1.52 0.00 0.00 41.96 38.74 3df2 s TYR 36 CO -0.22 0.38 0.65 0.00 0.02 0.00 0.00 175.55 176.38 3df2 s ALA 37 N -2.02 -1.64 -0.28 3.71 0.00 -0.87 -2.14 121.76 118.53 3df2 s ALA 37 Ca 0.35 1.94 -0.21 0.00 0.00 0.00 0.00 51.96 54.05 3df2 s ALA 37 Cb -0.09 -1.13 0.08 0.00 0.00 0.00 0.00 23.12 21.98 3df2 s ALA 37 CO 0.30 -0.32 0.73 1.14 0.00 0.00 0.00 175.76 177.60 3df2 s GLN 38 N 0.64 0.75 -0.51 0.00 -2.07 -0.77 -2.52 119.66 115.19 3df2 s GLN 38 Ca -0.02 1.08 -0.18 0.00 -1.82 0.00 0.00 55.36 54.42 3df2 s GLN 38 Cb -0.05 0.27 0.08 0.00 -1.09 0.00 0.00 33.01 32.22 3df2 s GLN 38 CO -0.04 -0.12 0.55 0.08 -1.32 0.00 0.00 175.29 174.44 3df2 s VAL 39 N 0.97 5.02 0.13 3.63 1.01 -0.94 -0.74 120.40 129.49 3df2 s VAL 39 Ca -0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3df2 s VAL 39 Cb -0.05 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3df2 s VAL 39 CO -0.09 -0.79 0.48 -0.63 0.00 0.00 0.00 175.10 174.06 3df2 s ILE 40 N 2.19 4.99 1.07 2.22 1.01 -0.92 -0.18 121.20 131.57 3df2 s ILE 40 Ca 0.09 0.55 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 3df2 s ILE 40 Cb -0.23 -3.67 0.23 0.00 0.01 0.00 0.00 42.46 38.80 3df2 s ILE 40 CO 0.08 0.19 1.04 0.00 0.00 0.00 0.00 174.94 176.25 3df2 n ALA 41 N 0.62 -2.11 -0.28 9.38 0.00 0.88 -3.23 120.51 125.77 3df2 n ALA 41 Ca -0.05 -0.93 0.08 0.00 0.00 0.00 0.00 53.44 52.53 3df2 n ALA 41 Cb 0.52 -2.07 0.23 0.00 0.00 0.00 0.00 19.45 18.13 3df2 n ALA 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3df2 h PRO 42 N -2.36 0.51 0.00 0.00 0.11 -1.88 0.29 132.00 128.66 3df2 h PRO 42 Ca -0.54 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3df2 h PRO 42 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3df2 h PRO 42 CO 0.45 0.34 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 3df2 n ASN 43 N -4.94 0.00 -0.67 -2.05 0.23 -1.26 -4.77 115.26 101.80 3df2 n ASN 43 Ca 0.17 -0.27 -0.08 0.00 -0.53 0.00 0.00 54.58 53.87 3df2 n ASN 43 Cb 0.47 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 38.07 3df2 n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3df2 n GLY 44 N -0.27 0.75 0.05 4.83 0.00 0.10 -4.82 105.19 105.85 3df2 n GLY 44 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 3df2 n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3df2 n SER 45 N -0.70 1.28 -4.87 1.61 2.88 -1.26 -4.92 113.62 107.63 3df2 n SER 45 Ca -0.08 0.37 -0.37 0.00 -1.33 0.00 0.00 58.87 57.46 3df2 n SER 45 Cb 0.50 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.19 3df2 n SER 45 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3df2 s GLU 46 N -2.08 3.59 0.69 -1.46 -1.05 -1.26 -4.95 118.70 112.18 3df2 s GLU 46 Ca -0.15 0.02 -0.04 0.00 -0.15 0.00 0.00 54.97 54.65 3df2 s GLU 46 Cb 0.02 -3.19 0.15 0.00 -0.44 0.00 0.00 34.13 30.67 3df2 s GLU 46 CO 0.22 0.74 0.95 0.28 0.95 0.00 0.00 175.26 178.40 3df2 n VAL 47 N 1.83 0.00 0.09 1.83 0.31 -1.26 -0.08 118.33 121.04 3df2 n VAL 47 Ca -0.17 -1.21 0.00 0.00 -0.01 0.00 0.00 64.34 62.95 3df2 n VAL 47 Cb 0.54 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 3df2 n VAL 47 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3df2 n LEU 48 N 0.00 0.34 -4.24 7.52 4.77 0.74 -4.68 117.00 121.45 3df2 n LEU 48 Ca 0.14 0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 56.13 3df2 n LEU 48 Cb 0.51 0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3df2 n LEU 48 CO 0.35 -0.69 -0.53 0.68 -1.33 0.00 0.00 177.39 175.86 3df2 s VAL 49 N -2.00 1.71 0.13 4.08 -7.23 -1.24 -5.01 120.40 110.83 3df2 s VAL 49 Ca 0.00 -0.95 0.09 0.00 -1.81 0.00 0.00 61.98 59.31 3df2 s VAL 49 Cb 0.00 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3df2 s VAL 49 CO 0.00 0.46 -0.23 0.00 -0.31 0.00 0.00 175.10 175.02 3df2 s ALA 50 N -0.53 2.09 -0.30 1.32 0.00 -1.26 -2.22 121.76 120.85 3df2 s ALA 50 Ca 0.08 -1.38 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 3df2 s ALA 50 Cb -0.08 -0.29 0.18 0.00 0.00 0.00 0.00 23.12 22.93 3df2 s ALA 50 CO -0.01 0.42 1.15 0.00 0.00 0.00 0.00 175.76 177.32 3df2 s ALA 51 N -1.26 -2.66 0.11 0.00 0.00 -1.05 -4.61 121.76 112.28 3df2 s ALA 51 Ca 0.11 2.02 -0.26 0.00 0.00 0.00 0.00 51.96 53.84 3df2 s ALA 51 Cb -0.09 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.13 3df2 s ALA 51 CO 0.06 -0.50 0.83 -1.54 0.00 0.00 0.00 175.76 174.60 3df2 s SER 52 N 1.44 -0.34 0.00 0.00 1.04 -1.26 -2.05 113.70 112.53 3df2 s SER 52 Ca -0.06 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3df2 s SER 52 Cb -0.03 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.65 3df2 s SER 52 CO -0.13 -0.85 0.30 0.35 0.98 0.00 0.00 173.24 173.89 3df2 n THR 53 N -0.36 0.00 -0.03 2.02 -2.24 -1.00 -0.53 114.28 112.15 3df2 n THR 53 Ca -0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 3df2 n THR 53 Cb 0.62 -0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 3df2 n THR 53 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3df2 n VAL 54 N -0.70 0.27 -0.80 2.28 3.14 -1.26 -4.38 118.33 116.88 3df2 n VAL 54 Ca 0.01 -0.53 -0.30 0.00 -2.96 0.00 0.00 64.34 60.56 3df2 n VAL 54 Cb 0.00 -0.07 0.17 0.00 -1.06 0.00 0.00 33.84 32.88 3df2 n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3df2 s GLU 55 N -3.19 0.88 0.00 1.45 0.41 0.31 -4.89 118.70 113.68 3df2 s GLU 55 Ca -0.08 1.31 0.00 0.00 -0.41 0.00 0.00 54.97 55.79 3df2 s GLU 55 Cb 0.11 -1.73 0.00 0.00 -1.78 0.00 0.00 34.13 30.73 3df2 s GLU 55 CO 0.82 -2.65 0.00 1.17 -0.49 0.00 0.00 175.26 174.11 3df2 n LYS 56 N -4.22 0.00 0.00 1.61 4.81 -1.26 -2.62 118.16 116.48 3df2 n LYS 56 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3df2 n LYS 56 Cb 0.53 -0.15 0.00 0.00 0.02 0.00 0.00 35.03 35.43 3df2 n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df2 n ALA 57 N -3.00 0.00 -0.21 3.14 0.00 -1.26 0.70 120.51 119.87 3df2 n ALA 57 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3df2 n ALA 57 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3df2 n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3df2 h ILE 58 N 0.00 0.00 -0.87 0.00 2.04 -1.89 0.22 117.51 117.01 3df2 h ILE 58 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3df2 h ILE 58 Cb 0.00 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 3df2 h ILE 58 CO 0.00 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.71 3df2 h ALA 59 N -0.11 1.72 -0.81 1.87 0.00 0.52 -3.14 119.26 119.32 3df2 h ALA 59 