#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe3 h HIS 4 N 0.00 1.14 -0.40 0.00 -0.00 -2.05 -1.51 115.15 112.33 2fe3 h HIS 4 Ca 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2fe3 h HIS 4 Cb 0.00 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.01 2fe3 h HIS 4 CO 0.00 0.78 0.24 0.93 -0.00 0.00 0.00 177.93 179.87 2fe3 h GLU 5 N 1.18 0.47 0.15 5.12 5.08 -2.01 -1.05 114.58 123.52 2fe3 h GLU 5 Ca 0.30 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2fe3 h GLU 5 Cb -0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2fe3 h GLU 5 CO -0.05 0.31 -0.07 1.25 -1.00 0.00 0.00 179.01 179.44 2fe3 h LEU 6 N 0.48 -0.17 -0.71 1.33 5.85 -1.86 -2.20 115.31 118.03 2fe3 h LEU 6 Ca 0.16 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.95 2fe3 h LEU 6 Cb 0.00 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.97 2fe3 h LEU 6 CO -0.07 -0.03 0.16 0.11 -0.34 0.00 0.00 178.44 178.27 2fe3 h LYS 7 N -0.31 0.25 -0.50 1.25 1.57 -1.09 0.14 116.57 117.89 2fe3 h LYS 7 Ca -0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2fe3 h LYS 7 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2fe3 h LYS 7 CO 0.03 0.17 0.10 0.93 -0.57 0.00 0.00 179.45 180.12 2fe3 h GLU 8 N 0.26 0.78 -0.48 3.15 5.08 -1.06 -1.02 114.58 121.29 2fe3 h GLU 8 Ca 0.40 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2fe3 h GLU 8 Cb 0.66 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2fe3 h GLU 8 CO -0.50 0.71 -0.22 0.00 -1.00 0.00 0.00 179.01 178.01 2fe3 h ALA 9 N 1.37 0.68 -0.51 3.43 0.00 -0.54 -2.18 119.26 121.50 2fe3 h ALA 9 Ca 0.16 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2fe3 h ALA 9 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fe3 h ALA 9 CO 0.00 0.67 0.05 -0.07 0.00 0.00 0.00 179.25 179.91 2fe3 h LEU 10 N 0.86 0.77 -0.70 0.00 3.38 -0.72 -1.96 115.31 116.94 2fe3 h LEU 10 Ca 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2fe3 h LEU 10 Cb 0.81 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2fe3 h LEU 10 CO 0.07 0.81 0.37 -0.33 0.09 0.00 0.00 178.44 179.44 2fe3 h GLU 11 N 0.77 0.98 -0.32 1.13 5.08 -0.96 -0.95 114.58 120.32 2fe3 h GLU 11 Ca 0.16 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2fe3 h GLU 11 Cb 0.39 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2fe3 h GLU 11 CO 0.01 0.75 0.20 1.15 -1.00 0.00 0.00 179.01 180.12 2fe3 h THR 12 N 0.96 1.09 -0.25 1.13 2.02 -1.01 -0.52 112.91 116.34 2fe3 h THR 12 Ca 0.24 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.26 2fe3 h THR 12 Cb 0.06 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2fe3 h THR 12 CO -0.04 0.09 0.05 -0.07 0.37 0.00 0.00 175.52 175.93 2fe3 h LEU 13 N 0.42 0.02 -0.68 2.58 3.38 -1.17 -0.97 115.31 118.88 2fe3 h LEU 13 Ca 0.11 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2fe3 h LEU 13 Cb -0.02 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2fe3 h LEU 13 CO -0.02 0.04 0.42 0.50 0.09 0.00 0.00 178.44 179.47 2fe3 h LYS 14 N 0.15 0.92 0.00 1.13 1.63 -0.85 0.08 116.57 119.63 2fe3 h LYS 14 Ca 0.12 