#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 n ARG 2 N 0.00 1.30 0.00 0.00 5.12 -1.26 -4.84 116.66 116.98 3df1 n ARG 2 Ca 0.00 -2.64 0.00 0.00 -1.93 0.00 0.00 57.85 53.28 3df1 n ARG 2 Cb 0.00 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.53 3df1 n ARG 2 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3df1 n TYR 3 N -0.51 0.00 -4.50 -1.55 9.36 -1.26 -4.64 117.16 114.06 3df1 n TYR 3 Ca 0.02 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.83 3df1 n TYR 3 Cb 0.83 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.46 3df1 n TYR 3 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3df1 n LEU 4 N 0.00 -0.86 0.00 2.98 -0.00 -1.26 -4.90 117.00 112.96 3df1 n LEU 4 Ca 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 56.01 54.75 3df1 n LEU 4 Cb 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 41.82 3df1 n LEU 4 CO 0.00 0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 3df1 n GLY 5 N -1.37 4.85 3.56 1.47 0.00 -1.26 -5.06 105.19 107.38 3df1 n GLY 5 Ca 0.03 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 3df1 n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3df1 s PRO 6 N -1.00 2.30 0.49 1.61 0.04 -1.26 -4.82 135.00 132.36 3df1 s PRO 6 Ca 0.00 0.10 0.33 0.00 0.04 0.00 0.00 61.00 61.47 3df1 s PRO 6 Cb 0.00 -4.89 1.45 0.00 0.04 0.00 0.00 34.50 31.10 3df1 s PRO 6 CO 0.00 -3.57 1.71 0.87 0.04 0.00 0.00 177.00 176.05 3df1 h LYS 7 N 12.49 0.11 -0.47 4.56 1.57 -1.97 0.09 116.57 132.95 3df1 h LYS 7 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3df1 h LYS 7 Cb 1.04 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3df1 h LYS 7 CO 1.16 0.07 0.31 -0.07 -0.57 0.00 0.00 179.45 180.35 3df1 h LEU 8 N 0.11 0.55 -0.95 2.94 -0.00 -1.96 -2.82 115.31 113.18 3df1 h LEU 8 Ca 0.70 -0.02 0.29 0.00 -0.00 0.00 0.00 57.88 58.85 3df1 h LEU 8 Cb 2.43 -0.14 -0.17 0.00 -0.00 0.00 0.00 40.66 42.79 3df1 h LEU 8 CO -0.18 0.40 0.23 0.50 -0.00 0.00 0.00 178.44 179.39 3df1 h LYS 9 N 0.64 0.09 0.32 1.13 3.64 -1.33 -1.69 116.57 119.38 3df1 h LYS 9 Ca 0.17 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3df1 h LYS 9 Cb -0.06 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3df1 h LYS 9 CO -0.04 0.06 -0.19 -0.07 -2.27 0.00 0.00 179.45 176.95 3df1 h LEU 10 N 0.10 -0.47 -0.98 5.20 3.38 -1.63 -1.30 115.31 119.60 3df1 h LEU 10 Ca 0.63 0.02 0.33 0.00 0.09 0.00 0.00 57.88 58.96 3df1 h LEU 10 Cb 1.40 0.13 -0.17 0.00 0.09 0.00 0.00 40.66 42.11 3df1 h LEU 10 CO -0.78 -0.30 0.31 0.28 0.09 0.00 0.00 178.44 178.05 3df1 h SER 11 N -0.48 -0.00 0.27 -0.43 0.02 -1.39 0.23 113.55 111.77 3df1 h SER 11 Ca -0.04 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3df1 h SER 11 Cb 0.38 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3df1 h SER 11 CO 0.05 -0.35 -0.13 0.03 -1.14 0.00 0.00 176.83 175.29 3df1 h ARG 12 N 0.06 -0.35 0.20 3.45 3.08 -1.20 0.12 114.38 119.74 3df1 h ARG 12 Ca 0.71 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.78 3df1 h ARG 12 Cb 1.68 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 3df1 h ARG 12 CO -0.80 -0.11 -0.24 -0.09 -1.07 0.00 0.00 179.97 177.66 3df1 h ARG 13 N -0.55 -0.43 -0.15 0.04 9.65 0.57 -3.14 114.38 120.38 3df1 h ARG 13 Ca -0.04 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3df1 h ARG 13 Cb 0.40 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 29.01 3df1 h ARG 13 CO 0.06 -0.29 -0.52 0.93 2.80 0.00 0.00 179.97 182.96 3df1 h GLU 14 N -0.45 -0.54 0.00 0.20 4.39 -1.16 -3.47 114.58 113.55 3df1 h GLU 14 Ca -0.02 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3df1 h GLU 14 Cb 0.40 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3df1 h GLU 14 CO -0.05 -0.36 0.00 0.41 -1.16 0.00 0.00 179.01 177.85 3df1 n GLY 15 N -1.44 1.43 3.49 -3.84 0.00 -0.02 -5.09 105.19 99.73 3df1 n GLY 15 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3df1 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df1 s THR 16 N -2.00 0.00 -0.86 2.61 2.01 -0.88 -5.00 115.64 111.52 3df1 s THR 16 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 3df1 s THR 16 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3df1 s THR 16 CO 0.00 0.00 1.67 -0.62 -0.69 0.00 0.00 174.62 174.98 3df1 s ASP 17 N -2.38 5.76 0.00 3.53 -1.08 -1.26 -4.38 116.67 116.85 3df1 s ASP 17 Ca 0.03 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 3df1 s ASP 17 Cb -0.01 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3df1 s ASP 17 CO -0.08 -2.15 0.22 0.18 0.52 0.00 0.00 175.17 173.86 3df1 n LEU 18 N 11.42 0.07 0.00 -1.34 4.32 -1.26 -4.75 117.00 125.45 3df1 n LEU 18 Ca 0.28 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 3df1 n LEU 18 Cb 0.49 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 3df1 n LEU 18 CO 0.66 0.02 0.00 0.49 -1.22 0.00 0.00 177.39 177.33 3df1 n PHE 19 N -0.27 0.00 0.13 -1.77 3.72 -1.26 -4.74 117.46 113.26 3df1 n PHE 19 Ca 0.00 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.59 3df1 n PHE 19 Cb 0.02 -1.51 0.66 0.00 -0.94 0.00 0.00 39.48 37.71 3df1 n PHE 19 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3df1 h LEU 20 N 0.00 0.00 -5.14 4.37 3.38 -1.92 0.20 115.31 116.21 3df1 h LEU 20 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3df1 h LEU 20 Cb 0.07 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.41 3df1 h LEU 20 CO 0.00 0.00 -0.90 0.29 0.09 0.00 0.00 178.44 177.92 3df1 n LYS 21 N -3.33 2.37 0.00 1.13 4.01 -1.26 -4.86 118.16 116.22 3df1 n LYS 21 Ca 0.07 -4.10 0.00 0.00 -0.51 0.00 0.00 58.31 53.77 3df1 n LYS 21 Cb 0.72 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 3df1 n LYS 21 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3df1 n SER 22 N -0.17 0.00 -4.46 4.39 7.64 0.71 -4.64 113.62 117.09 3df1 n SER 22 Ca 0.27 0.19 -0.48 0.00 1.01 0.00 0.00 58.87 59.86 3df1 n SER 22 Cb 0.62 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 3df1 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df1 n GLY 23 N -1.11 0.41 0.12 0.23 0.00 -1.26 -4.76 105.19 98.82 3df1 n GLY 23 Ca 0.00 0.92 0.02 0.00 0.00 0.00 0.00 46.02 46.96 3df1 n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df1 n VAL 24 N 7.32 -0.14 -1.60 1.61 0.24 -1.26 -4.08 118.33 120.42 3df1 n VAL 24 Ca 0.42 0.75 -0.39 0.00 -2.04 0.00 0.00 64.34 63.08 3df1 n VAL 24 Cb 0.25 -1.04 0.04 0.00 -1.47 0.00 0.00 33.84 31.62 3df1 n VAL 24 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3df1 n ARG 25 N -4.51 1.00 0.00 7.34 -4.01 -1.26 -3.94 116.66 111.28 3df1 n ARG 25 Ca 0.05 0.38 0.00 0.00 -1.04 0.00 0.00 57.85 57.24 3df1 n ARG 25 Cb 0.17 -2.07 0.00 0.00 -3.04 0.00 0.00 32.46 27.52 3df1 n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3df1 n ALA 26 N -1.33 0.00 -2.82 2.89 0.00 -1.26 -4.81 120.51 113.17 3df1 n ALA 26 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 3df1 n ALA 26 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 3df1 n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3df1 n ILE 27 N 0.00 -9.30 -0.43 0.00 5.41 -1.25 -4.82 119.36 108.96 3df1 n ILE 27 Ca 0.00 1.62 0.05 0.00 1.00 0.00 0.00 62.75 65.43 3df1 n ILE 27 Cb 0.00 -5.70 -0.03 0.00 -0.71 0.00 0.00 39.64 33.20 3df1 n ILE 27 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3df1 n ASP 28 N 1.18 -2.47 -1.36 4.38 5.75 -1.26 -5.03 116.55 117.73 3df1 n ASP 28 Ca -0.09 0.38 0.18 0.00 -0.01 0.00 0.00 54.79 55.26 3df1 n ASP 28 Cb 0.24 -1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 38.81 3df1 n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3df1 n THR 29 N -2.86 0.00 -3.17 2.12 -1.04 -1.26 -4.88 114.28 103.19 3df1 n THR 29 Ca -0.02 0.32 -0.20 0.00 -2.04 0.00 0.00 64.05 62.10 3df1 n THR 29 Cb 0.21 -0.78 0.05 0.00 -1.82 0.00 0.00 70.33 67.98 3df1 n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3df1 n LYS 30 N -4.15 -5.56 0.00 -2.82 4.01 -1.26 -4.73 118.16 103.64 3df1 n LYS 30 Ca -0.02 0.77 0.00 0.00 -0.51 0.00 0.00 58.31 58.55 3df1 n LYS 30 Cb 0.63 -5.47 0.00 0.00 -0.51 0.00 0.00 35.03 29.68 3df1 n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3df1 n LYS 32 N 0.00 -1.01 -1.20 0.00 5.02 -1.26 -4.97 118.16 114.74 3df1 n LYS 32 Ca 0.00 0.79 -0.35 0.00 -2.02 0.00 0.00 58.31 56.74 3df1 n LYS 32 Cb 0.24 -4.96 0.10 0.00 -0.02 0.00 0.00 35.03 30.39 3df1 n LYS 32 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3df1 n ILE 33 N -3.39 2.15 -3.95 -0.18 0.13 -1.26 -2.76 119.36 110.11 3df1 n ILE 33 Ca -0.15 -0.30 -0.31 0.00 -1.10 0.00 0.00 62.75 60.89 3df1 n ILE 33 Cb 0.54 -1.05 0.02 0.00 -0.84 0.00 0.00 39.64 38.31 3df1 n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3df1 n GLU 34 N -2.22 -5.05 0.00 9.51 4.07 -1.26 -4.74 120.64 120.94 3df1 n GLU 34 Ca 0.12 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.78 3df1 n GLU 34 Cb 0.50 -5.42 0.00 0.00 -0.06 0.00 0.00 31.44 26.46 3df1 n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3df1 n GLN 35 N -4.60 0.00 -3.14 5.31 6.02 -1.11 -5.08 117.38 114.78 3df1 n GLN 35 Ca 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.08 3df1 n GLN 35 Cb 0.52 -0.44 -0.00 0.00 1.02 0.00 0.00 30.24 31.34 3df1 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df1 s ALA 36 N -1.00 -3.01 0.55 -1.58 0.00 -1.24 -4.33 121.76 111.15 3df1 s ALA 36 Ca 0.00 1.11 0.29 0.00 0.00 0.00 0.00 51.96 53.36 3df1 s ALA 36 Cb 0.00 -2.67 1.46 0.00 0.00 0.00 0.00 23.12 21.91 3df1 s ALA 36 CO 0.00 -1.96 1.93 -1.35 0.00 0.00 0.00 175.76 174.38 3df1 h PRO 37 N 7.61 0.00 0.00 0.00 0.11 -1.86 -3.44 132.00 134.42 3df1 h PRO 37 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3df1 h PRO 37 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3df1 h PRO 37 CO 0.06 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.26 3df1 n GLY 38 N -1.64 5.43 1.21 -0.55 0.00 -1.26 -4.53 105.19 103.85 3df1 n GLY 38 Ca 0.13 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.45 3df1 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df1 n GLN 39 N 0.00 2.62 -0.90 1.61 -0.00 -1.26 -4.05 117.38 115.39 3df1 n GLN 39 Ca 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 57.00 54.69 3df1 n GLN 39 Cb 0.00 -1.55 -0.00 0.00 -0.00 0.00 0.00 30.24 28.69 3df1 n GLN 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3df1 n HIS 40 N 1.30 0.00 0.08 2.61 8.25 -1.26 -4.90 115.22 121.29 3df1 n HIS 40 Ca 0.21 -0.23 0.21 0.00 -0.26 0.00 0.00 57.72 57.65 3df1 n HIS 40 Cb 0.58 0.03 0.70 0.00 1.12 0.00 0.00 29.99 32.42 3df1 n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3df1 h GLY 41 N 0.34 0.00 2.00 -1.41 0.00 -1.84 0.39 103.07 102.55 3df1 h GLY 41 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3df1 h GLY 41 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3df1 h ALA 42 N 1.31 1.00 -2.75 3.60 0.00 -1.91 -3.43 119.26 117.08 3df1 h ALA 42 Ca 0.21 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.60 3df1 h ALA 42 Cb 1.32 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.16 3df1 h ALA 42 CO -0.00 0.00 0.70 1.03 0.00 0.00 0.00 179.25 180.97 3df1 s ARG 43 N -4.01 4.33 -0.34 0.00 1.81 0.14 -4.93 118.95 115.95 3df1 s ARG 43 Ca -0.03 2.20 -0.29 0.00 -1.72 0.00 0.00 55.73 55.89 3df1 s ARG 43 Cb 0.12 -3.13 -0.01 0.00 -0.45 0.00 0.00 34.95 31.48 3df1 s ARG 43 CO 0.44 -0.31 1.63 0.21 -0.68 0.00 0.00 175.30 176.59 3df1 s LYS 44 N -0.61 3.49 -1.19 3.54 2.36 -1.26 -4.91 119.74 121.15 3df1 s LYS 44 Ca 0.56 1.28 -0.22 0.00 -2.55 0.00 0.00 55.97 55.04 3df1 s LYS 44 Cb -0.40 -4.11 -0.06 0.00 -1.05 0.00 0.00 37.83 32.21 3df1 s LYS 44 CO 0.44 -1.67 1.90 -0.35 1.55 0.00 0.00 175.35 177.22 3df1 n PRO 45 N 8.19 1.89 -2.90 4.03 -0.04 -1.26 -4.90 135.00 140.01 3df1 n PRO 45 Ca 0.20 -2.59 -0.44 0.00 -0.04 0.00 0.00 63.50 60.63 3df1 n PRO 45 Cb 0.47 -3.65 -0.02 0.00 -0.04 0.00 0.00 33.50 30.25 3df1 n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3df1 s ARG 46 N 5.98 3.65 0.24 0.54 0.52 -1.26 -4.99 118.95 123.63 3df1 s ARG 46 Ca 0.65 -1.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.16 3df1 s ARG 46 Cb 0.01 -4.97 -0.04 0.00 0.52 0.00 0.00 34.95 30.47 3df1 s ARG 46 CO 0.12 -1.81 -0.04 -0.48 0.02 0.00 0.00 175.30 173.12 3df1 s LEU 47 N 2.75 3.11 0.00 2.53 0.05 -1.26 -5.09 118.68 120.77 3df1 s LEU 47 Ca 0.35 -0.65 0.00 0.00 0.05 0.00 0.00 54.13 53.88 3df1 s LEU 47 Cb -0.04 -1.67 0.00 0.00 -2.05 0.00 0.00 46.19 42.43 3df1 s LEU 47 CO -0.08 0.03 0.00 -0.24 -0.55 0.00 0.00 176.35 175.50 3df1 n SER 48 N -0.64 1.06 -0.25 1.48 2.88 -1.26 -4.73 113.62 112.16 3df1 n SER 48 Ca -0.07 -0.73 -0.04 0.00 -1.33 0.00 0.00 58.87 56.70 3df1 n SER 48 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 3df1 n SER 48 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3df1 n ASP 49 N -1.41 -0.53 0.24 -3.46 9.92 -1.26 0.36 116.55 120.41 3df1 n ASP 49 Ca 0.00 1.08 -0.15 0.00 -0.53 0.00 0.00 54.79 55.19 3df1 n ASP 49 Cb 0.00 -0.19 -0.08 0.00 -0.64 0.00 0.00 41.12 40.21 3df1 n ASP 49 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 3df1 h TYR 50 N 0.00 -0.53 -0.98 1.24 3.20 -1.97 0.53 116.97 118.45 3df1 h TYR 50 Ca 0.15 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.24 3df1 h TYR 50 Cb 0.31 0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.67 3df1 h TYR 50 CO -0.59 -0.28 0.64 0.78 -1.64 0.00 0.00 178.16 177.07 3df1 h GLY 51 N -0.67 1.07 0.06 1.82 0.00 -0.58 0.71 103.07 105.49 3df1 h GLY 51 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3df1 h GLY 51 CO 0.10 -0.06 -0.01 -2.08 0.00 0.00 0.00 176.54 174.48 3df1 h VAL 52 N 0.42 0.89 -0.65 4.60 2.07 0.24 -3.00 116.25 120.82 3df1 h VAL 52 Ca 0.54 -1.59 0.12 0.00 0.82 0.00 0.00 66.70 66.58 3df1 h VAL 52 Cb 1.32 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 32.67 3df1 h VAL 52 CO -0.24 0.29 0.22 1.56 0.02 0.00 0.00 177.57 179.42 3df1 h GLN 53 N -0.98 0.36 -0.55 1.57 4.20 0.76 0.49 115.11 120.96 3df1 h GLN 53 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3df1 h GLN 53 Cb 0.51 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3df1 h GLN 53 CO 0.01 0.24 0.32 1.25 -0.67 0.00 0.00 178.83 179.98 3df1 h LEU 54 N 0.37 0.66 -0.11 1.46 7.12 0.28 0.24 115.31 125.34 3df1 h LEU 54 Ca 0.34 -0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 3df1 h LEU 54 Cb 0.49 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.44 