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3df2 h ALA 59 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3df2 h ALA 59 CO -0.58 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.14 3df2 n GLU 60 N -4.54 0.00 -0.74 0.00 -0.58 0.53 -3.44 120.64 111.88 3df2 n GLU 60 Ca 0.15 0.37 -0.17 0.00 -0.42 0.00 0.00 57.16 57.09 3df2 n GLU 60 Cb 0.36 -1.28 -0.06 0.00 -0.57 0.00 0.00 31.44 29.90 3df2 n GLU 60 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3df2 n GLN 61 N -1.60 1.87 -3.76 3.49 6.02 0.22 -4.74 117.38 118.88 3df2 n GLN 61 Ca 0.00 -1.17 -0.14 0.00 -0.01 0.00 0.00 57.00 55.68 3df2 n GLN 61 Cb 0.00 -2.21 -0.15 0.00 1.02 0.00 0.00 30.24 28.90 3df2 n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3df2 s LEU 62 N 0.06 0.89 0.06 1.08 1.98 -1.19 -4.91 118.68 116.65 3df2 s LEU 62 Ca 0.43 0.21 -0.33 0.00 -2.89 0.00 0.00 54.13 51.55 3df2 s LEU 62 Cb 0.15 0.22 -0.19 0.00 0.66 0.00 0.00 46.19 47.03 3df2 s LEU 62 CO -0.02 -0.14 1.56 0.50 -1.89 0.00 0.00 176.35 176.37 3df2 h LYS 63 N 7.18 -0.92 -2.57 1.98 3.11 -1.88 -3.46 116.57 120.01 3df2 h LYS 63 Ca -0.43 0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 57.38 3df2 h LYS 63 Cb 1.14 0.21 -0.20 0.00 -1.00 0.00 0.00 32.23 32.38 3df2 h LYS 63 CO 0.44 -0.60 -0.08 -0.47 -2.81 0.00 0.00 179.45 175.93 3df2 s TYR 64 N -5.89 -0.41 0.74 1.91 5.04 -1.26 -5.16 117.35 112.32 3df2 s TYR 64 Ca -0.18 0.73 -0.11 0.00 -2.44 0.00 0.00 57.07 55.07 3df2 s TYR 64 Cb 0.03 0.23 0.03 0.00 0.35 0.00 0.00 41.96 42.60 3df2 s TYR 64 CO 0.60 -0.46 1.08 0.95 -1.34 0.00 0.00 175.55 176.38 3df2 s THR 65 N -1.09 3.63 -1.06 4.34 -4.23 -1.26 -3.53 115.64 112.43 3df2 s THR 65 Ca -0.11 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 3df2 s THR 65 Cb -0.03 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.51 3df2 s THR 65 CO 0.06 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 3df2 n GLY 66 N -2.13 -0.33 2.52 3.99 0.00 -1.26 -4.79 105.19 103.19 3df2 n GLY 66 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3df2 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3df2 n ASN 67 N -1.65 7.47 0.00 1.61 2.85 -1.23 -4.94 115.26 119.37 3df2 n ASN 67 Ca -0.14 -3.71 0.00 0.00 -0.11 0.00 0.00 54.58 50.62 3df2 n ASN 67 Cb 0.59 -1.04 0.00 0.00 1.24 0.00 0.00 39.78 40.57 3df2 n ASN 67 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3df2 n LYS 68 N -0.55 0.00 0.26 1.20 5.02 -1.26 -2.22 118.16 120.61 3df2 n LYS 68 Ca 0.56 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 57.01 3df2 n LYS 68 Cb 0.49 0.00 0.89 0.00 -0.02 0.00 0.00 35.03 36.39 3df2 n LYS 68 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3df2 h ASP 69 N 0.00 0.00 0.23 4.39 3.32 -1.95 0.75 116.42 123.16 3df2 h ASP 69 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3df2 h ASP 69 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3df2 h ASP 69 CO 0.00 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.40 3df2 h ALA 70 N 1.89 1.49 0.08 3.45 0.00 -1.70 -1.19 119.26 123.26 3df2 h ALA 70 Ca 0.04 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 3df2 h ALA 70 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3df2 h ALA 70 CO -0.00 