#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n ARG 2 N 0.00 1.28 0.00 0.00 5.12 -1.26 -4.85 116.66 116.96 3df3 n ARG 2 Ca 0.00 -2.66 0.00 0.00 -1.93 0.00 0.00 57.85 53.26 3df3 n ARG 2 Cb 0.00 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 3df3 n ARG 2 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3df3 n TYR 3 N -0.47 0.00 -4.51 -1.55 9.36 -1.26 -4.64 117.16 114.09 3df3 n TYR 3 Ca 0.02 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.83 3df3 n TYR 3 Cb 0.83 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.46 3df3 n TYR 3 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3df3 n LEU 4 N 0.00 -0.85 0.00 2.98 -0.00 -1.26 -4.90 117.00 112.97 3df3 n LEU 4 Ca 0.00 -1.25 0.00 0.00 -0.00 0.00 0.00 56.01 54.76 3df3 n LEU 4 Cb 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 41.82 3df3 n LEU 4 CO 0.00 0.16 0.00 0.61 -0.00 0.00 0.00 177.39 178.16 3df3 n GLY 5 N -1.30 4.90 3.56 1.47 0.00 -1.26 -5.06 105.19 107.50 3df3 n GLY 5 Ca 0.05 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3df3 n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3df3 s PRO 6 N -0.96 2.30 0.49 1.61 0.04 -1.26 -4.82 135.00 132.40 3df3 s PRO 6 Ca 0.00 0.13 0.33 0.00 0.04 0.00 0.00 61.00 61.50 3df3 s PRO 6 Cb 0.00 -4.87 1.44 0.00 0.04 0.00 0.00 34.50 31.11 3df3 s PRO 6 CO 0.00 -3.54 1.73 0.87 0.04 0.00 0.00 177.00 176.10 3df3 h LYS 7 N 12.67 0.11 -0.48 4.56 1.57 -1.97 -0.12 116.57 132.91 3df3 h LYS 7 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3df3 h LYS 7 Cb 1.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3df3 h LYS 7 CO 1.16 0.07 0.31 -0.07 -0.57 0.00 0.00 179.45 180.35 3df3 h LEU 8 N 0.12 0.56 -0.94 2.94 -0.00 -1.96 -2.84 115.31 113.19 3df3 h LEU 8 Ca 0.67 -0.03 0.28 0.00 -0.00 0.00 0.00 57.88 58.80 3df3 h LEU 8 Cb 2.34 -0.14 -0.16 0.00 -0.00 0.00 0.00 40.66 42.70 3df3 h LEU 8 CO -0.16 0.43 0.21 0.50 -0.00 0.00 0.00 178.44 179.42 3df3 h LYS 9 N 0.65 0.10 0.39 1.13 3.64 -1.37 -1.62 116.57 119.49 3df3 h LYS 9 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3df3 h LYS 9 Cb -0.05 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3df3 h LYS 9 CO -0.04 0.07 -0.24 -0.07 -2.27 0.00 0.00 179.45 176.91 3df3 h LEU 10 N 0.11 -0.59 -0.98 5.20 3.38 -1.63 -1.05 115.31 119.74 3df3 h LEU 10 Ca 0.62 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.95 3df3 h LEU 10 Cb 1.34 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 42.09 3df3 h LEU 10 CO -0.77 -0.36 0.40 0.28 0.09 0.00 0.00 178.44 178.08 3df3 h SER 11 N -0.58 0.17 0.13 -0.43 0.02 -1.38 0.21 113.55 111.69 3df3 h SER 11 Ca -0.05 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3df3 h SER 11 Cb 0.47 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3df3 h SER 11 CO 0.06 -0.29 -0.06 0.03 -1.14 0.00 0.00 176.83 175.43 3df3 h ARG 12 N 0.13 -0.17 0.30 3.45 3.08 -1.15 0.06 114.38 120.08 3df3 h ARG 12 Ca 0.72 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.77 3df3 h ARG 12 Cb 1.69 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 3df3 h ARG 12 CO -0.73 0.09 -0.28 -0.09 -1.07 0.00 0.00 179.97 177.90 3df3 h ARG 13 N -0.43 -0.55 -0.04 0.04 9.65 0.68 -3.17 114.38 120.56 3df3 h ARG 13 Ca -0.02 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3df3 h ARG 13 Cb 0.34 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.99 3df3 h ARG 13 CO 0.03 -0.37 -0.48 0.93 2.80 0.00 0.00 179.97 182.88 3df3 h GLU 14 N -0.57 -0.58 0.00 0.20 4.39 -1.13 -3.47 114.58 113.42 3df3 h GLU 14 Ca -0.04 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3df3 h GLU 14 Cb 0.49 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3df3 h GLU 14 CO -0.02 -0.39 0.00 0.41 -1.16 0.00 0.00 179.01 177.85 3df3 n GLY 15 N -1.45 1.39 3.50 -3.84 0.00 -0.05 -5.09 105.19 99.65 3df3 n GLY 15 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3df3 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df3 s THR 16 N -2.00 0.00 -0.88 2.61 2.01 -0.85 -5.00 115.64 111.53 3df3 s THR 16 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 3df3 s THR 16 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 3df3 s THR 16 CO 0.00 0.00 1.69 -0.62 -0.69 0.00 0.00 174.62 175.00 3df3 s ASP 17 N -2.26 5.73 0.00 3.53 -1.08 -1.26 -4.38 116.67 116.95 3df3 s ASP 17 Ca 0.02 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 3df3 s ASP 17 Cb -0.01 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3df3 s ASP 17 CO -0.07 -2.17 0.19 0.18 0.52 0.00 0.00 175.17 173.82 3df3 n LEU 18 N 11.55 0.08 0.00 -1.34 4.32 -1.26 -4.74 117.00 125.61 3df3 n LEU 18 Ca 0.30 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 3df3 n LEU 18 Cb 0.49 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 3df3 n LEU 18 CO 0.65 0.02 0.00 0.49 -1.22 0.00 0.00 177.39 177.33 3df3 n PHE 19 N -0.19 0.00 0.18 -1.77 3.72 -1.26 -4.74 117.46 113.40 3df3 n PHE 19 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 3df3 n PHE 19 Cb 0.02 -1.53 0.70 0.00 -0.94 0.00 0.00 39.48 37.73 3df3 n PHE 19 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3df3 h LEU 20 N 0.00 0.00 -5.00 4.37 3.38 -1.92 0.17 115.31 116.32 3df3 h LEU 20 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3df3 h LEU 20 Cb 0.22 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.56 3df3 h LEU 20 CO 0.00 0.00 -0.92 0.29 0.09 0.00 0.00 178.44 177.90 3df3 n LYS 21 N -3.28 2.36 0.00 1.13 4.01 -1.26 -4.87 118.16 116.25 3df3 n LYS 21 Ca 0.04 -4.03 0.00 0.00 -0.51 0.00 0.00 58.31 53.81 3df3 n LYS 21 Cb 0.62 -1.87 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 3df3 n LYS 21 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3df3 n SER 22 N -0.21 0.00 -4.44 4.39 7.64 0.59 -4.64 113.62 116.96 3df3 n SER 22 Ca 0.27 0.18 -0.50 0.00 1.01 0.00 0.00 58.87 59.83 3df3 n SER 22 Cb 0.66 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 3df3 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df3 n GLY 23 N -1.11 0.39 0.12 0.23 0.00 -1.26 -4.76 105.19 98.80 3df3 n GLY 23 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 46.02 46.98 3df3 n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df3 n VAL 24 N 7.22 -0.15 -1.57 1.61 0.24 -1.26 -4.08 118.33 120.34 3df3 n VAL 24 Ca 0.43 0.79 -0.38 0.00 -2.04 0.00 0.00 64.34 63.14 3df3 n VAL 24 Cb 0.22 -1.09 0.05 0.00 -1.47 0.00 0.00 33.84 31.55 3df3 n VAL 24 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3df3 n ARG 25 N -4.56 0.76 0.00 7.34 -4.01 -1.26 -3.96 116.66 110.98 3df3 n ARG 25 Ca 0.05 0.30 0.00 0.00 -1.04 0.00 0.00 57.85 57.16 3df3 n ARG 25 Cb 0.17 -2.04 0.00 0.00 -3.04 0.00 0.00 32.46 27.55 3df3 n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3df3 n ALA 26 N -1.77 0.00 -2.83 2.89 0.00 -1.26 -4.80 120.51 112.74 3df3 n ALA 26 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 3df3 n ALA 26 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3df3 n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3df3 n ILE 27 N 0.00 -9.23 -0.39 0.00 5.41 -1.25 -4.82 119.36 109.08 3df3 n ILE 27 Ca 0.00 1.61 0.05 0.00 1.00 0.00 0.00 62.75 65.40 3df3 n ILE 27 Cb 0.00 -5.68 -0.02 