3df1 h LEU 54 CO -0.37 0.54 -0.07 -0.09 -0.13 0.00 0.00 178.44 178.32 3df1 h ARG 55 N 0.73 0.24 -0.52 1.25 9.65 -1.16 -0.61 114.38 123.96 3df1 h ARG 55 Ca 0.19 -0.11 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 3df1 h ARG 55 Cb 0.00 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 3df1 h ARG 55 CO -0.04 0.61 0.35 1.49 2.80 0.00 0.00 179.97 185.19 3df1 h GLU 56 N -0.14 0.51 0.16 0.20 4.57 0.12 -1.17 114.58 118.83 3df1 h GLU 56 Ca 0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3df1 h GLU 56 Cb 0.55 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3df1 h GLU 56 CO 0.02 0.34 -0.08 -0.22 -1.18 0.00 0.00 179.01 177.89 3df1 h LYS 57 N 0.52 -0.21 -0.63 1.92 3.11 -0.34 -3.28 116.57 117.66 3df1 h LYS 57 Ca 0.22 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.17 3df1 h LYS 57 Cb 0.21 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.42 3df1 h LYS 57 CO -0.06 0.22 0.24 1.96 -2.81 0.00 0.00 179.45 179.00 3df1 h GLN 58 N -0.83 0.41 0.00 1.90 7.50 -0.79 -2.03 115.11 121.28 3df1 h GLN 58 Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.10 3df1 h GLN 58 Cb 0.53 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.96 3df1 h GLN 58 CO 0.04 0.27 0.00 1.17 -1.50 0.00 0.00 178.83 178.81 3df1 n LYS 59 N -4.99 0.00 0.31 1.46 4.81 -0.47 -0.19 118.16 119.10 3df1 n LYS 59 Ca 0.09 0.64 0.16 0.00 -0.87 0.00 0.00 58.31 58.34 3df1 n LYS 59 Cb 0.29 -1.29 0.88 0.00 0.02 0.00 0.00 35.03 34.92 3df1 n LYS 59 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 3df1 h VAL 60 N 0.00 0.00 0.09 3.15 3.04 -1.61 -1.70 116.25 119.22 3df1 h VAL 60 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 3df1 h VAL 60 Cb 0.00 0.71 0.01 0.00 -2.01 0.00 0.00 31.29 30.01 3df1 h VAL 60 CO 0.00 0.00 -0.56 -0.09 -1.01 0.00 0.00 177.57 175.91 3df1 h ARG 61 N 0.00 0.22 -0.00 4.17 2.43 -0.33 -3.33 114.38 117.54 3df1 h ARG 61 Ca 0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3df1 h ARG 61 Cb 0.44 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3df1 h ARG 61 CO 0.00 1.16 -0.06 2.89 -1.51 0.00 0.00 179.97 182.45 3df1 n ARG 62 N -4.28 0.15 0.21 0.20 1.85 0.74 -3.15 116.66 112.39 3df1 n ARG 62 Ca -0.12 -0.02 0.10 0.00 -1.00 0.00 0.00 57.85 56.80 3df1 n ARG 62 Cb 0.71 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.90 3df1 n ARG 62 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3df1 h ILE 63 N 0.05 0.35 -0.31 8.89 2.04 -1.44 -3.04 117.51 124.05 3df1 h ILE 63 Ca 0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3df1 h ILE 63 Cb 0.44 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3df1 h ILE 63 CO 0.00 0.18 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 3df1 n TYR 64 N -3.20 0.41 0.00 1.37 4.02 -1.19 -4.97 117.16 113.61 3df1 n TYR 64 Ca 0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3df1 n TYR 64 Cb 0.52 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3df1 n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3df1 n GLY 65 N 0.68 0.84 3.56 2.72 0.00 -1.15 -4.95 105.19 106.90 3df1 n GLY 65 Ca 0.12 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.58 3df1 n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df1 n VAL 66 N 0.00 0.01 -0.57 1.61 0.24 -1.24 -4.83 118.33 113.56 3df1 n VAL 66 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3df1 n VAL 66 Cb 0.00 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3df1 n VAL 66 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3df1 n LEU 67 N 2.27 0.00 0.19 1.34 4.77 -1.26 -4.44 117.00 119.87 3df1 n LEU 67 Ca 0.20 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3df1 n LEU 67 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3df1 n LEU 67 CO 0.63 -0.38 0.47 -0.08 -1.33 0.00 0.00 177.39 176.70 3df1 h GLU 68 N 0.00 -0.46 -0.32 3.23 4.57 -1.96 -2.85 114.58 116.79 3df1 h GLU 68 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3df1 h GLU 68 Cb 0.00 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3df1 h GLU 68 CO 0.00 -0.31 -0.20 -0.09 -1.18 0.00 0.00 179.01 177.23 3df1 h ARG 69 N -0.51 -0.01 -0.23 1.92 9.65 -1.99 0.15 114.38 123.35 3df1 h ARG 69 Ca -0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3df1 h ARG 69 Cb 0.37 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 3df1 h ARG 69 CO 0.08 -0.01 -0.29 1.96 2.80 0.00 0.00 179.97 184.52 3df1 h GLN 70 N -0.01 -0.18 -0.80 0.20 4.20 -1.95 -1.39 115.11 115.17 3df1 h GLN 70 Ca 0.05 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.97 3df1 h GLN 70 Cb 0.14 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.84 3df1 h GLN 70 CO -0.31 -0.12 0.13 0.35 -0.67 0.00 0.00 178.83 178.21 3df1 h PHE 71 N -0.19 0.17 -0.09 2.96 3.57 -1.20 -1.73 116.94 120.44 3df1 h PHE 71 Ca 0.04 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3df1 h PHE 71 Cb 0.30 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 3df1 h PHE 71 CO -0.69 -0.20 -0.49 -0.09 -2.23 0.00 0.00 178.31 174.61 3df1 h ARG 72 N 0.18 -0.53 -0.99 1.11 9.65 0.39 -0.81 114.38 123.38 3df1 h ARG 72 Ca 0.47 0.04 0.22 0.00 -1.10 0.00 0.00 59.98 59.60 3df1 h ARG 72 Cb 0.87 0.12 -0.12 0.00 -1.39 0.00 0.00 29.97 29.45 3df1 h ARG 72 CO -0.63 -0.35 0.57 -0.91 2.80 0.00 0.00 179.97 181.45 3df1 h ASN 73 N -0.55 0.67 -0.81 -3.80 4.21 -0.86 0.40 115.58 114.84 3df1 h ASN 73 Ca 0.02 0.12 0.09 0.00 1.21 0.00 0.00 56.30 57.75 3df1 h ASN 73 Cb 0.63 0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 37.79 3df1 h ASN 73 CO -0.37 0.15 0.53 1.88 -1.29 0.00 0.00 177.43 178.33 3df1 h TYR 74 N 0.62 0.84 0.54 1.19 0.05 -0.77 -2.15 116.97 117.28 3df1 h TYR 74 Ca 0.61 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.38 3df1 h TYR 74 Cb 1.08 -0.27 0.01 0.00 1.01 0.00 0.00 36.73 38.55 3df1 h TYR 74 CO -0.02 0.40 -0.26 -0.92 -1.05 0.00 0.00 178.16 176.31 3df1 h TYR 75 N 0.79 -0.67 -0.63 4.88 3.20 0.36 -1.42 116.97 123.49 3df1 h TYR 75 Ca 0.37 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.35 3df1 h TYR 75 Cb 0.38 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.76 3df1 h TYR 75 CO -0.00 -0.40 -0.09 -0.22 -1.64 0.00 0.00 178.16 175.80 3df1 h LYS 76 N -0.75 0.04 0.17 1.82 3.64 -1.20 -0.85 116.57 119.44 3df1 h LYS 76 Ca -0.07 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3df1 h LYS 76 Cb 0.56 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3df1 h LYS 76 CO 0.12 0.03 -0.27 1.49 -2.27 0.00 0.00 179.45 178.55 3df1 h GLU 77 N 0.04 -0.49 -1.16 1.90 4.57 -1.24 -1.41 114.58 116.79 3df1 h GLU 77 Ca 0.31 0.03 0.34 0.00 -1.18 0.00 0.00 59.36 58.87 3df1 h GLU 77 Cb 0.50 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.09 3df1 h GLU 77 CO -0.61 -0.33 0.74 0.00 -1.18 0.00 0.00 179.01 177.64 3df1 h ALA 78 N 0.18 2.44 -0.02 2.92 0.00 -0.05 0.16 119.26 124.90 3df1 h ALA 78 Ca 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3df1 h ALA 78 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3df1 h ALA 78 CO -0.12 -0.95 -0.14 0.00 0.00 0.00 0.00 179.25 178.04 3df1 h ALA 79 N 1.62 0.04 0.00 0.00 0.00 -0.56 -3.14 119.26 117.22 3df1 h ALA 79 Ca 0.70 