0.15 -1.19 0.00 0.00 0.00 0.00 179.25 178.21 3df2 h ALA 71 N 1.88 0.17 -0.97 0.00 0.00 0.21 -3.28 119.26 117.27 3df2 h ALA 71 Ca -0.00 -1.03 0.25 0.00 0.00 0.00 0.00 54.91 54.13 3df2 h ALA 71 Cb 0.27 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3df2 h ALA 71 CO 0.02 0.69 0.66 0.00 0.00 0.00 0.00 179.25 180.62 3df2 h ALA 72 N -0.13 2.48 -0.26 0.00 0.00 -0.87 0.93 119.26 121.41 3df2 h ALA 72 Ca -0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3df2 h ALA 72 Cb 1.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3df2 h ALA 72 CO -0.00 -0.80 0.10 0.00 0.00 0.00 0.00 179.25 178.55 3df2 h ALA 73 N 1.58 0.33 -0.13 0.00 0.00 -1.32 0.43 119.26 120.14 3df2 h ALA 73 Ca 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 3df2 h ALA 73 Cb 1.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3df2 h ALA 73 CO -0.15 -0.07 -0.12 0.28 0.00 0.00 0.00 179.25 179.19 3df2 h VAL 74 N 0.26 1.16 0.09 0.00 2.07 0.54 -1.48 116.25 118.89 3df2 h VAL 74 Ca 0.08 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3df2 h VAL 74 Cb 0.19 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3df2 h VAL 74 CO -0.01 0.22 -0.04 1.23 0.02 0.00 0.00 177.57 178.99 3df2 h GLY 75 N 0.68 -0.13 1.09 2.17 0.00 0.94 -2.63 103.07 105.18 3df2 h GLY 75 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3df2 h GLY 75 CO 0.02 -0.05 0.00 1.17 0.00 0.00 0.00 176.54 177.68 3df2 n LYS 76 N -4.93 0.47 0.00 4.80 4.81 0.14 -2.37 118.16 121.08 3df2 n LYS 76 Ca -0.09 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3df2 n LYS 76 Cb 0.25 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3df2 n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df2 n ALA 77 N -1.04 0.00 -0.23 3.14 0.00 -0.58 -3.88 120.51 117.92 3df2 n ALA 77 Ca 0.12 -0.02 0.31 0.00 0.00 0.00 0.00 53.44 53.85 3df2 n ALA 77 Cb 0.07 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.24 3df2 n ALA 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3df2 h VAL 78 N 0.00 0.41 0.00 0.00 -1.51 -1.55 0.05 116.25 113.65 3df2 h VAL 78 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3df2 h VAL 78 Cb 0.00 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 3df2 h VAL 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3df2 n ALA 79 N -2.67 0.00 0.33 5.19 0.00 -1.00 0.00 120.51 122.37 3df2 n ALA 79 Ca 0.21 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.86 3df2 n ALA 79 Cb 1.11 0.10 1.13 0.00 0.00 0.00 0.00 19.45 21.79 3df2 n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3df2 h GLU 80 N 0.00 0.00 0.00 0.00 4.11 -1.61 0.58 114.58 117.66 3df2 h GLU 80 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 3df2 h GLU 80 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3df2 h GLU 80 CO 0.00 0.00 -0.21 -0.09 0.07 0.00 0.00 179.01 178.78 3df2 h ARG 81 N 0.00 0.00 0.03 1.06 9.65 -0.50 -0.34 114.38 124.27 3df2 h ARG 81 Ca 0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.62 3df2 h ARG 81 Cb 0.06 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3df2 h ARG 81 CO -0.00 0.21 -1.43 0.00 2.80 0.00 0.00 179.97 181.55 3df2 n ALA 82 N -2.37 0.81 -0.28 2.80 0.00 0.19 -3.46 120.51 118.19 3df2 n ALA 82 Ca -0.02 -0.51 0.24 0.00 0.00 0.00 0.00 53.44 53.15 3df2 n ALA 82 Cb 0.30 -0.58 0.56 0.00 0.00 0.00 0.00 19.45 19.73 3df2 n ALA 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3df2 h LEU 83 N -0.79 0.34 0.37 0.00 4.07 -0.72 0.52 115.31 119.10 3df2 h LEU 83 Ca -0.37 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 3df2 h LEU 83 Cb 1.46 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 3df2 h LEU 83 CO -0.16 0.09 -0.18 -0.08 -1.08 0.00 0.00 178.44 177.04 3df2 h GLU 84 N 0.31 -0.48 0.00 1.13 4.57 -1.19 -0.28 114.58 118.63 3df2 h GLU 84 Ca 0.54 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 3df2 h GLU 84 Cb 1.52 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.22 3df2 h GLU 84 CO -0.20 -0.21 0.01 1.63 -1.18 0.00 0.00 179.01 179.06 3df2 n LYS 85 N -5.22 0.00 0.00 1.92 4.76 0.15 -4.72 118.16 115.05 3df2 n LYS 85 Ca -0.10 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3df2 n LYS 85 Cb 0.27 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3df2 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df2 n GLY 86 N -1.21 2.66 3.65 0.72 0.00 0.64 -4.99 105.19 106.66 3df2 n GLY 86 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3df2 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df2 s ILE 87 N -2.11 3.90 0.18 -0.61 -1.09 -0.08 -4.82 121.20 116.57 3df2 s ILE 87 Ca 0.00 1.07 -0.11 0.00 -2.23 0.00 0.00 60.65 59.39 3df2 s ILE 87 Cb 0.00 -3.75 -0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3df2 s ILE 87 CO 0.00 -0.16 0.34 -0.75 -1.23 0.00 0.00 174.94 173.14 3df2 s LYS 88 N 3.97 1.23 -0.29 2.79 2.36 -1.26 -2.40 119.74 126.15 3df2 s LYS 88 Ca 0.65 -1.14 -0.06 0.00 -2.55 0.00 0.00 55.97 52.87 3df2 s LYS 88 Cb -0.26 0.41 0.01 0.00 -1.05 0.00 0.00 37.83 36.93 3df2 s LYS 88 CO 0.23 -0.47 0.22 -3.47 1.55 0.00 0.00 175.35 173.41 3df2 n ASP 89 N -0.25 -6.75 -3.72 1.43 4.64 -1.26 -4.84 116.55 105.79 3df2 n ASP 89 Ca -0.07 0.82 -0.16 0.00 -1.38 0.00 0.00 54.79 54.00 3df2 n ASP 89 Cb 0.63 -4.46 -0.09 0.00 -1.04 0.00 0.00 41.12 36.16 3df2 n ASP 89 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3df2 s VAL 90 N -1.74 0.00 0.69 5.18 -7.23 -1.25 -4.87 120.40 111.19 3df2 s VAL 90 Ca 0.09 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3df2 s VAL 90 Cb -0.03 -2.50 0.14 0.00 0.56 0.00 0.00 36.38 34.55 3df2 s VAL 90 CO 0.62 0.00 0.95 -1.20 -0.31 0.00 0.00 175.10 175.15 3df2 n SER 91 N -0.97 1.14 -3.72 4.85 7.64 -1.11 -4.57 113.62 116.88 3df2 n SER 91 Ca 0.04 -1.99 -0.23 0.00 1.01 0.00 0.00 58.87 57.70 3df2 n SER 91 Cb 0.64 -0.63 -0.17 0.00 -1.01 0.00 0.00 64.21 63.04 3df2 n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3df2 s PHE 92 N -2.90 0.53 -0.79 1.43 5.36 -1.26 -2.14 117.98 118.21 3df2 s PHE 92 Ca 0.62 -0.20 -0.17 0.00 -0.96 0.00 0.00 56.93 56.22 3df2 s PHE 92 Cb -0.03 -0.75 0.16 0.00 -0.34 0.00 0.00 43.02 42.05 3df2 s PHE 92 CO 0.41 -0.36 0.86 0.34 -1.46 0.00 0.00 175.22 175.01 3df2 s ASP 93 N 2.02 6.55 0.00 6.13 3.68 -1.17 -4.87 116.67 129.01 3df2 s ASP 93 Ca 0.04 -2.13 0.02 0.00 2.13 0.00 0.00 52.55 52.61 3df2 s ASP 93 Cb -0.13 -2.30 0.11 0.00 -1.45 0.00 0.00 42.92 39.15 3df2 s ASP 93 CO -0.06 -0.88 0.39 -2.11 0.13 0.00 0.00 175.17 172.64 3df2 n ARG 94 N 5.47 0.14 -2.63 4.34 1.85 -1.26 -2.60 116.66 121.97 3df2 n ARG 94 Ca 0.10 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.77 3df2 n ARG 94 Cb 0.46 -1.21 0.02 0.00 -1.05 0.00 0.00 32.46 30.68 3df2 n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3df2 n SER 95 N -0.71 -4.04 -0.87 2.89 7.64 -1.26 -0.50 113.62 116.76 3df2 n SER 95 Ca 0.01 0.01 -0.06 0.00 1.01 0.00 0.00 58.87 59.85 3df2 n SER 95 Cb 0.01 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 3df2 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df2 n GLY 96 N 0.25 0.54 3.79 0.23 0.00 -1.25 -4.91 105.19 103.84 3df2 n GLY 96 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3df2 n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df2 s PHE 97 N -1.30 3.02 -0.41 1.61 0.08 0.34 -4.77 117.98 116.55 3df2 s PHE 97 Ca 0.00 -0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.73 3df2 s PHE 97 Cb 0.00 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3df2 s PHE 97 CO 0.00 0.54 0.51 -1.14 -0.10 0.00 0.00 175.22 175.03 3df2 s GLN 98 N -3.80 3.27 -0.59 0.44 -0.44 -1.26 -4.86 119.66 112.42 3df2 s GLN 98 Ca 0.33 -0.52 -0.26 0.00 -2.50 0.00 0.00 55.36 52.41 3df2 s GLN 98 Cb -0.08 -3.92 -0.10 0.00 -1.64 0.00 0.00 33.01 27.27 3df2 s GLN 98 CO 0.24 -0.84 2.43 0.98 0.50 0.00 0.00 175.29 178.60 3df2 n TYR 99 N 5.80 1.31 0.02 1.67 4.19 -1.26 -3.87 117.16 125.02 3df2 n TYR 99 Ca -0.05 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.26 3df2 n TYR 99 Cb 0.48 -2.59 0.00 0.00 0.49 0.00 0.00 39.34 37.72 3df2 n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 3df2 n HIS 100 N 16.11 -1.57 0.00 2.98 -0.00 -1.26 -4.79 115.22 126.69 3df2 n HIS 100 Ca 0.41 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.76 3df2 n HIS 100 Cb 0.49 0.63 0.00 0.00 -0.12 0.00 0.00 29.99 30.99 3df2 n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3df2 n GLY 101 N -1.19 0.01 0.25 1.57 0.00 -1.25 -4.07 105.19 100.51 3df2 n GLY 101 Ca 0.00 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.07 3df2 n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3df2 h ARG 102 N 0.00 0.00 -0.15 1.61 3.08 -1.91 -0.76 114.38 116.25 3df2 h ARG 102 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3df2 h ARG 102 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3df2 h ARG 102 CO 0.00 0.00 -0.53 0.28 -1.07 0.00 0.00 179.97 178.65 3df2 h VAL 103 N 0.00 1.33 -0.93 2.04 2.07 -1.87 -2.86 116.25 116.04 3df2 h VAL 103 Ca 0.00 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 65.76 3df2 h VAL 103 Cb 0.12 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3df2 h VAL 103 CO 0.00 0.55 0.60 -0.61 0.02 0.00 0.00 177.57 178.13 3df2 h GLN 104 N 0.27 1.12 -7.44 1.57 4.15 -1.29 -3.20 115.11 110.30 3df2 h GLN 104 Ca -0.03 -0.07 -0.48 0.00 0.77 0.00 0.00 58.65 58.85 3df2 h GLN 104 Cb 1.16 -0.25 0.12 0.00 0.21 0.00 0.00 27.48 28.72 3df2 h GLN 104 CO 0.11 0.74 0.32 0.00 -1.93 0.00 0.00 178.83 178.08 3df2 s ALA 105 N -6.09 2.08 0.00 3.38 0.00 -1.01 -2.89 121.76 117.24 3df2 s ALA 105 Ca -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3df2 s ALA 105 Cb 0.18 