0.00 -0.71 0.00 0.00 39.64 33.23 3df3 n ILE 27 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3df3 n ASP 28 N 1.17 -2.24 -1.46 4.38 5.75 -1.26 -5.03 116.55 117.85 3df3 n ASP 28 Ca -0.08 0.33 0.19 0.00 -0.01 0.00 0.00 54.79 55.22 3df3 n ASP 28 Cb 0.24 -1.30 -0.06 0.00 -1.03 0.00 0.00 41.12 38.96 3df3 n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3df3 n THR 29 N -2.83 0.00 -3.25 2.12 -1.04 -1.26 -4.87 114.28 103.15 3df3 n THR 29 Ca -0.02 0.29 -0.21 0.00 -2.04 0.00 0.00 64.05 62.07 3df3 n THR 29 Cb 0.18 -0.79 0.05 0.00 -1.82 0.00 0.00 70.33 67.96 3df3 n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3df3 n LYS 30 N -4.31 -6.05 0.00 -2.82 4.01 -1.26 -4.72 118.16 103.01 3df3 n LYS 30 Ca -0.02 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.58 3df3 n LYS 30 Cb 0.68 -5.58 0.00 0.00 -0.51 0.00 0.00 35.03 29.61 3df3 n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3df3 n LYS 32 N 0.00 -0.94 -1.16 0.00 5.02 -1.26 -4.97 118.16 114.85 3df3 n LYS 32 Ca 0.00 0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 56.70 3df3 n LYS 32 Cb 0.23 -4.87 0.11 0.00 -0.02 0.00 0.00 35.03 30.47 3df3 n LYS 32 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3df3 n ILE 33 N -3.40 1.93 -4.02 -0.18 0.13 -1.26 -2.76 119.36 109.79 3df3 n ILE 33 Ca -0.14 -0.28 -0.32 0.00 -1.10 0.00 0.00 62.75 60.91 3df3 n ILE 33 Cb 0.52 -1.01 0.01 0.00 -0.84 0.00 0.00 39.64 38.32 3df3 n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3df3 n GLU 34 N -2.22 -4.63 0.00 9.51 4.07 -1.26 -4.74 120.64 121.38 3df3 n GLU 34 Ca 0.12 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 3df3 n GLU 34 Cb 0.50 -5.32 0.00 0.00 -0.06 0.00 0.00 31.44 26.57 3df3 n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3df3 n GLN 35 N -4.56 0.00 -3.14 5.31 6.02 -1.11 -5.08 117.38 114.82 3df3 n GLN 35 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.07 3df3 n GLN 35 Cb 0.52 -0.42 -0.00 0.00 1.02 0.00 0.00 30.24 31.36 3df3 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df3 s ALA 36 N -1.00 -3.01 0.56 -1.58 0.00 -1.24 -4.34 121.76 111.15 3df3 s ALA 36 Ca 0.00 1.11 0.29 0.00 0.00 0.00 0.00 51.96 53.35 3df3 s ALA 36 Cb 0.00 -2.67 1.46 0.00 0.00 0.00 0.00 23.12 21.92 3df3 s ALA 36 CO 0.00 -1.97 1.93 -1.35 0.00 0.00 0.00 175.76 174.37 3df3 h PRO 37 N 7.59 0.00 0.00 0.00 0.11 -1.86 -3.44 132.00 134.40 3df3 h PRO 37 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3df3 h PRO 37 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3df3 h PRO 37 CO 0.06 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.26 3df3 n GLY 38 N -1.60 5.37 1.26 -0.55 0.00 -1.26 -4.53 105.19 103.88 3df3 n GLY 38 Ca 0.12 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.46 3df3 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLN 39 N 0.00 2.80 -0.76 1.61 -0.00 -1.26 -4.03 117.38 115.74 3df3 n GLN 39 Ca 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 57.00 54.67 3df3 n GLN 39 Cb 0.00 -1.61 -0.00 0.00 -0.00 0.00 0.00 30.24 28.63 3df3 n GLN 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3df3 n HIS 40 N 1.19 0.00 0.01 2.61 8.25 -1.26 -4.90 115.22 121.12 3df3 n HIS 40 Ca 0.21 -0.15 0.23 0.00 -0.26 0.00 0.00 57.72 57.75 3df3 n HIS 40 Cb 0.63 0.05 0.68 0.00 1.12 0.00 0.00 29.99 32.47 3df3 n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3df3 h GLY 41 N 0.21 0.00 2.00 -1.41 0.00 -1.84 0.47 103.07 102.49 3df3 h GLY 41 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3df3 h GLY 41 CO -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.53 3df3 h ALA 42 N 1.26 1.03 -2.76 3.60 0.00 -1.91 -3.43 119.26 117.05 3df3 h ALA 42 Ca 0.27 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.65 3df3 h ALA 42 Cb 1.54 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.38 3df3 h ALA 42 CO -0.00 0.00 0.69 1.03 0.00 0.00 0.00 179.25 180.97 3df3 s ARG 43 N -4.09 4.33 -0.36 0.00 1.81 0.16 -4.93 118.95 115.88 3df3 s ARG 43 Ca -0.04 2.20 -0.29 0.00 -1.72 0.00 0.00 55.73 55.88 3df3 s ARG 43 Cb 0.12 -3.12 -0.01 0.00 -0.45 0.00 0.00 34.95 31.49 3df3 s ARG 43 CO 0.44 -0.30 1.61 0.21 -0.68 0.00 0.00 175.30 176.59 3df3 s LYS 44 N -0.71 3.47 -1.21 3.54 2.36 -1.26 -4.92 119.74 121.02 3df3 s LYS 44 Ca 0.55 1.22 -0.22 0.00 -2.55 0.00 0.00 55.97 54.98 3df3 s LYS 44 Cb -0.40 -4.11 -0.06 0.00 -1.05 0.00 0.00 37.83 32.22 3df3 s LYS 44 CO 0.44 -1.69 1.90 -1.25 1.55 0.00 0.00 175.35 176.30 3df3 s PRO 45 N 5.27 2.76 -0.95 4.03 0.04 -1.26 -4.90 135.00 139.98 3df3 s PRO 45 Ca 0.71 -1.33 -0.19 0.00 0.04 0.00 0.00 61.00 60.23 3df3 s PRO 45 Cb -0.19 -5.30 0.13 0.00 0.04 0.00 0.00 34.50 29.18 3df3 s PRO 45 CO 0.33 -3.69 1.17 1.03 0.04 0.00 0.00 177.00 175.88 3df3 s ARG 46 N 6.06 3.63 0.24 4.56 0.52 -1.26 -4.99 118.95 127.71 3df3 s ARG 46 Ca 0.66 -1.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.20 3df3 s ARG 46 Cb 0.00 -4.96 -0.04 0.00 0.52 0.00 0.00 34.95 30.47 3df3 s ARG 46 CO 0.13 -1.81 -0.03 -0.48 0.02 0.00 0.00 175.30 173.13 3df3 s LEU 47 N 2.79 3.12 0.00 2.53 0.05 -1.26 -5.09 118.68 120.83 3df3 s LEU 47 Ca 0.34 -0.64 0.00 0.00 0.05 0.00 0.00 54.13 53.88 3df3 s LEU 47 Cb -0.04 -1.68 0.00 0.00 -2.05 0.00 0.00 46.19 42.41 3df3 s LEU 47 CO -0.09 0.03 0.00 -0.24 -0.55 0.00 0.00 176.35 175.50 3df3 n SER 48 N -0.65 1.20 -0.20 1.48 2.88 -1.26 -4.72 113.62 112.35 3df3 n SER 48 Ca -0.07 -0.85 -0.03 0.00 -1.33 0.00 0.00 58.87 56.58 3df3 n SER 48 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 3df3 n SER 48 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3df3 n ASP 49 N -1.53 -0.43 0.23 -3.46 9.92 -1.26 0.62 116.55 120.64 3df3 n ASP 49 Ca 0.00 0.86 -0.15 0.00 -0.53 0.00 0.00 54.79 54.97 3df3 n ASP 49 Cb 0.00 -0.15 -0.08 0.00 -0.64 0.00 0.00 41.12 40.25 3df3 n ASP 49 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 3df3 h TYR 50 N 0.00 -0.52 -1.02 1.24 3.20 -1.97 0.46 116.97 118.36 3df3 h TYR 50 Ca 0.12 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.22 3df3 h TYR 50 Cb 0.24 0.17 -0.10 0.00 1.54 0.00 0.00 36.73 38.58 3df3 h TYR 50 CO -0.47 -0.25 0.64 0.78 -1.64 0.00 0.00 178.16 177.23 3df3 h GLY 51 N -0.70 1.37 0.10 1.82 0.00 -0.15 0.72 103.07 106.24 3df3 h GLY 51 Ca -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3df3 h GLY 51 CO 0.09 -0.13 -0.03 -2.08 0.00 0.00 0.00 176.54 174.39 3df3 h VAL 52 N 0.48 0.73 -0.65 4.60 2.07 0.07 -3.00 116.25 120.55 3df3 h VAL 52 Ca 0.59 -1.42 0.13 0.00 0.82 0.00 0.00 66.70 66.81 3df3 h VAL 52 Cb 1.35 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 32.38 3df3 h VAL 52 CO -0.33 0.23 0.15 1.56 0.02 0.00 0.00 177.57 179.21 3df3 h GLN 53 N -0.98 0.27 -0.49 1.57 4.20 0.64 0.52 115.11 120.84 3df3 h GLN 53 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3df3 h GLN 53 Cb 0.44 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3df3 h GLN 53 CO 0.01 0.18 0.31 1.25 -0.67 0.00 0.00 178.83 179.91 3df3 h LEU 54 N 0.27 0.57 -0.09 1.46 7.12 0.30 0.23 115.31 125.17 3df3 h LEU 54 Ca 0.35 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.31 3df3 h LEU 54 Cb 0.54 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 