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3df1 h ALA 79 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3df1 h ALA 79 CO -0.36 -0.01 0.00 2.89 0.00 0.00 0.00 179.25 181.77 3df1 n ARG 80 N -4.61 0.40 -3.51 0.00 1.85 -0.04 -4.56 116.66 106.19 3df1 n ARG 80 Ca -0.09 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.37 3df1 n ARG 80 Cb 0.42 -1.37 -0.10 0.00 -1.05 0.00 0.00 32.46 30.36 3df1 n ARG 80 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3df1 s LEU 81 N -1.74 4.25 0.32 2.89 1.43 -0.69 -4.96 118.68 120.18 3df1 s LEU 81 Ca 0.14 -0.13 0.23 0.00 -1.03 0.00 0.00 54.13 53.35 3df1 s LEU 81 Cb 0.07 -2.21 1.09 0.00 0.03 0.00 0.00 46.19 45.17 3df1 s LEU 81 CO 0.11 -0.18 1.16 0.29 0.23 0.00 0.00 176.35 177.96 3df1 n LYS 82 N 5.18 -0.03 0.00 1.70 4.76 -1.26 -4.44 118.16 124.06 3df1 n LYS 82 Ca -0.12 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3df1 n LYS 82 Cb 0.51 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3df1 n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df1 n GLY 83 N -1.36 -2.76 3.59 0.72 0.00 -1.26 -4.89 105.19 99.23 3df1 n GLY 83 Ca 0.30 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 3df1 n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3df1 s ASN 84 N -1.67 6.15 0.33 1.61 3.04 -1.26 -4.88 114.94 118.26 3df1 s ASN 84 Ca 0.00 0.64 0.11 0.00 0.04 0.00 0.00 52.86 53.65 3df1 s ASN 84 Cb 0.00 -2.54 1.01 0.00 -1.54 0.00 0.00 41.25 38.18 3df1 s ASN 84 CO 0.00 -1.62 1.63 0.74 -3.04 0.00 0.00 177.10 174.81 3df1 h THR 85 N 6.49 0.20 0.12 -5.21 2.02 -1.81 0.21 112.91 114.94 3df1 h THR 85 Ca -0.28 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3df1 h THR 85 Cb 1.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3df1 h THR 85 CO 1.12 0.03 -0.06 1.23 0.37 0.00 0.00 175.52 178.21 3df1 h GLY 86 N 0.18 -0.26 0.11 2.16 0.00 -1.90 -2.87 103.07 100.49 3df1 h GLY 86 Ca 0.70 0.10 0.14 0.00 0.00 0.00 0.00 47.33 48.28 3df1 h GLY 86 CO -0.70 -0.10 0.27 -2.09 0.00 0.00 0.00 176.54 173.93 3df1 h GLU 87 N -0.17 0.39 -0.94 4.80 4.22 -1.77 -0.76 114.58 120.34 3df1 h GLU 87 Ca -0.02 -0.02 0.27 0.00 0.08 0.00 0.00 59.36 59.67 3df1 h GLU 87 Cb 0.13 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.15 3df1 h GLU 87 CO 0.03 0.26 0.39 -0.91 -2.18 0.00 0.00 179.01 176.59 3df1 h ASN 88 N 0.40 0.26 0.68 1.04 2.35 -0.59 0.37 115.58 120.07 3df1 h ASN 88 Ca 0.41 0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 56.32 3df1 h ASN 88 Cb 0.63 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 3df1 h ASN 88 CO -0.42 -0.13 -0.48 0.25 -1.65 0.00 0.00 177.43 175.01 3df1 h LEU 89 N 0.28 -1.24 -0.80 1.61 5.85 -0.90 0.15 115.31 120.27 3df1 h LEU 89 Ca 0.63 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.53 3df1 h LEU 89 Cb 1.34 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 42.67 3df1 h LEU 89 CO -0.62 -0.70 0.44 -0.07 -0.34 0.00 0.00 178.44 177.15 3df1 h LEU 90 N -1.10 0.62 0.55 2.25 -0.00 -1.27 0.17 115.31 116.53 3df1 h LEU 90 Ca -0.09 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 3df1 h LEU 90 Cb 0.90 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 3df1 h LEU 90 CO 0.05 0.34 -0.30 0.00 -0.00 0.00 0.00 178.44 178.54 3df1 h ALA 91 N 1.46 -0.79 -0.49 1.53 0.00 -0.73 -1.78 119.26 118.46 3df1 h ALA 91 Ca 0.39 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3df1 h ALA 91 Cb 0.39 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3df1 h ALA 91 CO -0.26 -0.95 0.33 -0.07 0.00 0.00 0.00 179.25 178.30 3df1 h LEU 92 N -0.79 0.31 -0.92 0.00 -0.00 -0.21 -0.40 115.31 113.31 3df1 h LEU 92 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 3df1 h LEU 92 Cb 0.62 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.18 3df1 h LEU 92 CO 0.10 0.20 0.47 -0.07 -0.00 0.00 0.00 178.44 179.14 3df1 h LEU 93 N 0.36 1.11 -0.36 1.67 3.38 -0.06 -2.29 115.31 119.11 3df1 h LEU 93 Ca 0.22 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3df1 h LEU 93 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3df1 h LEU 93 CO -0.05 0.90 -0.75 -0.33 0.09 0.00 0.00 178.44 178.29 3df1 h GLU 94 N 1.24 0.00 0.00 1.13 3.07 -0.29 -3.11 114.58 116.61 3df1 h GLU 94 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3df1 h GLU 94 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3df1 h GLU 94 CO -0.05 0.75 0.08 0.78 -1.40 0.00 0.00 179.01 179.17 3df1 h GLY 95 N 2.55 0.00 -4.25 -3.84 0.00 -0.61 -3.36 103.07 93.56 3df1 h GLY 95 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 3df1 h GLY 95 CO 0.10 0.00 0.88 0.50 0.00 0.00 0.00 176.54 178.02 3df1 s ARG 96 N -4.01 4.11 0.15 4.80 0.52 -1.18 -1.23 118.95 122.12 3df1 s ARG 96 Ca -0.04 2.59 -0.16 0.00 -0.52 0.00 0.00 55.73 57.60 3df1 s ARG 96 Cb 0.11 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.58 3df1 s ARG 96 CO 0.34 -0.63 1.81 1.25 0.02 0.00 0.00 175.30 178.08 3df1 h LEU 97 N 4.59 0.46 -2.30 2.53 5.85 -1.07 -1.15 115.31 124.22 3df1 h LEU 97 Ca -0.48 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.26 3df1 h LEU 97 Cb 1.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3df1 h LEU 97 CO 0.77 0.34 0.17 -2.24 -0.34 0.00 0.00 178.44 177.14 3df1 h ASP 98 N 0.53 0.00 0.08 1.25 -0.00 -1.84 -0.08 116.42 116.37 3df1 h ASP 98 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3df1 h ASP 98 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.28 3df1 h ASP 98 CO -0.03 0.00 -0.04 -1.13 -0.00 0.00 0.00 179.24 178.04 3df1 h ASN 99 N 0.00 -0.09 -0.47 4.15 -1.24 -1.52 -3.13 115.58 113.28 3df1 h ASN 99 Ca 0.06 -0.06 0.09 0.00 0.71 0.00 0.00 56.30 57.10 3df1 h ASN 99 Cb 0.41 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.41 3df1 h ASN 99 CO -0.00 0.42 0.03 -0.37 -1.29 0.00 0.00 177.43 176.22 3df1 h VAL 100 N -1.02 0.67 -0.91 2.57 -1.51 -0.98 0.15 116.25 115.21 3df1 h VAL 100 Ca -0.01 -0.05 0.18 0.00 -1.23 0.00 0.00 66.70 65.59 3df1 h VAL 100 Cb 0.14 0.51 -0.11 0.00 -2.13 0.00 0.00 31.29 29.71 3df1 h VAL 100 CO 0.02 0.03 0.48 0.58 -1.23 0.00 0.00 177.57 177.45 3df1 h VAL 101 N 0.15 0.65 0.37 7.19 2.07 -1.17 -1.07 116.25 124.45 3df1 h VAL 101 Ca 0.23 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3df1 h VAL 101 Cb 0.34 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3df1 h VAL 101 CO -0.36 0.11 -0.18 0.22 0.02 0.00 0.00 177.57 177.38 3df1 h TYR 102 N 0.61 -0.46 0.00 1.57 3.20 -0.96 -3.05 116.97 117.87 3df1 h TYR 102 Ca 0.53 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.39 3df1 h TYR 102 Cb 0.85 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.28 3df1 h TYR 102 CO -0.07 -0.18 0.00 0.54 -1.64 0.00 0.00 178.16 176.81 3df1 n ARG 103 N -5.22 0.22 -1.41 1.82 1.74 -0.52 -2.66 116.66 110.63 3df1 n ARG 103 Ca -0.10 0.13 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3df1 n ARG 103 Cb 0.26 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.30 3df1 n ARG 103 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3df1 n MET 104 N -1.20 2.73 0.00 5.56 2.81 -0.49 -4.84 117.12 121.69 3df1 n MET 104 Ca 0.06 -3.44 0.00 0.00 -1.81 0.00 0.00 57.70 52.51 3df1 n MET 104 Cb 0.08 -2.21 0.00 0.00 -0.71 0.00 0.00 33.22 