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3df2 s ALA 105 CO 0.80 -1.92 0.00 1.47 0.00 0.00 0.00 175.76 176.11 3df2 n LEU 106 N -3.55 0.00 0.00 0.00 -0.00 -1.26 -4.60 117.00 107.59 3df2 n LEU 106 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 3df2 n LEU 106 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3df2 n LEU 106 CO 0.57 0.00 0.06 0.00 -0.00 0.00 0.00 177.39 178.02 3df2 n ALA 107 N 0.00 0.00 0.21 1.47 0.00 -1.21 0.95 120.51 121.94 3df2 n ALA 107 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3df2 n ALA 107 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.19 3df2 n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3df2 h ASP 108 N 0.00 0.00 0.05 0.00 -0.00 -1.78 0.64 116.42 115.33 3df2 h ASP 108 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3df2 h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3df2 h ASP 108 CO 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 179.24 179.22 3df2 h ALA 109 N 1.31 -0.07 -0.11 4.15 0.00 -1.76 0.12 119.26 122.90 3df2 h ALA 109 Ca 0.10 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3df2 h ALA 109 Cb 0.98 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3df2 h ALA 109 CO -0.00 -0.37 -0.52 0.00 0.00 0.00 0.00 179.25 178.36 3df2 h ALA 110 N 0.52 0.90 -0.72 0.00 0.00 0.57 0.85 119.26 121.39 3df2 h ALA 110 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3df2 h ALA 110 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3df2 h ALA 110 CO 0.01 0.68 0.40 0.00 0.00 0.00 0.00 179.25 180.34 3df2 h ARG 111 N 0.24 0.99 0.00 0.00 3.08 0.01 -0.14 114.38 118.56 3df2 h ARG 111 Ca 0.01 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 3df2 h ARG 111 Cb 1.00 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 3df2 h ARG 111 CO 0.08 0.74 -0.97 1.49 -1.07 0.00 0.00 179.97 180.24 3df2 h GLU 112 N 0.98 0.00 0.00 0.04 4.22 -0.51 -3.24 114.58 116.08 3df2 h GLU 112 Ca 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.65 3df2 h GLU 112 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3df2 h GLU 112 CO -0.04 0.77 -0.18 0.00 -2.18 0.00 0.00 179.01 177.38 3df2 h ALA 113 N 1.16 1.40 0.00 2.92 0.00 0.14 -3.46 119.26 121.42 3df2 h ALA 113 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3df2 h ALA 113 Cb 1.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3df2 h ALA 113 CO 0.10 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3df2 n GLY 114 N -0.70 -0.41 3.44 0.00 0.00 -0.14 -4.81 105.19 102.58 3df2 n GLY 114 Ca -0.02 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3df2 n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df2 n LEU 115 N 0.00 -0.35 -4.38 0.99 7.99 -0.77 -4.82 117.00 115.66 3df2 n LEU 115 Ca 0.00 0.98 -0.46 0.00 -0.01 0.00 0.00 56.01 56.53 3df2 n LEU 115 Cb 0.00 -1.08 -0.02 0.00 -0.11 0.00 0.00 43.42 42.21 3df2 n LEU 115 CO 0.00 -2.84 0.73 -1.10 -1.51 0.00 0.00 177.39 172.67 3df2 s GLN 116 N -1.39 3.73 0.00 3.23 1.11 -1.26 -4.41 119.66 120.67 3df2 s GLN 116 Ca 0.62 -2.37 0.00 0.00 0.01 0.00 0.00 55.36 53.62 3df2 s GLN 116 Cb -0.69 -4.65 0.00 0.00 -1.01 0.00 0.00 33.01 26.66 3df2 s GLN 116 CO 0.59 -1.47 0.00 1.97 0.01 0.00 0.00 175.29 176.39