3df3 h LEU 54 CO -0.44 0.43 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.17 3df3 h ARG 55 N 0.66 0.18 -0.49 1.25 9.65 -1.12 -0.59 114.38 123.92 3df3 h ARG 55 Ca 0.18 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 59.05 3df3 h ARG 55 Cb -0.05 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 3df3 h ARG 55 CO -0.04 0.53 0.33 1.49 2.80 0.00 0.00 179.97 185.08 3df3 h GLU 56 N -0.18 0.36 0.17 0.20 4.57 0.20 -1.20 114.58 118.71 3df3 h GLU 56 Ca 0.02 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3df3 h GLU 56 Cb 0.48 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3df3 h GLU 56 CO 0.01 0.24 -0.08 -0.22 -1.18 0.00 0.00 179.01 177.78 3df3 h LYS 57 N 0.37 -0.23 -0.59 1.92 3.11 -0.32 -3.29 116.57 117.54 3df3 h LYS 57 Ca 0.22 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 58.17 3df3 h LYS 57 Cb 0.37 0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 31.57 3df3 h LYS 57 CO -0.05 0.18 0.16 1.96 -2.81 0.00 0.00 179.45 178.89 3df3 h GLN 58 N -0.88 0.30 0.00 1.90 7.50 -0.74 -2.03 115.11 121.16 3df3 h GLN 58 Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3df3 h GLN 58 Cb 0.51 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.97 3df3 h GLN 58 CO 0.04 0.20 0.00 1.17 -1.50 0.00 0.00 178.83 178.74 3df3 n LYS 59 N -5.08 0.00 0.30 1.46 4.81 -0.49 -0.04 118.16 119.12 3df3 n LYS 59 Ca 0.08 0.61 0.15 0.00 -0.87 0.00 0.00 58.31 58.29 3df3 n LYS 59 Cb 0.30 -1.24 0.79 0.00 0.02 0.00 0.00 35.03 34.90 3df3 n LYS 59 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 3df3 h VAL 60 N 0.00 0.00 0.13 3.15 3.04 -1.62 -1.49 116.25 119.46 3df3 h VAL 60 Ca 0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 3df3 h VAL 60 Cb 0.00 0.64 0.02 0.00 -2.01 0.00 0.00 31.29 29.94 3df3 h VAL 60 CO 0.00 0.00 -0.85 -0.09 -1.01 0.00 0.00 177.57 175.62 3df3 h ARG 61 N 0.00 0.27 -0.00 4.17 2.43 -0.27 -3.33 114.38 117.65 3df3 h ARG 61 Ca 0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3df3 h ARG 61 Cb 0.50 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3df3 h ARG 61 CO 0.00 1.22 -0.11 2.89 -1.51 0.00 0.00 179.97 182.46 3df3 n ARG 62 N -4.13 0.15 0.21 0.20 1.85 0.94 -3.23 116.66 112.64 3df3 n ARG 62 Ca -0.15 -0.03 0.10 0.00 -1.00 0.00 0.00 57.85 56.76 3df3 n ARG 62 Cb 0.81 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.99 3df3 n ARG 62 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3df3 h ILE 63 N 0.07 0.36 -0.32 8.89 2.04 -1.44 -3.05 117.51 124.07 3df3 h ILE 63 Ca 0.00 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.57 3df3 h ILE 63 Cb 0.45 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3df3 h ILE 63 CO 0.00 0.18 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 3df3 n TYR 64 N -3.20 0.43 0.00 1.37 4.02 -1.20 -4.97 117.16 113.61 3df3 n TYR 64 Ca 0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3df3 n TYR 64 Cb 0.53 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3df3 n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3df3 n GLY 65 N 0.69 0.85 3.54 2.72 0.00 -1.15 -4.95 105.19 106.89 3df3 n GLY 65 Ca 0.12 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.58 3df3 n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df3 n VAL 66 N 0.00 0.00 -0.69 1.61 0.24 -1.24 -4.83 118.33 113.42 3df3 n VAL 66 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3df3 n VAL 66 Cb 0.00 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 3df3 n VAL 66 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3df3 n LEU 67 N 2.00 0.00 0.21 1.34 4.77 -1.26 -4.45 117.00 119.61 3df3 n LEU 67 Ca 0.19 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3df3 n LEU 67 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3df3 n LEU 67 CO 0.62 -0.40 0.50 -0.08 -1.33 0.00 0.00 177.39 176.70 3df3 h GLU 68 N 0.00 -0.52 -0.30 3.23 4.57 -1.96 -2.80 114.58 116.80 3df3 h GLU 68 Ca 0.00 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3df3 h GLU 68 Cb 0.00 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3df3 h GLU 68 CO 0.00 -0.34 -0.19 -0.09 -1.18 0.00 0.00 179.01 177.20 3df3 h ARG 69 N -0.55 -0.01 -0.22 1.92 9.65 -1.99 0.13 114.38 123.30 3df3 h ARG 69 Ca -0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3df3 h ARG 69 Cb 0.41 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 3df3 h ARG 69 CO 0.09 -0.01 -0.28 1.96 2.80 0.00 0.00 179.97 184.53 3df3 h GLN 70 N -0.02 -0.18 -0.80 0.20 4.20 -1.95 -1.51 115.11 115.05 3df3 h GLN 70 Ca 0.05 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.96 3df3 h GLN 70 Cb 0.14 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 27.83 3df3 h GLN 70 CO -0.29 -0.12 0.06 0.35 -0.67 0.00 0.00 178.83 178.16 3df3 h PHE 71 N -0.19 0.05 -0.10 2.96 3.57 -1.17 -1.41 116.94 120.65 3df3 h PHE 71 Ca 0.04 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3df3 h PHE 71 Cb 0.29 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3df3 h PHE 71 CO -0.68 -0.24 -0.53 -0.09 -2.23 0.00 0.00 178.31 174.54 3df3 h ARG 72 N 0.13 -0.58 -0.99 1.11 9.65 0.27 -0.71 114.38 123.26 3df3 h ARG 72 Ca 0.46 0.04 0.20 0.00 -1.10 0.00 0.00 59.98 59.58 3df3 h ARG 72 Cb 0.84 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 29.44 3df3 h ARG 72 CO -0.68 -0.39 0.58 -0.91 2.80 0.00 0.00 179.97 181.37 3df3 h ASN 73 N -0.61 0.71 -0.80 -3.80 4.21 -0.79 0.32 115.58 114.83 3df3 h ASN 73 Ca 0.03 0.11 0.08 0.00 1.21 0.00 0.00 56.30 57.73 3df3 h ASN 73 Cb 0.69 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.83 3df3 h ASN 73 CO -0.41 0.21 0.52 1.88 -1.29 0.00 0.00 177.43 178.34 3df3 h TYR 74 N 0.68 0.84 0.62 1.19 0.05 -0.71 -2.26 116.97 117.38 3df3 h TYR 74 Ca 0.59 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.36 3df3 h TYR 74 Cb 0.98 -0.27 0.01 0.00 1.01 0.00 0.00 36.73 38.46 3df3 h TYR 74 CO -0.02 0.42 -0.30 -0.92 -1.05 0.00 0.00 178.16 176.29 3df3 h TYR 75 N 0.81 -0.77 -0.64 4.88 3.20 0.22 -1.49 116.97 123.18 3df3 h TYR 75 Ca 0.36 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.33 3df3 h TYR 75 Cb 0.33 0.26 -0.12 0.00 1.54 0.00 0.00 36.73 38.73 3df3 h TYR 75 CO -0.00 -0.47 -0.18 -0.22 -1.64 0.00 0.00 178.16 175.65 3df3 h LYS 76 N -0.86 -0.02 0.10 1.82 3.64 -1.21 -0.53 116.57 119.52 3df3 h LYS 76 Ca -0.09 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3df3 h LYS 76 Cb 0.65 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3df3 h LYS 76 CO 0.14 -0.01 -0.27 1.49 -2.27 0.00 0.00 179.45 178.53 3df3 h GLU 77 N -0.02 -0.46 -1.14 1.90 4.57 -1.28 -1.27 114.58 116.88 3df3 h GLU 77 Ca 0.30 0.03 0.34 0.00 -1.18 0.00 0.00 59.36 58.85 3df3 h GLU 77 Cb 0.48 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.06 3df3 h GLU 77 CO -0.67 -0.31 0.73 0.00 -1.18 0.00 0.00 179.01 177.58 3df3 h ALA 78 N 0.25 2.39 -0.03 2.92 0.00 -0.03 0.35 119.26 125.11 3df3 h ALA 78 Ca 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3df3 h ALA 78 Cb 0.51 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3df3 h ALA 78 CO -0.17 -0.91 -0.17 0.00 0.00 0.00 0.00 179.25 178.00 3df3 h ALA 79 N 1.64 0.05 0.00 0.00 0.00 -0.50 -3.12 119.26 117.34 3df3 h ALA 79 Ca 