30.37 3df1 n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3df1 n GLY 105 N -0.93 1.51 3.49 3.03 0.00 -1.09 -4.93 105.19 106.27 3df1 n GLY 105 Ca 0.55 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 3df1 n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df1 n PHE 106 N 0.00 -0.01 -1.90 1.61 3.72 -1.22 -1.93 117.46 117.72 3df1 n PHE 106 Ca 0.00 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 3df1 n PHE 106 Cb 0.00 -2.06 0.00 0.00 -0.94 0.00 0.00 39.48 36.48 3df1 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3df1 n GLY 107 N 1.64 -5.16 0.44 1.37 0.00 -1.26 -3.97 105.19 98.25 3df1 n GLY 107 Ca 0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3df1 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 h ALA 108 N 3.51 -0.95 -0.90 4.61 0.00 -1.86 -3.45 119.26 120.22 3df1 h ALA 108 Ca 0.00 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 3df1 h ALA 108 Cb 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3df1 h ALA 108 CO 0.00 -1.07 -0.32 0.95 0.00 0.00 0.00 179.25 178.81 3df1 s THR 109 N -5.95 2.00 0.12 0.00 -4.23 -1.26 -4.71 115.64 101.61 3df1 s THR 109 Ca -0.17 -1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 58.78 3df1 s THR 109 Cb 0.05 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 3df1 s THR 109 CO 0.62 0.00 1.45 0.03 -0.54 0.00 0.00 174.62 176.18 3df1 h ARG 110 N 0.82 0.81 -0.05 3.99 3.08 -1.86 -2.26 114.38 118.91 3df1 h ARG 110 Ca -0.38 -0.42 -0.05 0.00 0.07 0.00 0.00 59.98 59.21 3df1 h ARG 110 Cb 1.29 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3df1 h ARG 110 CO 0.57 1.05 -0.18 0.00 -1.07 0.00 0.00 179.97 180.34 3df1 h ALA 111 N 0.74 1.60 0.00 0.04 0.00 -1.93 -0.86 119.26 118.85 3df1 h ALA 111 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3df1 h ALA 111 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3df1 h ALA 111 CO 0.08 0.30 -0.18 1.49 0.00 0.00 0.00 179.25 180.93 3df1 h GLU 112 N 0.08 0.00 -0.02 0.00 4.81 -1.91 -3.03 114.58 114.51 3df1 h GLU 112 Ca 0.02 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 3df1 h GLU 112 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3df1 h GLU 112 CO 0.03 0.18 -0.82 0.00 -0.73 0.00 0.00 179.01 177.67 3df1 h ALA 113 N 1.82 0.56 0.44 2.92 0.00 -0.57 -3.30 119.26 121.12 3df1 h ALA 113 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3df1 h ALA 113 Cb 0.99 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3df1 h ALA 113 CO 0.02 0.84 -0.46 -0.09 0.00 0.00 0.00 179.25 179.57 3df1 h ARG 114 N 0.17 -0.88 -1.06 0.00 1.12 -1.28 -2.30 114.38 110.15 3df1 h ARG 114 Ca -0.04 0.06 0.31 0.00 -1.11 0.00 0.00 59.98 59.20 3df1 h ARG 114 Cb 1.42 0.20 -0.13 0.00 -0.01 0.00 0.00 29.97 31.46 3df1 h ARG 114 CO 0.13 -0.59 0.65 0.37 -3.11 0.00 0.00 179.97 177.42 3df1 h GLN 115 N -0.91 0.35 0.35 0.20 4.15 -1.64 0.13 115.11 117.74 3df1 h GLN 115 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3df1 h GLN 115 Cb 0.81 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 3df1 h GLN 115 CO -0.08 0.23 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.79 3df1 h LEU 116 N 0.36 -0.46 0.17 -2.39 3.38 -1.50 -0.32 115.31 114.55 3df1 h LEU 116 Ca 0.69 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 3df1 h LEU 116 Cb 1.68 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 3df1 h LEU 116 CO -0.47 -0.31 -0.12 0.58 0.09 0.00 0.00 178.44 178.20 3df1 h VAL 117 N -0.51 0.00 -0.96 1.22 2.07 -0.56 0.43 116.25 117.93 3df1 h VAL 117 Ca -0.04 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.79 3df1 h VAL 117 Cb 0.40 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.01 3df1 h VAL 117 CO 0.06 0.00 0.36 -1.28 0.02 0.00 0.00 177.57 176.73 3df1 h SER 118 N -0.28 0.13 -0.30 0.57 0.87 -1.21 0.38 113.55 113.71 3df1 h SER 118 Ca -0.02 0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 60.58 3df1 h SER 118 Cb 0.23 0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 62.37 3df1 h SER 118 CO 0.01 -0.26 0.24 1.41 -0.53 0.00 0.00 176.83 177.69 3df1 n HIS 119 N -5.24 0.95 -4.36 2.24 8.25 -0.13 -4.78 115.22 112.15 3df1 n HIS 119 Ca 0.29 -1.31 -0.34 0.00 -0.26 0.00 0.00 57.72 56.09 3df1 n HIS 119 Cb 0.93 -0.65 -0.09 0.00 1.12 0.00 0.00 29.99 31.31 3df1 n HIS 119 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3df1 n LYS 120 N 0.45 -1.05 -0.00 -0.41 4.01 0.12 -4.82 118.16 116.46 3df1 n LYS 120 Ca 0.19 0.13 0.10 0.00 -0.51 0.00 0.00 58.31 58.21 3df1 n LYS 120 Cb 0.68 -3.99 -0.14 0.00 -0.51 0.00 0.00 35.03 31.07 3df1 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3df1 n ALA 121 N -4.42 4.01 -2.55 7.82 0.00 0.13 -4.82 120.51 120.67 3df1 n ALA 121 Ca -0.19 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.45 3df1 n ALA 121 Cb 0.62 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 3df1 n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3df1 s ILE 122 N -3.17 2.97 -0.39 0.00 -1.09 -1.25 -0.66 121.20 117.61 3df1 s ILE 122 Ca 0.02 -1.82 0.06 0.00 -2.23 0.00 0.00 60.65 56.68 3df1 s ILE 122 Cb 0.15 -2.90 0.18 0.00 -1.58 0.00 0.00 42.46 38.32 3df1 s ILE 122 CO 0.87 -0.22 0.66 0.00 -1.23 0.00 0.00 174.94 175.02 3df1 s MET 123 N -3.77 0.74 0.34 2.79 0.23 -1.18 -1.87 119.30 116.57 3df1 s MET 123 Ca 0.36 -0.15 -0.28 0.00 -1.03 0.00 0.00 55.69 54.59 3df1 s MET 123 Cb -0.02 0.11 -0.10 0.00 -1.53 0.00 0.00 34.83 33.29 3df1 s MET 123 CO 0.21 -1.11 1.23 0.08 -2.03 0.00 0.00 175.02 173.41 3df1 s VAL 124 N 1.98 2.97 -1.75 5.16 1.01 -0.88 -3.42 120.40 125.47 3df1 s VAL 124 Ca 0.15 0.94 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 3df1 s VAL 124 Cb -0.04 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.92 3df1 s VAL 124 CO -0.10 0.20 0.56 0.59 0.00 0.00 0.00 175.10 176.34 3df1 n ASN 125 N 0.71 -1.77 0.00 3.32 4.13 -0.62 -3.20 115.26 117.83 3df1 n ASN 125 Ca 0.01 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.10 3df1 n ASN 125 Cb 0.43 -2.06 0.00 0.00 -1.54 0.00 0.00 39.78 36.62 3df1 n ASN 125 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3df1 n GLY 126 N -1.46 1.08 3.33 7.41 0.00 -1.22 -5.02 105.19 109.31 3df1 n GLY 126 Ca 0.01 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3df1 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df1 n ARG 127 N 0.00 0.20 -3.28 1.61 3.00 -1.19 -4.71 116.66 112.28 3df1 n ARG 127 Ca 0.00 0.09 -0.33 0.00 -0.01 0.00 0.00 57.85 57.60 3df1 n ARG 127 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 32.46 30.99 3df1 n ARG 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3df1 s VAL 128 N -1.92 4.80 0.07 1.55 0.11 -1.26 -2.08 120.40 121.68 3df1 s VAL 128 Ca 0.60 0.74 0.02 0.00 -2.93 0.00 0.00 61.98 60.42 3df1 s VAL 128 Cb -0.40 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 3df1 s VAL 128 CO 0.63 -0.07 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.56 3df1 s VAL 129 N -1.83 0.69 0.00 2.04 1.01 -0.78 -4.89 120.40 116.63 3df1 s VAL 129 Ca 0.49 -1.44 0.18 0.00 0.00 0.00 0.00 61.98 61.20 3df1 s VAL 129 Cb -0.11 -1.08 0.29 0.00 0.00 0.00 0.00 36.38 35.47 3df1 s VAL 129 CO 0.19 -0.55 1.10 -0.46 0.00 0.00 0.00 175.10 175.39 