0.70 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3df3 h ALA 79 Cb 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3df3 h ALA 79 CO -0.39 0.01 0.00 2.89 0.00 0.00 0.00 179.25 181.77 3df3 n ARG 80 N -4.59 0.44 -3.50 0.00 1.85 0.02 -4.56 116.66 106.32 3df3 n ARG 80 Ca -0.09 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.36 3df3 n ARG 80 Cb 0.43 -1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 30.37 3df3 n ARG 80 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3df3 s LEU 81 N -1.72 4.42 0.27 2.89 1.43 -0.66 -4.96 118.68 120.35 3df3 s LEU 81 Ca 0.15 -0.30 0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3df3 s LEU 81 Cb 0.07 -2.20 0.94 0.00 0.03 0.00 0.00 46.19 45.03 3df3 s LEU 81 CO 0.12 -0.24 1.02 0.29 0.23 0.00 0.00 176.35 177.77 3df3 n LYS 82 N 5.18 -0.03 0.00 1.70 4.76 -1.26 -4.42 118.16 124.09 3df3 n LYS 82 Ca -0.12 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 3df3 n LYS 82 Cb 0.50 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3df3 n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df3 n GLY 83 N -1.28 -2.92 3.59 0.72 0.00 -1.26 -4.89 105.19 99.16 3df3 n GLY 83 Ca 0.26 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3df3 n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3df3 s ASN 84 N -1.74 6.28 0.33 1.61 3.04 -1.26 -4.89 114.94 118.31 3df3 s ASN 84 Ca 0.00 0.68 0.11 0.00 0.04 0.00 0.00 52.86 53.69 3df3 s ASN 84 Cb 0.00 -2.54 1.00 0.00 -1.54 0.00 0.00 41.25 38.17 3df3 s ASN 84 CO 0.00 -1.51 1.64 0.74 -3.04 0.00 0.00 177.10 174.93 3df3 h THR 85 N 6.45 0.25 0.08 -5.21 2.02 -1.81 0.19 112.91 114.87 3df3 h THR 85 Ca -0.27 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3df3 h THR 85 Cb 1.10 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3df3 h THR 85 CO 1.11 0.04 -0.04 1.23 0.37 0.00 0.00 175.52 178.24 3df3 h GLY 86 N 0.23 -0.13 0.03 2.16 0.00 -1.90 -2.91 103.07 100.55 3df3 h GLY 86 Ca 0.69 0.05 0.14 0.00 0.00 0.00 0.00 47.33 48.22 3df3 h GLY 86 CO -0.66 -0.05 0.17 -2.09 0.00 0.00 0.00 176.54 173.91 3df3 h GLU 87 N -0.10 0.27 -0.92 4.80 4.22 -1.81 -0.75 114.58 120.28 3df3 h GLU 87 Ca -0.01 -0.02 0.27 0.00 0.08 0.00 0.00 59.36 59.68 3df3 h GLU 87 Cb 0.08 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.12 3df3 h GLU 87 CO 0.02 0.18 0.28 -0.91 -2.18 0.00 0.00 179.01 176.39 3df3 h ASN 88 N 0.28 0.03 0.49 1.04 2.35 -0.64 0.26 115.58 119.39 3df3 h ASN 88 Ca 0.38 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.33 3df3 h ASN 88 Cb 0.62 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 3df3 h ASN 88 CO -0.47 -0.20 -0.44 0.25 -1.65 0.00 0.00 177.43 174.92 3df3 h LEU 89 N 0.18 -1.18 -0.75 1.61 5.85 -0.92 0.20 115.31 120.29 3df3 h LEU 89 Ca 0.61 0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.53 3df3 h LEU 89 Cb 1.30 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 42.63 3df3 h LEU 89 CO -0.70 -0.60 0.37 -0.07 -0.34 0.00 0.00 178.44 177.11 3df3 h LEU 90 N -0.91 0.47 0.61 2.25 -0.00 -1.24 0.19 115.31 116.67 3df3 h LEU 90 Ca -0.06 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 3df3 h LEU 90 Cb 0.78 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 3df3 h LEU 90 CO -0.03 0.25 -0.36 0.00 -0.00 0.00 0.00 178.44 178.30 3df3 h ALA 91 N 1.47 -0.92 -0.72 1.53 0.00 -0.70 -1.69 119.26 118.22 3df3 h ALA 91 Ca 0.38 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3df3 h ALA 91 Cb 0.45 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3df3 h ALA 91 CO -0.30 -1.03 0.48 -0.07 0.00 0.00 0.00 179.25 178.32 3df3 h LEU 92 N -0.91 0.51 -0.90 0.00 -0.00 -0.09 -0.13 115.31 113.80 3df3 h LEU 92 Ca -0.08 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.83 3df3 h LEU 92 Cb 0.73 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.26 3df3 h LEU 92 CO 0.08 0.30 0.59 -0.07 -0.00 0.00 0.00 178.44 179.35 3df3 h LEU 93 N 0.56 1.02 -0.50 1.67 3.38 -0.04 -2.07 115.31 119.33 3df3 h LEU 93 Ca 0.34 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 3df3 h LEU 93 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3df3 h LEU 93 CO -0.12 0.74 -0.75 -0.33 0.09 0.00 0.00 178.44 178.07 3df3 h GLU 94 N 1.21 0.08 0.00 1.13 3.07 -0.19 -3.04 114.58 116.84 3df3 h GLU 94 Ca 0.33 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3df3 h GLU 94 Cb -0.12 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3df3 h GLU 94 CO -0.08 0.79 0.13 0.78 -1.40 0.00 0.00 179.01 179.23 3df3 h GLY 95 N 2.01 0.00 -4.30 -3.84 0.00 -0.45 -3.36 103.07 93.14 3df3 h GLY 95 Ca -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 3df3 h GLY 95 CO 0.10 0.00 0.88 0.50 0.00 0.00 0.00 176.54 178.03 3df3 s ARG 96 N -3.81 4.13 0.18 4.80 0.52 -1.15 -1.21 118.95 122.42 3df3 s ARG 96 Ca -0.03 2.55 -0.13 0.00 -0.52 0.00 0.00 55.73 57.60 3df3 s ARG 96 Cb 0.08 -3.03 0.08 0.00 0.52 0.00 0.00 34.95 32.60 3df3 s ARG 96 CO 0.26 -0.62 1.84 1.25 0.02 0.00 0.00 175.30 178.05 3df3 h LEU 97 N 4.97 0.62 -2.42 2.53 5.85 -1.03 -0.92 115.31 124.90 3df3 h LEU 97 Ca -0.47 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3df3 h LEU 97 Cb 1.22 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3df3 h LEU 97 CO 0.80 0.45 0.07 -2.24 -0.34 0.00 0.00 178.44 177.18 3df3 h ASP 98 N 0.74 0.00 0.09 1.25 -0.00 -1.84 -0.26 116.42 116.39 3df3 h ASP 98 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3df3 h ASP 98 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.26 3df3 h ASP 98 CO -0.05 0.00 -0.04 -1.13 -0.00 0.00 0.00 179.24 178.01 3df3 h ASN 99 N 0.00 -0.10 -0.50 4.15 -1.24 -1.48 -3.12 115.58 113.30 3df3 h ASN 99 Ca 0.03 -0.09 0.09 0.00 0.71 0.00 0.00 56.30 57.04 3df3 h ASN 99 Cb 0.17 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.17 3df3 h ASN 99 CO -0.00 0.43 0.08 -0.37 -1.29 0.00 0.00 177.43 176.28 3df3 h VAL 100 N -1.02 0.70 -0.96 2.57 -1.51 -1.07 0.24 116.25 115.20 3df3 h VAL 100 Ca -0.01 -0.07 0.17 0.00 -1.23 0.00 0.00 66.70 65.56 3df3 h VAL 100 Cb 0.18 0.46 -0.10 0.00 -2.13 0.00 0.00 31.29 29.70 3df3 h VAL 100 CO 0.02 0.04 0.56 0.58 -1.23 0.00 0.00 177.57 177.54 3df3 h VAL 101 N 0.22 0.72 0.33 7.19 2.07 -1.19 -1.15 116.25 124.43 3df3 h VAL 101 Ca 0.25 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3df3 h VAL 101 Cb 0.35 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3df3 h VAL 101 CO -0.35 0.13 -0.16 0.22 0.02 0.00 0.00 177.57 177.44 3df3 h TYR 102 N 0.73 -0.41 0.00 1.57 3.20 -0.93 -3.09 116.97 118.05 3df3 h TYR 102 Ca 0.54 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.40 3df3 h TYR 102 Cb 0.80 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3df3 h TYR 102 CO -0.03 -0.11 0.00 0.54 -1.64 0.00 0.00 178.16 176.92 3df3 n ARG 103 N -5.17 0.24 -1.39 1.82 1.74 -0.50 -2.68 116.66 110.72 3df3 n ARG 103 Ca -0.10 0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3df3 n ARG 103 Cb 0.26 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.29 3df3 n ARG 103 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3df3 n MET 104 N -1.19 2.70 0.00 5.56 2.81 -0.51 -4.85 117.12 121.64 3df3 n MET 104 Ca 0.07 -3.42 0.00 0.00 -1.81 0.00 0.00 57.70 