3df1 n ASN 130 N 0.85 0.51 -4.09 3.32 6.94 -1.24 -4.21 115.26 117.33 3df1 n ASN 130 Ca -0.18 -1.97 -0.34 0.00 -0.02 0.00 0.00 54.58 52.07 3df1 n ASN 130 Cb 0.57 -0.18 -0.14 0.00 -2.36 0.00 0.00 39.78 37.68 3df1 n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3df1 s ILE 131 N 0.00 2.72 0.62 1.53 1.01 -1.26 -3.67 121.20 122.15 3df1 s ILE 131 Ca 0.23 -1.93 0.31 0.00 0.00 0.00 0.00 60.65 59.26 3df1 s ILE 131 Cb 0.26 -2.80 0.36 0.00 0.01 0.00 0.00 42.46 40.30 3df1 s ILE 131 CO -0.12 -0.43 2.08 0.00 0.00 0.00 0.00 174.94 176.48 3df1 h ALA 132 N 7.85 1.62 -0.00 9.38 0.00 -1.94 0.20 119.26 136.37 3df1 h ALA 132 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3df1 h ALA 132 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3df1 h ALA 132 CO 0.57 -0.30 -0.23 -1.13 0.00 0.00 0.00 179.25 178.15 3df1 n SER 133 N -3.50 0.46 -4.65 0.00 3.41 -1.26 -3.01 113.62 105.07 3df1 n SER 133 Ca 0.01 -0.29 -0.47 0.00 -0.26 0.00 0.00 58.87 57.87 3df1 n SER 133 Cb 0.33 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 3df1 n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df1 n TYR 134 N -1.21 2.04 -3.37 7.33 9.36 0.68 -4.73 117.16 127.27 3df1 n TYR 134 Ca 0.10 0.42 -0.40 0.00 3.32 0.00 0.00 57.90 61.34 3df1 n TYR 134 Cb 0.32 -2.46 -0.09 0.00 -0.63 0.00 0.00 39.34 36.48 3df1 n TYR 134 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3df1 s GLN 135 N 0.23 3.87 -0.27 2.98 2.00 -1.26 -1.22 119.66 125.99 3df1 s GLN 135 Ca 0.75 -0.08 -0.11 0.00 -2.00 0.00 0.00 55.36 53.92 3df1 s GLN 135 Cb -0.72 -3.71 -0.05 0.00 0.80 0.00 0.00 33.01 29.33 3df1 s GLN 135 CO 0.45 -0.38 0.21 0.14 -0.50 0.00 0.00 175.29 175.20 3df1 s VAL 136 N 2.11 5.30 0.83 1.34 -7.23 -0.36 -5.00 120.40 117.39 3df1 s VAL 136 Ca 0.15 0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.43 3df1 s VAL 136 Cb -0.16 -3.54 0.12 0.00 0.56 0.00 0.00 36.38 33.36 3df1 s VAL 136 CO 0.11 0.26 1.17 -0.94 -0.31 0.00 0.00 175.10 175.38 3df1 s SER 137 N 1.62 4.06 1.18 4.85 1.04 -1.26 -4.82 113.70 120.36 3df1 s SER 137 Ca 0.08 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.74 3df1 s SER 137 Cb -0.16 -0.73 0.28 0.00 0.10 0.00 0.00 66.02 65.52 3df1 s SER 137 CO 0.10 -2.13 1.03 -2.16 0.98 0.00 0.00 173.24 171.06 3df1 s PRO 138 N -5.56 -1.04 0.00 4.02 0.04 -1.26 -3.54 135.00 127.66 3df1 s PRO 138 Ca 0.66 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3df1 s PRO 138 Cb -0.08 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3df1 s PRO 138 CO 0.49 -3.73 0.00 0.09 0.04 0.00 0.00 177.00 173.89 3df1 n ASN 139 N -4.88 0.00 -4.43 6.66 3.02 0.38 -4.92 115.26 111.10 3df1 n ASN 139 Ca 0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.25 3df1 n ASN 139 Cb 0.56 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.81 3df1 n ASN 139 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3df1 n ASP 140 N 0.92 -1.68 -4.17 6.41 8.00 -1.23 -4.26 116.55 120.54 3df1 n ASP 140 Ca 0.00 0.51 -0.33 0.00 0.71 0.00 0.00 54.79 55.68 3df1 n ASP 140 Cb 0.00 -1.19 -0.16 0.00 -0.02 0.00 0.00 41.12 39.75 3df1 n ASP 140 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3df1 s VAL 141 N -2.04 2.06 -1.03 2.53 -7.23 -1.25 -0.56 120.40 112.88 3df1 s VAL 141 Ca 0.62 -0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 3df1 s VAL 141 Cb -0.31 -1.82 0.20 0.00 0.56 0.00 0.00 36.38 35.01 3df1 s VAL 141 CO 0.62 0.55 1.12 -0.69 -0.31 0.00 0.00 175.10 176.39 3df1 s VAL 142 N 0.85 5.33 0.55 1.32 1.01 0.29 -1.59 120.40 128.16 3df1 s VAL 142 Ca -0.06 -2.53 -0.03 0.00 0.00 0.00 0.00 61.98 59.36 3df1 s VAL 142 Cb -0.15 -4.70 0.12 0.00 0.00 0.00 0.00 36.38 31.64 3df1 s VAL 142 CO -0.03 -1.35 0.75 -1.54 0.00 0.00 0.00 175.10 172.94 3df1 n SER 143 N 4.76 0.69 -4.17 3.32 3.41 -1.24 -2.34 113.62 118.05 3df1 n SER 143 Ca 0.25 -1.66 -0.21 0.00 -0.26 0.00 0.00 58.87 56.99 3df1 n SER 143 Cb 0.44 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.75 3df1 n SER 143 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3df1 s ILE 144 N -2.32 1.23 0.19 -1.33 1.01 -1.11 -3.09 121.20 115.79 3df1 s ILE 144 Ca 0.47 -1.13 -0.33 0.00 0.00 0.00 0.00 60.65 59.66 3df1 s ILE 144 Cb -0.02 -1.12 -0.13 0.00 0.01 0.00 0.00 42.46 41.19 3df1 s ILE 144 CO 0.32 -0.02 1.55 0.54 0.00 0.00 0.00 174.94 177.33 3df1 n ARG 145 N 1.70 2.20 0.28 2.79 5.12 0.16 -4.69 116.66 124.23 3df1 n ARG 145 Ca -0.19 0.79 0.13 0.00 -1.93 0.00 0.00 57.85 56.65 3df1 n ARG 145 Cb 0.54 -2.54 0.69 0.00 -1.16 0.00 0.00 32.46 30.00 3df1 n ARG 145 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3df1 h GLU 146 N 5.54 0.00 -0.51 5.56 3.07 -1.98 1.00 114.58 127.26 3df1 h GLU 146 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3df1 h GLU 146 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3df1 h GLU 146 CO 0.86 0.00 0.00 0.36 -1.40 0.00 0.00 179.01 178.83 3df1 n LYS 147 N -2.64 2.57 -0.02 2.33 -0.00 -1.26 -4.34 118.16 114.79 3df1 n LYS 147 Ca -0.02 -2.39 -0.03 0.00 -0.00 0.00 0.00 58.31 55.87 3df1 n LYS 147 Cb 0.34 -1.51 -0.02 0.00 -0.00 0.00 0.00 35.03 33.84 3df1 n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df1 n ALA 148 N 1.47 1.96 0.08 0.58 0.00 0.33 -4.60 120.51 120.33 3df1 n ALA 148 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3df1 n ALA 148 Cb 0.59 0.40 0.21 0.00 0.00 0.00 0.00 19.45 20.65 3df1 n ALA 148 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df1 n LYS 149 N -2.67 0.05 -3.40 0.00 2.85 -0.07 -2.91 118.16 112.01 3df1 n LYS 149 Ca -0.08 0.47 -0.34 0.00 -1.05 0.00 0.00 58.31 57.32 3df1 n LYS 149 Cb 0.58 -1.83 -0.05 0.00 -0.65 0.00 0.00 35.03 33.07 3df1 n LYS 149 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3df1 n LYS 150 N -1.73 3.03 -2.87 -1.58 3.00 -1.26 -4.86 118.16 111.89 3df1 n LYS 150 Ca -0.01 -4.59 -0.08 0.00 -0.00 0.00 0.00 58.31 53.64 3df1 n LYS 150 Cb 0.18 -2.37 -0.02 0.00 0.00 0.00 0.00 35.03 32.82 3df1 n LYS 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3df1 n GLN 151 N 1.41 0.32 -0.06 1.64 6.02 -1.15 -5.05 117.38 120.52 3df1 n GLN 151 Ca 0.26 -1.48 -0.05 0.00 -0.01 0.00 0.00 57.00 55.72 3df1 n GLN 151 Cb 0.37 1.37 -0.04 0.00 1.02 0.00 0.00 30.24 32.97 3df1 n GLN 151 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3df1 h SER 152 N 1.01 0.00 -0.36 1.08 0.87 -1.95 -3.37 113.55 110.82 3df1 h SER 152 Ca -0.13 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.22 3df1 h SER 152 Cb 0.60 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 3df1 h SER 152 CO 0.18 0.70 -0.00 0.08 -0.53 0.00 0.00 176.83 177.26 3df1 h ARG 153 N -1.00 0.09 -0.88 2.24 0.11 -1.98 -2.20 114.38 110.77 3df1 h ARG 153 Ca -0.02 -0.01 0.20 0.00 0.10 0.00 0.00 59.98 60.26 3df1 h ARG 153 Cb 0.37 -0.02 -0.16 0.00 1.11 0.00 0.00 29.97 31.27 3df1 h ARG 153 CO -0.01 0.06 -0.07 -0.39 0.10 0.00 0.00 179.97 179.66 3df1 h VAL 154 N 0.10 0.16 0.09 0.08 -1.51 -1.87 -0.54 116.25 112.75 3df1 h VAL 154 Ca 0.18 -0.01 -0.12 0.00 -1.23 0.00 0.00 66.70 65.52 3df1 h VAL 154 Cb 0.25 0.12 0.01 0.00 -2.13 0.00 0.00 31.29 29.54 3df1 h VAL 154 CO -0.30 0.01 -0.51 0.07 -1.23 0.00 0.00 177.57 175.61 3df1 h LYS 155 N 0.04 0.18 -1.08 5.19 2.10 -1.68 -3.09 116.57 118.23 3df1 h LYS 155 Ca 0.48 -0.31 0.30 0.00 -2.00 0.00 0.00 60.65 59.11 3df1 h LYS 155 Cb 0.85 0.12 -0.11 0.00 -0.90 0.00 0.00 32.23 32.19 3df1 h LYS 155 CO -0.84 1.15 0.68 0.00 -2.00 0.00 0.00 179.45 178.45 3df1 h ALA 156 N 0.05 2.24 0.44 0.07 0.00 -0.75 0.26 119.26 121.56 3df1 h ALA 156 Ca -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3df1 h ALA 156 Cb 1.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3df1 h ALA 156 CO 0.09 -0.71 -0.21 0.00 0.00 0.00 0.00 179.25 178.42 3df1 h ALA 157 N 1.65 -0.59 0.00 0.00 0.00 -1.21 -3.09 119.26 116.02 3df1 h ALA 157 Ca 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3df1 h ALA 157 Cb 1.67 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3df1 h ALA 157 CO -0.37 -0.55 0.26 1.28 0.00 0.00 0.00 179.25 179.88 3df1 n LEU 158 N -5.13 0.26 0.00 0.00 4.77 -0.58 -2.60 117.00 113.71 3df1 n LEU 158 Ca -0.07 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3df1 n LEU 158 Cb 0.23 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3df1 n LEU 158 CO 0.18 -0.58 0.33 1.21 -1.33 0.00 0.00 177.39 177.19 3df1 n GLU 159 N -1.86 0.00 0.00 3.23 2.13 -0.02 -2.97 120.64 121.15 3df1 n GLU 159 Ca -0.01 0.37 0.01 0.00 0.66 0.00 0.00 57.16 58.19 3df1 n GLU 159 Cb 0.28 -1.25 0.05 0.00 0.27 0.00 0.00 31.44 30.79 3df1 n GLU 159 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 3df1 n LEU 160 N -1.61 0.00 -0.29 4.31 -0.00 -1.07 -2.30 117.00 116.03 3df1 n LEU 160 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 3df1 n LEU 160 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 3df1 n LEU 160 CO 0.00 0.00 1.19 0.00 -0.00 0.00 0.00 177.39 178.58 3df1 h ALA 161 N 1.99 1.01 0.00 1.47 0.00 -1.52 -1.11 119.26 121.10 3df1 h ALA 161 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3df1 h ALA 161 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3df1 h ALA 161 CO 0.00 0.36 -1.03 1.49 0.00 0.00 0.00 179.25 180.07 3df1 h GLU 162 N 1.02 0.00 -0.49 0.00 4.22 -1.63 -3.17 114.58 114.53 3df1 h GLU 162 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 3df1 h GLU 162 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3df1 h GLU 162 CO -0.09 0.46 0.00 1.04 -2.18 0.00 0.00 179.01 178.24 3df1 n GLN 163 N -3.08 0.89 -3.83 1.92 6.02 -0.64 -4.68 117.38 113.99 3df1 n GLN 163 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.84 3df1 n GLN 163 Cb 0.82 -1.24 -0.08 0.00 1.02 0.00 0.00 30.24 30.75 3df1 n GLN 163 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3df1 s ARG 164 N -1.45 0.69 0.37 -1.09 6.06 -0.52 -4.98 118.95 118.03 3df1 s ARG 164 Ca 0.00 -0.55 -0.24 0.00 -2.50 0.00 0.00 55.73 52.44 3df1 s ARG 164 Cb 0.00 0.29 -0.13 0.00 0.06 0.00 0.00 34.95 35.17 3df1 s ARG 164 CO 0.00 -0.20 0.63 -1.91 -2.50 0.00 0.00 175.30 171.32 3df1 n GLU 165 N 0.79 0.65 -2.59 5.12 2.13 -1.26 -4.86 120.64 120.62 3df1 n GLU 165 Ca -0.19 0.23 -0.28 0.00 0.66 0.00 0.00 57.16 57.58 3df1 n GLU 165 Cb 0.58 -1.51 -0.00 0.00 0.27 0.00 0.00 31.44 30.79 3df1 n GLU 165 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3df1 s LYS 166 N -1.50 3.55 0.00 5.31 -0.14 -1.26 -4.95 119.74 120.75 3df1 s LYS 166 Ca 0.62 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.47 3df1 s LYS 166 Cb -0.66 -2.36 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 3df1 s LYS 166 CO 0.58 -0.23 0.00 -0.35 -0.76 0.00 0.00 175.35 174.59 3df1 n PRO 167 N -2.29 2.93 0.00 -1.68 -0.04 -1.26 -5.06 135.00 127.60 3df1 n PRO 167 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3df1 n PRO 167 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 3df1 n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3df1 n THR 168 N 0.00 0.00 -1.00 0.52 -2.24 -1.26 -4.96 114.28 105.34 3df1 n THR 168 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3df1 n THR 168 Cb 0.00 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.53 3df1 n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3df1 n TRP 169 N -0.19 1.37 -3.60 4.78 2.14 -1.26 -4.95 117.44 115.73 3df1 n TRP 169 Ca 0.00 -0.90 -0.16 0.00 2.07 0.00 0.00 57.50 58.50 3df1 n TRP 169 Cb 0.00 -0.41 -0.07 0.00 -0.81 0.00 0.00 31.31 30.02 3df1 n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 3df1 s LEU 170 N -2.86 -0.15 -0.35 5.67 0.05 -1.26 -1.06 118.68 118.73 3df1 s LEU 170 Ca 0.47 0.50 -0.00 0.00 0.05 0.00 0.00 54.13 55.15 3df1 s LEU 170 Cb 0.37 2.11 0.09 0.00 -2.05 0.00 0.00 46.19 46.71 3df1 s LEU 170 CO 0.11 -0.56 0.09 -1.61 -0.55 0.00 0.00 176.35 173.83 3df1 s GLU 171 N -1.24 1.99 -0.19 1.48 2.02 0.41 -4.88 118.70 118.29 3df1 s GLU 171 Ca -0.12 -1.66 -0.14 0.00 0.02 0.00 0.00 54.97 53.08 3df1 s GLU 171 Cb -0.02 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3df1 s GLU 171 CO 0.08 -0.88 0.30 0.54 0.02 0.00 0.00 175.26 175.32 3df1 s VAL 172 N 1.10 5.28 -0.30 2.63 0.11 -1.26 -0.23 120.40 127.74 3df1 s VAL 172 Ca 0.04 0.53 0.02 0.00 -2.93 0.00 0.00 61.98 59.64 3df1 s VAL 172 Cb -0.21 -3.64 0.07 0.00 -1.53 0.00 0.00 36.38 31.07 3df1 s VAL 172 CO -0.04 0.34 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.41 3df1 s ASP 173 N 0.77 4.67 0.44 3.54 -1.08 -0.50 -4.97 116.67 119.54 3df1 s ASP 173 Ca 0.16 -1.59 0.24 0.00 -0.52 0.00 0.00 52.55 50.83 3df1 s ASP 173 Cb -0.14 -1.62 0.96 0.00 -1.46 0.00 0.00 42.92 40.67 3df1 s ASP 173 CO 0.05 -0.27 1.85 0.00 0.52 0.00 0.00 175.17 177.32 3df1 h ALA 174 N 7.80 1.05 0.00 3.66 0.00 -1.95 -0.54 119.26 129.28 3df1 h ALA 174 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3df1 h ALA 174 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3df1 h ALA 174 CO 0.50 0.28 0.00 0.78 0.00 0.00 0.00 179.25 180.82 3df1 h GLY 175 N 1.92 0.00 0.00 0.00 0.00 -1.95 -3.01 103.07 100.03 3df1 h GLY 175 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3df1 h GLY 175 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 3df1 n LYS 176 N -2.91 0.17 -3.13 4.80 5.02 -1.12 -5.01 118.16 115.97 3df1 n LYS 176 Ca -0.01 -0.47 -0.23 0.00 -2.02 0.00 0.00 58.31 55.59 3df1 n LYS 176 Cb 0.18 -0.72 0.03 0.00 -0.02 0.00 0.00 35.03 34.51 3df1 n LYS 176 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3df1 n MET 177 N -0.08 -5.02 -4.03 1.97 2.81 -0.29 -4.85 117.12 107.63 3df1 n MET 177 Ca 0.00 0.85 -0.23 0.00 -1.81 0.00 0.00 57.70 56.51 3df1 n MET 177 Cb 0.23 -5.71 -0.06 0.00 -0.71 0.00 0.00 33.22 26.97 3df1 n MET 177 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3df1 s GLU 178 N -5.82 2.46 -0.29 0.03 2.02 -0.69 -2.73 118.70 113.68 3df1 s GLU 178 Ca 0.35 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.86 3df1 s GLU 178 Cb -0.16 -2.25 0.14 0.00 0.10 0.00 0.00 34.13 31.97 3df1 s GLU 178 CO 0.43 0.11 0.34 0.20 0.02 0.00 0.00 175.26 176.36 3df1 s GLY 179 N -3.88 -0.31 0.24 -1.39 0.00 -0.99 -1.41 107.32 99.58 3df1 s GLY 179 Ca 0.38 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.73 3df1 s GLY 179 CO 0.24 2.80 1.04 -1.59 0.00 0.00 0.00 173.10 175.59 3df1 s THR 180 N 2.44 3.79 -0.95 0.90 2.01 0.69 0.10 115.64 124.62 3df1 s THR 180 Ca 0.09 1.74 -0.02 0.00 0.31 0.00 0.00 61.69 