52.54 3df3 n MET 104 Cb 0.08 -2.21 0.00 0.00 -0.71 0.00 0.00 33.22 30.38 3df3 n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3df3 n GLY 105 N -0.94 1.51 3.49 3.03 0.00 -1.09 -4.93 105.19 106.26 3df3 n GLY 105 Ca 0.55 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 3df3 n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df3 n PHE 106 N 0.00 0.12 -1.81 1.61 3.72 -1.23 -1.99 117.46 117.89 3df3 n PHE 106 Ca 0.00 0.69 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 3df3 n PHE 106 Cb 0.00 -2.08 0.00 0.00 -0.94 0.00 0.00 39.48 36.46 3df3 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3df3 n GLY 107 N 1.62 -5.05 0.49 1.37 0.00 -1.26 -3.99 105.19 98.37 3df3 n GLY 107 Ca 0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 3df3 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 h ALA 108 N 3.32 -1.14 -1.07 4.61 0.00 -1.86 -3.45 119.26 119.68 3df3 h ALA 108 Ca 0.00 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 54.17 3df3 h ALA 108 Cb 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3df3 h ALA 108 CO 0.00 -1.17 -0.33 0.95 0.00 0.00 0.00 179.25 178.70 3df3 s THR 109 N -5.91 2.17 0.11 0.00 -4.23 -1.26 -4.72 115.64 101.80 3df3 s THR 109 Ca -0.18 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 3df3 s THR 109 Cb 0.04 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 3df3 s THR 109 CO 0.61 0.00 1.52 0.03 -0.54 0.00 0.00 174.62 176.24 3df3 h ARG 110 N 0.88 0.67 -0.07 3.99 3.08 -1.86 -2.14 114.38 118.92 3df3 h ARG 110 Ca -0.39 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.40 3df3 h ARG 110 Cb 1.28 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3df3 h ARG 110 CO 0.57 0.82 -0.05 0.00 -1.07 0.00 0.00 179.97 180.24 3df3 h ALA 111 N 0.83 1.80 0.00 0.04 0.00 -1.93 0.40 119.26 120.40 3df3 h ALA 111 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3df3 h ALA 111 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3df3 h ALA 111 CO 0.03 0.16 -0.15 1.49 0.00 0.00 0.00 179.25 180.78 3df3 h GLU 112 N 0.10 0.00 -0.01 0.00 4.81 -1.88 -3.03 114.58 114.56 3df3 h GLU 112 Ca 0.02 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.05 3df3 h GLU 112 Cb 0.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3df3 h GLU 112 CO 0.01 0.15 -0.87 0.00 -0.73 0.00 0.00 179.01 177.56 3df3 h ALA 113 N 1.85 0.47 0.44 2.92 0.00 -0.27 -3.30 119.26 121.37 3df3 h ALA 113 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3df3 h ALA 113 Cb 0.95 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3df3 h ALA 113 CO 0.02 0.84 -0.51 -0.09 0.00 0.00 0.00 179.25 179.51 3df3 h ARG 114 N 0.19 -0.93 -1.06 0.00 1.12 -1.26 -2.24 114.38 110.20 3df3 h ARG 114 Ca -0.06 0.06 0.32 0.00 -1.11 0.00 0.00 59.98 59.19 3df3 h ARG 114 Cb 1.49 0.21 -0.13 0.00 -0.01 0.00 0.00 29.97 31.53 3df3 h ARG 114 CO 0.14 -0.62 0.64 0.37 -3.11 0.00 0.00 179.97 177.39 3df3 h GLN 115 N -0.97 0.33 0.30 0.20 4.15 -1.65 0.18 115.11 117.65 3df3 h GLN 115 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3df3 h GLN 115 Cb 0.86 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 3df3 h GLN 115 CO -0.10 0.22 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.79 3df3 h LEU 116 N 0.34 -0.40 0.15 -2.39 3.38 -1.49 -0.26 115.31 114.65 3df3 h LEU 116 Ca 0.71 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.69 3df3 h LEU 116 Cb 1.70 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 3df3 h LEU 116 CO -0.50 -0.27 -0.11 0.58 0.09 0.00 0.00 178.44 178.24 3df3 h VAL 117 N -0.43 0.00 -0.96 1.22 2.07 -0.43 0.48 116.25 118.20 3df3 h VAL 117 Ca -0.04 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.80 3df3 h VAL 117 Cb 0.35 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.96 3df3 h VAL 117 CO 0.05 0.00 0.38 -1.28 0.02 0.00 0.00 177.57 176.74 3df3 h SER 118 N -0.25 0.15 -0.28 0.57 0.87 -1.21 0.20 113.55 113.60 3df3 h SER 118 Ca -0.02 0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 3df3 h SER 118 Cb 0.20 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 3df3 h SER 118 CO 0.01 -0.25 0.22 1.41 -0.53 0.00 0.00 176.83 177.69 3df3 n HIS 119 N -5.23 0.89 -4.39 2.24 -0.00 -0.11 -4.77 115.22 103.85 3df3 n HIS 119 Ca 0.29 -1.29 -0.35 0.00 -0.00 0.00 0.00 57.72 56.37 3df3 n HIS 119 Cb 0.94 -0.64 -0.09 0.00 -0.00 0.00 0.00 29.99 30.20 3df3 n HIS 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3df3 n LYS 120 N 0.50 -0.99 -0.00 -0.41 4.01 0.06 -4.81 118.16 116.51 3df3 n LYS 120 Ca 0.17 0.12 0.10 0.00 -0.51 0.00 0.00 58.31 58.20 3df3 n LYS 120 Cb 0.66 -4.05 -0.13 0.00 -0.51 0.00 0.00 35.03 31.00 3df3 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3df3 n ALA 121 N -4.39 4.27 -2.57 7.82 0.00 0.15 -4.82 120.51 120.97 3df3 n ALA 121 Ca -0.16 -0.57 -0.24 0.00 0.00 0.00 0.00 53.44 52.47 3df3 n ALA 121 Cb 0.61 -0.76 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 3df3 n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3df3 s ILE 122 N -3.10 3.00 -0.39 0.00 -1.09 -1.25 -0.93 121.20 117.45 3df3 s ILE 122 Ca 0.04 -1.99 0.07 0.00 -2.23 0.00 0.00 60.65 56.55 3df3 s ILE 122 Cb 0.15 -2.76 0.18 0.00 -1.58 0.00 0.00 42.46 38.46 3df3 s ILE 122 CO 0.87 -0.31 0.61 0.00 -1.23 0.00 0.00 174.94 174.88 3df3 s MET 123 N -3.68 0.76 0.37 2.79 0.23 -1.18 -1.68 119.30 116.90 3df3 s MET 123 Ca 0.33 -0.13 -0.27 0.00 -1.03 0.00 0.00 55.69 54.59 3df3 s MET 123 Cb -0.04 0.09 -0.09 0.00 -1.53 0.00 0.00 34.83 33.26 3df3 s MET 123 CO 0.19 -1.16 1.21 0.08 -2.03 0.00 0.00 175.02 173.31 3df3 s VAL 124 N 2.02 3.01 -1.78 5.16 1.01 -0.88 -3.45 120.40 125.50 3df3 s VAL 124 Ca 0.15 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 3df3 s VAL 124 Cb -0.06 -3.55 0.18 0.00 0.00 0.00 0.00 36.38 32.95 3df3 s VAL 124 CO -0.11 0.15 0.52 0.59 0.00 0.00 0.00 175.10 176.26 3df3 n ASN 125 N 0.43 -1.56 0.00 3.32 4.13 -0.66 -3.15 115.26 117.78 3df3 n ASN 125 Ca 0.02 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 55.08 3df3 n ASN 125 Cb 0.45 -1.85 0.00 0.00 -1.54 0.00 0.00 39.78 36.84 3df3 n ASN 125 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3df3 n GLY 126 N -1.41 0.98 3.31 7.41 0.00 -1.22 -5.02 105.19 109.24 3df3 n GLY 126 Ca 0.02 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3df3 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df3 n ARG 127 N 0.00 0.17 -3.29 1.61 3.00 -1.19 -4.71 116.66 112.25 3df3 n ARG 127 Ca 0.00 0.07 -0.32 0.00 -0.01 0.00 0.00 57.85 57.59 3df3 n ARG 127 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.03 3df3 n ARG 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3df3 s VAL 128 N -1.94 4.81 0.07 1.55 0.11 -1.26 -2.06 120.40 121.68 3df3 s VAL 128 Ca 0.59 0.72 0.02 0.00 -2.93 0.00 0.00 61.98 60.38 3df3 s VAL 128 Cb -0.39 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 3df3 s VAL 128 CO 0.64 -0.09 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.56 3df3 s VAL 129 N -1.85 0.69 0.00 2.04 1.01 -0.68 -4.89 120.40 116.72 3df3 s VAL 129 Ca 0.49 -1.48 0.17 0.00 0.00 0.00 0.00 61.98 61.17 3df3 s VAL 129 Cb -0.11 -1.12 0.29 0.00 0.00 0.00 0.00 36.38 35.43 3df3 s VAL 129 CO 0.19 -0.57 1.10 -0.46 0.00 0.00 0.00 175.10 175.36 3df3 n ASN 130 N 0.79 0.49 -4.09 3.32 6.94 -1.24 -4.20 115.26 117.26 3df3 n ASN 130 Ca -0.18 -1.97 -0.33 0.00 -0.02 0.00 0.00 54.58 52.08 3df3 n ASN 130 Cb 0.57 -0.17 -0.14 0.00 -2.36 0.00 0.00 39.78 37.68 3df3 n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3df3 s ILE 131 N 0.00 2.65 0.63 1.53 1.01 -1.26 -3.67 121.20 122.09 3df3 s ILE 131 Ca 0.23 -1.95 0.33 0.00 0.00 0.00 0.00 60.65 59.26 3df3 s ILE 131 Cb 0.26 -2.76 0.37 0.00 0.01 0.00 0.00 42.46 40.34 3df3 s ILE 131 CO -0.11 -0.41 2.11 0.00 0.00 0.00 0.00 174.94 176.52 3df3 h ALA 132 N 7.83 1.53 -0.00 9.38 0.00 -1.93 0.19 119.26 136.25 3df3 h ALA 132 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3df3 h ALA 132 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3df3 h ALA 132 CO 0.56 -0.26 -0.20 -1.13 0.00 0.00 0.00 179.25 178.21 3df3 n SER 133 N -3.41 0.65 -4.68 0.00 3.41 -1.26 -3.05 113.62 105.29 3df3 n SER 133 Ca -0.00 -0.59 -0.45 0.00 -0.26 0.00 0.00 58.87 57.57 3df3 n SER 133 Cb 0.30 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 3df3 n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df3 n TYR 134 N -0.94 2.30 -3.34 7.33 9.36 0.68 -4.74 117.16 127.81 3df3 n TYR 134 Ca 0.12 0.30 -0.40 0.00 3.32 0.00 0.00 57.90 61.25 3df3 n TYR 134 Cb 0.31 -2.53 -0.09 0.00 -0.63 0.00 0.00 39.34 36.41 3df3 n TYR 134 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3df3 s GLN 135 N 0.50 3.97 -0.27 2.98 2.00 -1.26 -1.11 119.66 126.47 3df3 s GLN 135 Ca 0.75 0.07 -0.11 0.00 -2.00 0.00 0.00 55.36 54.07 3df3 s GLN 135 Cb -0.65 -3.68 -0.05 0.00 0.80 0.00 0.00 33.01 29.43 3df3 s GLN 135 CO 0.41 -0.34 0.18 0.14 -0.50 0.00 0.00 175.29 175.17 3df3 s VAL 136 N 2.16 5.24 0.82 1.34 -7.23 -0.35 -5.00 120.40 117.39 3df3 s VAL 136 Ca 0.17 0.15 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 3df3 s VAL 136 Cb -0.16 -3.49 0.12 0.00 0.56 0.00 0.00 36.38 33.41 3df3 s VAL 136 CO 0.10 0.27 1.16 -0.94 -0.31 0.00 0.00 175.10 175.39 3df3 s SER 137 N 1.63 4.14 1.15 4.85 1.04 -1.26 -4.82 113.70 120.42 3df3 s SER 137 Ca 0.07 0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.80 3df3 s SER 137 Cb -0.16 -0.82 0.27 0.00 0.10 0.00 0.00 66.02 65.42 3df3 s SER 137 CO 0.09 -2.08 1.04 -2.16 0.98 0.00 0.00 173.24 171.11 3df3 s PRO 138 N -5.55 -0.79 0.00 4.02 0.04 -1.26 -3.50 135.00 127.96 3df3 s PRO 138 Ca 0.66 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.35 3df3 s PRO 138 Cb -0.08 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.87 3df3 s PRO 138 CO 0.49 -3.59 0.00 0.09 0.04 0.00 0.00 177.00 174.03 3df3 n ASN 139 N -4.79 0.00 -4.51 6.66 3.02 0.37 -4.92 115.26 111.09 3df3 n ASN 139 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.24 3df3 n ASN 139 Cb 0.56 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.82 3df3 n ASN 139 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3df3 n ASP 140 N 0.82 -0.85 -4.17 6.41 8.00 -1.23 -4.31 116.55 121.24 3df3 n ASP 140 Ca 0.00 0.54 -0.33 0.00 0.71 0.00 0.00 54.79 55.72 3df3 n ASP 140 Cb 0.00 -1.28 -0.16 0.00 -0.02 0.00 0.00 41.12 39.66 3df3 n ASP 140 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3df3 s VAL 141 N -2.04 2.11 -1.06 2.53 -7.23 -1.25 -0.46 120.40 113.00 3df3 s VAL 141 Ca 0.66 -0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 59.74 3df3 s VAL 141 Cb -0.31 -1.85 0.20 0.00 0.56 0.00 0.00 36.38 34.97 3df3 s VAL 141 CO 0.58 0.54 1.17 -0.69 -0.31 0.00 0.00 175.10 176.40 3df3 s VAL 142 N 0.92 5.31 0.57 1.32 1.01 0.26 -1.65 120.40 128.13 3df3 s VAL 142 Ca -0.04 -2.57 -0.05 0.00 0.00 0.00 0.00 61.98 59.32 3df3 s VAL 142 Cb -0.15 -4.73 0.12 0.00 0.00 0.00 0.00 36.38 31.62 3df3 s VAL 142 CO -0.04 -1.39 0.78 -1.54 0.00 0.00 0.00 175.10 172.91 3df3 n SER 143 N 4.83 0.58 -4.17 3.32 3.41 -1.24 -2.47 113.62 117.88 3df3 n SER 143 Ca 0.27 -1.60 -0.20 0.00 -0.26 0.00 0.00 58.87 57.07 3df3 n SER 143 Cb 0.44 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 3df3 n SER 143 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3df3 s ILE 144 N -2.42 1.19 0.20 -1.33 1.01 -1.09 -3.12 121.20 115.63 3df3 s ILE 144 Ca 0.48 -1.12 -0.33 0.00 0.00 0.00 0.00 60.65 59.68 3df3 s ILE 144 Cb -0.02 -1.09 -0.13 0.00 0.01 0.00 0.00 42.46 41.22 3df3 s ILE 144 CO 0.33 -0.04 1.54 0.54 0.00 0.00 0.00 174.94 177.31 3df3 n ARG 145 N 1.70 2.21 0.30 2.79 5.12 -0.10 -4.69 116.66 123.98 3df3 n ARG 145 Ca -0.19 0.79 0.14 0.00 -1.93 0.00 0.00 57.85 56.67 3df3 n ARG 145 Cb 0.54 -2.54 0.75 0.00 -1.16 0.00 0.00 32.46 30.06 3df3 n ARG 145 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3df3 h GLU 146 N 5.43 0.00 -0.50 5.56 3.07 -1.98 0.91 114.58 127.06 3df3 h GLU 146 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3df3 h GLU 146 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3df3 h GLU 146 CO 0.85 0.00 0.00 0.36 -1.40 0.00 0.00 179.01 178.82 3df3 n LYS 147 N -2.72 2.56 -0.02 2.33 -0.00 -1.26 -4.35 118.16 114.71 3df3 n LYS 147 Ca -0.02 -2.39 -0.04 0.00 -0.00 0.00 0.00 58.31 55.86 3df3 n LYS 147 Cb 0.33 -1.51 -0.02 0.00 -0.00 0.00 0.00 35.03 33.82 3df3 n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df3 n ALA 148 N 1.48 2.01 0.10 0.58 0.00 0.29 -4.60 120.51 120.37 3df3 n ALA 148 Ca 0.20 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3df3 n ALA 148 Cb 0.60 0.40 0.25 0.00 0.00 0.00 0.00 19.45 20.69 3df3 n ALA 148 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df3 n LYS 149 N -2.72 0.06 -3.37 0.00 2.85 -0.01 -2.84 118.16 112.13 3df3 n LYS 149 Ca -0.09 0.49 -0.34 0.00 -1.05 0.00 0.00 58.31 57.32 3df3 n LYS 149 Cb 0.59 -1.90 -0.05 0.00 -0.65 0.00 0.00 35.03 33.01 3df3 n LYS 149 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3df3 n LYS 150 N -1.80 3.11 -3.06 -1.58 3.00 -1.26 -4.86 118.16 111.71 3df3 n LYS 150 Ca -0.01 -4.59 -0.09 0.00 -0.00 0.00 0.00 58.31 53.62 3df3 n LYS 150 Cb 0.22 -2.37 -0.03 0.00 0.00 0.00 0.00 35.03 32.85 3df3 n LYS 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3df3 n GLN 151 N 1.39 0.36 -0.05 1.64 6.02 -1.13 -5.05 117.38 120.57 3df3 n GLN 151 Ca 0.26 -1.71 -0.03 0.00 -0.01 0.00 0.00 57.00 55.51 3df3 n GLN 151 Cb 0.37 1.58 -0.02 0.00 1.02 0.00 0.00 30.24 33.19 3df3 n GLN 151 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3df3 h SER 152 N 1.16 0.00 -0.36 1.08 0.87 -1.95 -3.37 113.55 110.98 3df3 h SER 152 Ca -0.15 -0.16 0.07 0.00 -1.23 0.00 0.00 61.79 60.32 3df3 h SER 152 Cb 0.69 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 3df3 h SER 152 CO 0.21 0.60 -0.07 0.08 -0.53 0.00 0.00 176.83 177.12 3df3 h ARG 153 N -1.00 0.02 -0.90 2.24 0.11 -1.98 -2.13 114.38 110.73 3df3 h ARG 153 Ca -0.00 -0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.29 3df3 h ARG 153 Cb 0.20 -0.00 -0.17 0.00 1.11 0.00 0.00 29.97 31.11 3df3 h ARG 153 CO -0.00 0.01 -0.07 -0.39 0.10 0.00 0.00 179.97 179.62 3df3 h VAL 154 N 0.02 0.13 0.08 0.08 -1.51 -1.87 -0.39 116.25 112.79 3df3 h VAL 154 Ca 0.18 -0.01 -0.11 0.00 -1.23 0.00 0.00 66.70 65.53 3df3 h VAL 154 Cb 0.26 0.09 0.01 0.00 -2.13 0.00 0.00 31.29 29.53 3df3 h VAL 154 CO -0.36 0.01 -0.47 0.07 -1.23 0.00 0.00 177.57 175.59 3df3 h LYS 155 N 0.03 0.16 -1.08 5.19 2.10 -1.66 -3.08 116.57 118.23 3df3 h LYS 155 Ca 0.49 -0.28 0.30 0.00 -2.00 0.00 0.00 60.65 59.16 3df3 h LYS 155 Cb 0.90 0.10 -0.10 0.00 -0.90 0.00 0.00 32.23 32.23 3df3 h LYS 155 CO -0.86 1.13 0.69 0.00 -2.00 0.00 0.00 179.45 178.42 3df3 h ALA 156 N 0.04 2.29 0.38 0.07 0.00 -0.71 0.20 119.26 121.53 3df3 h ALA 156 Ca -0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3df3 h ALA 156 Cb 1.36 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3df3 h ALA 156 CO 0.08 -0.75 -0.18 0.00 0.00 0.00 0.00 179.25 178.40 3df3 h ALA 157 N 1.63 -0.51 0.00 0.00 0.00 -1.18 -3.10 119.26 116.10 3df3 h ALA 157 Ca 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3df3 h ALA 157 Cb 1.69 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3df3 h ALA 157 CO -0.34 -0.49 0.23 1.28 0.00 0.00 0.00 179.25 179.93 3df3 n LEU 158 N -5.12 0.22 0.00 0.00 4.77 -0.54 -2.68 117.00 113.66 3df3 n LEU 158 Ca -0.07 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3df3 n LEU 158 Cb 0.23 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3df3 n LEU 158 CO 0.18 -0.55 0.30 1.21 -1.33 0.00 0.00 177.39 177.20 3df3 n GLU 159 N -1.77 0.00 0.00 3.23 2.13 -0.05 -3.07 120.64 121.10 3df3 n GLU 159 Ca -0.01 0.36 0.01 0.00 0.66 0.00 0.00 57.16 58.18 3df3 n GLU 159 Cb 0.24 -1.21 0.03 0.00 0.27 0.00 0.00 31.44 30.78 3df3 n GLU 159 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 3df3 n LEU 160 N -1.58 0.00 -0.29 4.31 -0.00 -1.09 -2.24 117.00 116.11 3df3 n LEU 160 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 3df3 n LEU 160 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 3df3 n LEU 160 CO 0.00 0.00 1.21 0.00 -0.00 0.00 0.00 177.39 178.60 3df3 h ALA 161 N 1.94 1.03 0.00 1.47 0.00 -1.53 -1.29 119.26 120.88 3df3 h ALA 161 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3df3 h ALA 161 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3df3 h ALA 161 CO 0.00 0.41 -1.01 1.49 0.00 0.00 0.00 179.25 180.14 3df3 h GLU 162 N 1.07 0.00 -0.55 0.00 4.22 -1.63 -3.18 114.58 114.52 3df3 h GLU 162 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 3df3 h GLU 162 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3df3 h GLU 162 CO -0.08 0.42 0.00 1.04 -2.18 0.00 0.00 179.01 178.22 3df3 n GLN 163 N -3.06 0.91 -3.80 1.92 6.02 -0.64 -4.68 117.38 114.05 3df3 n GLN 163 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.83 3df3 n GLN 163 Cb 0.80 -1.27 -0.08 0.00 1.02 0.00 0.00 30.24 30.71 3df3 n GLN 163 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3df3 s ARG 164 N -1.40 0.70 0.38 -1.09 6.06 -0.58 -4.98 118.95 118.04 3df3 s ARG 164 Ca 0.00 -0.47 -0.23 0.00 -2.50 0.00 0.00 55.73 52.52 3df3 s ARG 164 Cb 0.00 0.30 -0.14 0.00 0.06 0.00 0.00 34.95 35.17 3df3 s ARG 164 CO 0.00 -0.21 0.54 -1.91 -2.50 0.00 0.00 175.30 171.23 3df3 n GLU 165 N 0.86 0.53 -2.62 5.12 2.13 -1.26 -4.86 120.64 120.54 3df3 n GLU 165 Ca -0.20 0.19 -0.27 0.00 0.66 0.00 0.00 57.16 57.54 3df3 n GLU 165 Cb 0.58 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.86 3df3 n GLU 165 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3df3 s LYS 166 N -1.45 3.47 0.00 5.31 -0.14 -1.26 -4.95 119.74 120.72 3df3 s LYS 166 Ca 0.62 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 3df3 s LYS 166 Cb -0.65 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 3df3 s LYS 166 CO 0.59 -0.25 0.00 -0.35 -0.76 0.00 0.00 175.35 174.57 3df3 n PRO 167 N -2.29 3.01 0.00 -1.68 -0.04 -1.26 -5.06 135.00 127.68 3df3 n PRO 167 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3df3 n PRO 167 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 3df3 n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3df3 n THR 168 N 0.00 0.00 -0.98 0.52 -2.24 -1.26 -4.96 114.28 105.36 3df3 n THR 168 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3df3 n THR 168 Cb 0.00 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.52 3df3 n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3df3 n TRP 169 N -0.14 1.21 -3.61 4.78 2.14 -1.26 -4.95 117.44 115.60 3df3 n TRP 169 Ca 0.00 -0.85 -0.16 0.00 2.07 0.00 0.00 57.50 58.56 3df3 n TRP 169 Cb 0.00 -0.36 -0.07 0.00 -0.81 0.00 0.00 31.31 30.07 3df3 n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 3df3 s LEU 170 N -2.83 -0.07 -0.35 5.67 0.05 -1.26 -1.05 118.68 118.84 3df3 s LEU 170 Ca 0.45 0.48 -0.00 0.00 0.05 0.00 0.00 54.13 55.11 3df3 s LEU 170 Cb 0.36 2.04 0.09 0.00 -2.05 0.00 0.00 46.19 46.63 3df3 s LEU 170 CO 0.10 -0.54 0.09 -1.61 -0.55 0.00 0.00 176.35 173.84 3df3 s GLU 171 N -1.23 1.97 -0.19 1.48 2.02 0.65 -4.88 118.70 118.52 3df3 s GLU 171 Ca -0.12 -1.67 -0.14 0.00 0.02 0.00 0.00 54.97 53.06 3df3 s GLU 171 Cb -0.02 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 3df3 s GLU 171 CO 0.08 -0.89 0.31 0.54 0.02 0.00 0.00 175.26 175.31 3df3 s VAL 172 N 1.09 5.28 -0.30 2.63 0.11 -1.26 -0.14 120.40 127.80 3df3 s VAL 172 Ca 0.05 0.54 0.02 0.00 -2.93 0.00 0.00 61.98 59.66 3df3 s VAL 172 Cb -0.21 -3.65 0.07 0.00 -1.53 0.00 0.00 36.38 31.07 3df3 s VAL 172 CO -0.05 0.33 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.42 3df3 s ASP 173 N 0.77 4.71 0.46 3.54 -1.08 -0.55 -4.97 116.67 119.54 3df3 s ASP 173 Ca 0.16 -1.61 0.25 0.00 -0.52 0.00 0.00 52.55 50.83 3df3 s ASP 173 Cb -0.14 -1.63 1.03 0.00 -1.46 0.00 0.00 42.92 40.72 3df3 s ASP 173 CO 0.05 -0.29 1.87 0.00 0.52 0.00 0.00 175.17 177.33 3df3 h ALA 174 N 7.81 1.06 0.00 3.66 0.00 -1.96 -0.60 119.26 129.23 3df3 h ALA 174 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3df3 h ALA 174 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3df3 h ALA 174 CO 0.51 0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.80 3df3 h GLY 175 N 1.86 0.00 0.00 0.00 0.00 -1.95 -3.03 103.07 99.95 3df3 h GLY 175 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3df3 h GLY 175 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 3df3 n LYS 176 N -2.80 0.26 -3.28 4.80 5.02 -1.11 -5.02 118.16 116.04 3df3 n LYS 176 Ca -0.00 -0.49 -0.24 0.00 -2.02 0.00 0.00 58.31 55.56 3df3 n LYS 176 Cb 0.19 -0.70 0.04 0.00 -0.02 0.00 0.00 35.03 34.54 3df3 n LYS 176 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3df3 n MET 177 N -0.08 -5.37 -4.06 1.97 2.81 -0.32 -4.85 117.12 107.23 3df3 n MET 177 Ca 0.00 0.80 -0.23 0.00 -1.81 0.00 0.00 57.70 56.46 3df3 n MET 177 Cb 0.25 -5.68 -0.06 0.00 -0.71 0.00 0.00 33.22 27.02 3df3 n MET 177 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3df3 s GLU 178 N -5.97 2.37 -0.29 0.03 2.02 -0.71 -2.69 118.70 113.47 3df3 s GLU 178 Ca 0.41 -1.58 0.01 0.00 0.02 0.00 0.00 54.97 53.83 3df3 s GLU 178 Cb -0.19 -2.17 0.15 0.00 0.10 0.00 0.00 34.13 32.02 3df3 s GLU 178 CO 0.51 0.06 0.36 0.20 0.02 0.00 0.00 175.26 176.41 3df3 s GLY 179 N -3.88 -0.39 0.21 -1.39 0.00 -1.03 -1.48 107.32 99.35 3df3 s GLY 179 Ca 0.39 0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 3df3 s GLY 179 CO 0.23 2.86 1.04 -1.59 0.00 0.00 0.00 173.10 175.64 3df3 s THR 180 N 2.47 3.92 -0.96 0.90 2.01 0.80 0.89 115.64 125.67 3df3 s THR 180 Ca 0.10 1.78 -0.03 0.00 0.31 0.00 0.00 61.69 63.85 3df3 s THR 180 Cb -0.13 -4.13 0.27 0.00 0.01 0.00 0.00 72.50 68.51 3df3 s THR 180 CO -0.30 0.36 1.09 0.33 -0.69 0.00 0.00 174.62 175.41 3df3 n PHE 181 N 1.91 3.64 0.00 4.92 7.35 0.39 -0.25 117.46 135.42 3df3 n PHE 181 Ca 0.00 -3.55 0.00 0.00 -0.76 0.00 0.00 57.45 53.15 3df3 n PHE 181 Cb 0.46 -1.19 0.00 0.00 0.35 0.00 0.00 39.48 39.10 3df3 n PHE 181 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3df3 n LYS 182 N 1.78 0.00 -4.03 -4.13 5.02 -0.22 0.14 118.16 116.72 3df3 n LYS 182 Ca 0.25 0.41 -0.15 0.00 -2.02 0.00 0.00 58.31 56.80 3df3 n LYS 182 Cb 0.37 -0.79 -0.04 0.00 -0.02 0.00 0.00 35.03 34.55 3df3 n LYS 182 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3df3 n ARG 183 N -1.08 0.66 -1.73 1.97 -4.01 -0.84 -3.44 116.66 108.19 3df3 n ARG 183 Ca 0.00 -2.90 -0.40 0.00 -1.04 0.00 0.00 57.85 53.51 3df3 n ARG 183 Cb 0.00 2.71 0.02 0.00 -3.04 0.00 0.00 32.46 32.16 3df3 n ARG 183 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3df3 n LYS 184 N -0.59 1.99 -2.25 2.89 4.76 -1.26 -4.72 118.16 118.98 3df3 n LYS 184 Ca 0.02 0.71 -0.40 0.00 -2.87 0.00 0.00 58.31 55.77 3df3 n LYS 184 Cb 0.59 -2.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.24 3df3 n LYS 184 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3df3 s PRO 185 N -2.45 2.91 0.71 1.97 0.04 -1.26 -4.90 135.00 132.03 3df3 s PRO 185 Ca 0.63 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 3df3 s PRO 185 Cb -0.46 -4.28 -0.00 0.00 0.04 0.00 0.00 34.50 29.79 3df3 s PRO 185 CO 0.56 -2.42 0.94 -1.91 0.04 0.00 0.00 177.00 174.20 3df3 n GLU 186 N 9.16 0.52 -0.08 4.56 0.00 -1.26 -4.77 120.64 128.78 3df3 n GLU 186 Ca 0.14 0.23 -0.08 0.00 0.00 0.00 0.00 57.16 57.45 3df3 n GLU 186 Cb 0.51 -2.19 -0.06 0.00 0.00 0.00 0.00 31.44 29.70 3df3 n GLU 186 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3df3 h ARG 187 N -0.20 -0.21 0.00 5.31 9.65 -1.96 -2.95 114.38 124.01 3df3 h ARG 187 Ca -0.47 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3df3 h ARG 187 Cb 1.34 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.97 3df3 h ARG 187 CO 0.47 -0.14 0.00 -1.13 2.80 0.00 0.00 179.97 181.97 3df3 n SER 188 N -4.21 0.00 -0.70 -3.80 3.41 -1.26 0.19 113.62 107.25 3df3 n SER 188 Ca -0.02 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 3df3 n SER 188 Cb 0.19 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3df3 n SER 188 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3df3 n ASP 189 N -2.63 0.43 0.00 4.04 5.68 -1.19 -1.81 116.55 121.06 3df3 n ASP 189 Ca 0.00 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 3df3 n ASP 189 Cb 0.00 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3df3 n ASP 189 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3df3 n LEU 190 N 0.58 0.00 0.00 -2.12 0.00 0.04 -4.84 117.00 110.66 3df3 n LEU 190 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 3df3 n LEU 190 Cb 0.08 0.00 0.15 0.00 0.00 0.00 0.00 43.42 43.65 3df3 n LEU 190 CO 0.00 0.00 0.17 -1.54 0.00 0.00 0.00 177.39 176.02 3df3 n SER 191 N -0.88 -2.95 0.00 1.96 3.41 0.51 -5.04 113.62 110.62 3df3 n SER 191 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3df3 n SER 191 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3df3 n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df3 n ALA 192 N -4.19 0.00 0.69 7.33 0.00 -1.26 -4.94 120.51 118.13 3df3 n ALA 192 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3df3 n ALA 192 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3df3 n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df3 n ASP 193 N 0.00 3.02 -4.52 0.00 8.00 -1.26 -4.76 116.55 117.03 3df3 n ASP 193 Ca 0.00 -1.87 -0.40 0.00 0.71 0.00 0.00 54.79 53.23 3df3 n ASP 193 Cb 0.00 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 40.46 3df3 n ASP 193 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3df3 s ILE 194 N 0.12 5.25 -0.95 0.53 2.07 -1.26 -5.02 121.20 121.93 3df3 s ILE 194 Ca 0.00 -0.27 -0.15 0.00 -1.41 0.00 0.00 60.65 58.82 3df3 s ILE 194 Cb 0.00 -3.71 0.19 0.00 0.13 0.00 0.00 42.46 39.07 3df3 s ILE 194 CO 0.00 -0.03 1.02 0.20 -1.91 0.00 0.00 174.94 174.22 3df3 s ASN 195 N 1.71 6.83 0.02 4.50 0.02 -1.26 -4.89 114.94 121.87 3df3 s ASN 195 Ca 0.06 -2.63 -0.25 0.00 -1.02 0.00 0.00 52.86 49.02 3df3 s ASN 195 Cb -0.18 -2.30 -0.18 0.00 0.02 0.00 0.00 41.25 38.61 3df3 s ASN 195 CO 0.10 -0.72 1.42 1.05 0.02 0.00 0.00 177.10 178.97 3df3 h GLU 196 N 7.92 -0.04 -1.63 -0.60 4.11 -1.95 -3.18 114.58 119.21 3df3 h GLU 196 Ca 0.16 0.00 0.47 0.00 0.07 0.00 0.00 59.36 60.07 3df3 h GLU 196 Cb 0.99 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.19 3df3 h GLU 196 CO 0.97 0.28 1.25 1.12 0.07 0.00 0.00 179.01 182.70 3df3 h HIS 197 N -0.35 0.00 -0.66 2.06 2.07 -1.94 0.31 115.15 116.64 3df3 h HIS 197 Ca -0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.52 3df3 h HIS 197 Cb 0.33 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.28 3df3 h HIS 197 CO 0.03 0.00 0.44 -0.07 -3.07 0.00 0.00 177.93 175.26 3df3 h LEU 198 N 0.00 0.76 -0.25 6.12 3.38 -1.97 -2.94 115.31 120.41 3df3 h LEU 198 Ca 0.77 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.66 3df3 h LEU 198 Cb 3.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 43.82 3df3 h LEU 198 CO -0.01 0.55 -0.10 0.16 0.09 0.00 0.00 178.44 179.13 3df3 h ILE 199 N 0.89 1.30 0.00 1.22 -0.00 -0.57 -0.44 117.51 119.91 3df3 h ILE 199 Ca 0.24 -1.16 0.00 0.00 -0.00 0.00 0.00 64.86 63.94 3df3 h ILE 199 Cb -0.10 1.53 0.00 0.00 -0.00 0.00 0.00 36.82 38.25 3df3 h ILE 199 CO -0.05 0.36 0.23 -0.37 -0.00 0.00 0.00 178.15 178.32 3df3 h VAL 200 N 0.24 0.00 0.11 0.16 -1.51 -1.54 0.48 116.25 114.19 3df3 h VAL 200 Ca 0.06 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 65.20 3df3 h VAL 200 Cb 0.60 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 3df3 h VAL 200 CO 0.03 0.00 -1.78 -0.33 -1.23 0.00 0.00 177.57 174.27 3df3 h GLU 201 N 0.00 0.24 -0.77 5.19 5.08 -1.26 -3.36 114.58 119.70 3df3 h GLU 201 Ca 0.00 -0.40 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 3df3 h GLU 201 Cb 0.47 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3df3 h GLU 201 CO 0.00 1.19 0.47 1.25 -1.00 0.00 0.00 179.01 180.92 3df3 h LEU 202 N -0.15 0.75 -2.62 1.33 5.85 0.14 -1.31 115.31 119.30 3df3 h LEU 202 Ca -0.39 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3df3 h LEU 202 Cb 1.89 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 3df3 h LEU 202 CO 0.05 0.50 0.01 -1.22 -0.34 0.00 0.00 178.44 177.43 3df3 n TYR 203 N -4.66 0.02 -1.80 1.25 0.53 0.88 -2.63 117.16 110.76 3df3 n TYR 203 Ca 0.10 -0.82 0.00 0.00 -1.02 0.00 0.00 57.90 56.16 3df3 n TYR 203 Cb 0.14 -0.41 0.00 0.00 -1.03 0.00 0.00 39.34 38.04 3df3 n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3df3 n SER 204 N 1.10 0.00 -0.56 7.72 7.64 -0.50 -5.01 113.62 124.01 3df3 n SER 204 Ca 0.00 -1.41 0.07 0.00 1.01 0.00 0.00 58.87 58.54 3df3 n SER 204 Cb 0.50 -0.08 0.06 0.00 -1.01 0.00 0.00 64.21 63.68 3df3 n SER 204 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20