63.81 3df1 s THR 180 Cb -0.13 -4.11 0.26 0.00 0.01 0.00 0.00 72.50 68.53 3df1 s THR 180 CO -0.31 0.39 1.01 0.33 -0.69 0.00 0.00 174.62 175.34 3df1 n PHE 181 N 1.57 3.87 0.00 4.92 7.35 0.27 -0.44 117.46 134.99 3df1 n PHE 181 Ca -0.01 -3.73 0.00 0.00 -0.76 0.00 0.00 57.45 52.95 3df1 n PHE 181 Cb 0.46 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 39.11 3df1 n PHE 181 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3df1 n LYS 182 N 1.92 0.00 -3.85 -4.13 5.02 -0.22 0.15 118.16 117.04 3df1 n LYS 182 Ca 0.24 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.84 3df1 n LYS 182 Cb 0.37 -0.85 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 3df1 n LYS 182 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3df1 n ARG 183 N -1.15 0.62 -1.74 1.97 -4.01 -0.86 -3.49 116.66 108.01 3df1 n ARG 183 Ca 0.00 -2.67 -0.40 0.00 -1.04 0.00 0.00 57.85 53.74 3df1 n ARG 183 Cb 0.00 2.52 0.02 0.00 -3.04 0.00 0.00 32.46 31.96 3df1 n ARG 183 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3df1 n LYS 184 N -0.55 2.08 -2.24 2.89 4.76 -1.26 -4.73 118.16 119.11 3df1 n LYS 184 Ca 0.01 0.74 -0.40 0.00 -2.87 0.00 0.00 58.31 55.80 3df1 n LYS 184 Cb 0.55 -2.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.16 3df1 n LYS 184 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3df1 s PRO 185 N -2.43 2.87 0.74 1.97 0.04 -1.26 -4.90 135.00 132.03 3df1 s PRO 185 Ca 0.62 0.29 -0.16 0.00 0.04 0.00 0.00 61.00 61.80 3df1 s PRO 185 Cb -0.46 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.78 3df1 s PRO 185 CO 0.57 -2.48 0.85 -1.91 0.04 0.00 0.00 177.00 174.07 3df1 n GLU 186 N 9.23 0.39 -0.05 4.56 0.00 -1.26 -4.77 120.64 128.74 3df1 n GLU 186 Ca 0.14 0.19 -0.09 0.00 0.00 0.00 0.00 57.16 57.39 3df1 n GLU 186 Cb 0.51 -2.12 -0.06 0.00 0.00 0.00 0.00 31.44 29.76 3df1 n GLU 186 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3df1 h ARG 187 N -0.40 -0.30 0.00 5.31 9.65 -1.96 -2.93 114.38 123.75 3df1 h ARG 187 Ca -0.47 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3df1 h ARG 187 Cb 1.33 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 3df1 h ARG 187 CO 0.45 -0.20 0.00 -1.13 2.80 0.00 0.00 179.97 181.89 3df1 n SER 188 N -4.39 0.00 -0.64 -3.80 3.41 -1.26 0.21 113.62 107.14 3df1 n SER 188 Ca -0.03 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 3df1 n SER 188 Cb 0.23 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3df1 n SER 188 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3df1 n ASP 189 N -2.73 0.44 0.00 4.04 5.68 -1.20 -1.88 116.55 120.90 3df1 n ASP 189 Ca 0.00 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 3df1 n ASP 189 Cb 0.00 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3df1 n ASP 189 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3df1 n LEU 190 N 0.50 0.00 0.00 -2.12 0.00 0.07 -4.85 117.00 110.61 3df1 n LEU 190 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 3df1 n LEU 190 Cb 0.09 0.00 0.15 0.00 0.00 0.00 0.00 43.42 43.66 3df1 n LEU 190 CO 0.00 0.00 0.17 -1.54 0.00 0.00 0.00 177.39 176.02 3df1 n SER 191 N -0.76 -2.92 0.00 1.96 3.41 0.56 -5.04 113.62 110.83 3df1 n SER 191 Ca 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 3df1 n SER 191 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3df1 n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df1 n ALA 192 N -4.15 0.00 0.53 7.33 0.00 -1.26 -4.93 120.51 118.03 3df1 n ALA 192 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3df1 n ALA 192 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3df1 n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df1 n ASP 193 N 0.00 2.83 -4.50 0.00 8.00 -1.26 -4.74 116.55 116.88 3df1 n ASP 193 Ca 0.00 -1.72 -0.40 0.00 0.71 0.00 0.00 54.79 53.38 3df1 n ASP 193 Cb 0.00 -0.51 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 3df1 n ASP 193 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3df1 s ILE 194 N 0.24 5.09 -0.90 0.53 2.07 -1.26 -5.03 121.20 121.93 3df1 s ILE 194 Ca 0.00 -0.29 -0.16 0.00 -1.41 0.00 0.00 60.65 58.79 3df1 s ILE 194 Cb 0.00 -3.62 0.19 0.00 0.13 0.00 0.00 42.46 39.16 3df1 s ILE 194 CO 0.00 0.00 0.96 0.20 -1.91 0.00 0.00 174.94 174.19 3df1 s ASN 195 N 1.69 6.76 0.01 4.50 0.02 -1.26 -4.89 114.94 121.77 3df1 s ASN 195 Ca 0.06 -2.51 -0.24 0.00 -1.02 0.00 0.00 52.86 49.14 3df1 s ASN 195 Cb -0.17 -2.29 -0.18 0.00 0.02 0.00 0.00 41.25 38.63 3df1 s ASN 195 CO 0.09 -0.76 1.39 1.05 0.02 0.00 0.00 177.10 178.89 3df1 h GLU 196 N 8.09 0.07 -1.29 -0.60 4.11 -1.95 -3.19 114.58 119.82 3df1 h GLU 196 Ca 0.14 -0.03 0.37 0.00 0.07 0.00 0.00 59.36 59.92 3df1 h GLU 196 Cb 1.02 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 3df1 h GLU 196 CO 0.93 0.43 1.11 1.12 0.07 0.00 0.00 179.01 182.67 3df1 h HIS 197 N -0.29 0.00 -0.74 2.06 2.07 -1.94 0.28 115.15 116.58 3df1 h HIS 197 Ca 0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 3df1 h HIS 197 Cb 0.41 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.35 3df1 h HIS 197 CO 0.06 0.00 0.42 -0.07 -3.07 0.00 0.00 177.93 175.27 3df1 h LEU 198 N 0.00 0.92 -0.22 6.12 3.38 -1.97 -2.96 115.31 120.58 3df1 h LEU 198 Ca 0.61 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.41 3df1 h LEU 198 Cb 2.84 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 43.35 3df1 h LEU 198 CO -0.01 0.74 -0.20 0.16 0.09 0.00 0.00 178.44 179.23 3df1 h ILE 199 N 1.02 1.32 -0.01 1.22 -0.00 -0.63 -0.51 117.51 119.93 3df1 h ILE 199 Ca 0.26 -1.35 0.00 0.00 -0.00 0.00 0.00 64.86 63.78 3df1 h ILE 199 Cb 0.01 1.71 -0.00 0.00 -0.00 0.00 0.00 36.82 38.55 3df1 h ILE 199 CO -0.04 0.41 0.21 -0.37 -0.00 0.00 0.00 178.15 178.36 3df1 h VAL 200 N 0.20 0.02 0.12 0.16 -1.51 -1.54 0.45 116.25 114.15 3df1 h VAL 200 Ca 0.04 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 65.17 3df1 h VAL 200 Cb 0.74 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 3df1 h VAL 200 CO 0.05 0.00 -1.82 -0.33 -1.23 0.00 0.00 177.57 174.24 3df1 h GLU 201 N 0.00 0.26 -0.75 5.19 5.08 -1.30 -3.36 114.58 119.68 3df1 h GLU 201 Ca 0.00 -0.44 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3df1 h GLU 201 Cb 0.43 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 3df1 h GLU 201 CO -0.00 1.21 0.47 1.25 -1.00 0.00 0.00 179.01 180.94 3df1 h LEU 202 N -0.08 0.77 -2.68 1.33 5.85 0.13 -1.57 115.31 119.06 3df1 h LEU 202 Ca -0.39 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3df1 h LEU 202 Cb 1.94 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 3df1 h LEU 202 CO 0.07 0.53 0.01 -1.22 -0.34 0.00 0.00 178.44 177.48 3df1 n TYR 203 N -4.64 0.03 -1.77 1.25 0.53 0.95 -2.63 117.16 110.88 3df1 n TYR 203 Ca 0.09 -0.85 0.00 0.00 -1.02 0.00 0.00 57.90 56.12 3df1 n TYR 203 Cb 0.10 -0.43 0.00 0.00 -1.03 0.00 0.00 39.34 37.99 3df1 n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3df1 n SER 204 N 1.15 0.00 -0.60 7.72 7.64 -0.59 -5.00 113.62 123.93 3df1 n SER 204 Ca 0.01 -1.37 0.08 0.00 1.01 0.00 0.00 58.87 58.59 3df1 n SER 204 Cb 0.50 -0.07 0.06 0.00 -1.01 0.00 0.00 64.21 63.69 3df1 n SER 204 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20