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.76 2fe3 h LYS 14 Cb 0.11 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2fe3 h LYS 14 CO -0.15 0.65 -0.36 0.93 -3.45 0.00 0.00 179.45 177.07 2fe3 h GLU 15 N 0.93 0.00 -0.53 1.90 5.08 -0.73 -2.77 114.58 118.45 2fe3 h GLU 15 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2fe3 h GLU 15 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2fe3 h GLU 15 CO -0.05 0.36 0.00 0.25 -1.00 0.00 0.00 179.01 178.57 2fe3 n THR 16 N -3.59 0.70 -1.00 1.13 -2.24 -0.40 -4.95 114.28 103.93 2fe3 n THR 16 Ca -0.01 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2fe3 n THR 16 Cb 0.48 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2fe3 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fe3 n GLY 17 N 1.55 0.42 3.69 3.38 0.00 -0.84 -5.02 105.19 108.38 2fe3 n GLY 17 Ca 0.21 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2fe3 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fe3 s VAL 18 N -2.00 5.01 0.26 1.61 1.01 -0.05 -5.02 120.40 121.23 2fe3 s VAL 18 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 2fe3 s VAL 18 Cb 0.00 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2fe3 s VAL 18 CO 0.00 0.17 1.48 -0.60 0.00 0.00 0.00 175.10 176.15 2fe3 s ARG 19 N 1.35 4.23 -1.13 2.72 3.52 -1.26 -4.28 118.95 124.11 2fe3 s ARG 19 Ca 0.35 2.37 -0.13 0.00 -0.13 0.00 0.00 55.73 58.19 2fe3 s ARG 19 Cb -0.17 -3.09 0.19 0.00 -1.56 0.00 0.00 34.95 30.33 2fe3 s ARG 19 CO 0.15 -0.47 1.28 0.42 -0.81 0.00 0.00 175.30 175.86 2fe3 s ILE 20 N -0.02 5.26 0.55 4.11 1.01 -1.26 -4.96 121.20 125.88 2fe3 s ILE 20 Ca 0.60 -2.68 -0.13 0.00 0.00 0.00 0.00 60.65 58.44 2fe3 s ILE 20 Cb -0.43 -4.80 -0.06 0.00 0.01 0.00 0.00 42.46 37.18 2fe3 s ILE 20 CO 0.45 -1.47 0.97 0.42 0.00 0.00 0.00 174.94 175.31 2fe3 s THR 21 N 0.97 4.65 0.23 2.92 -4.23 -1.26 -4.88 115.64 114.04 2fe3 s THR 21 Ca 0.37 0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 61.75 2fe3 s THR 21 Cb -0.05 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.24 2fe3 s THR 21 CO -0.04 -0.88 1.65 -0.65 -0.54 0.00 0.00 174.62 174.16 2fe3 h PRO 22 N 0.39 0.10 -0.40 3.99 0.11 -1.99 -0.95 132.00 133.25 2fe3 h PRO 22 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2fe3 h PRO 22 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2fe3 h PRO 22 CO 0.62 0.06 0.25 0.37 -0.21 0.00 0.00 178.00 179.10 2fe3 h GLN 23 N 0.10 0.53 -0.66 1.05 4.15 -1.99 -0.55 115.11 117.74 2fe3 h GLN 23 Ca 0.36 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.76 2fe3 h GLN 23 Cb 0.61 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 2fe3 h GLN 23 CO -0.61 0.37 0.43 0.00 -1.93 0.00 0.00 178.83 177.10 2fe3 h ARG 24 N 0.53 0.85 -0.25 1.69 3.08 -1.83 -0.94 114.38 117.52 2fe3 h ARG 24 Ca 0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2fe3 h ARG 24 Cb -0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2fe3 h ARG 24 CO -0.03 0.56 0.16 1.25 -1.07 0.00 0.00 179.97 180.84 2fe3 h HIS 25 N 0.88 0.32 -0.68 3.04 2.76 -0.86 -1.16 115.15 119.44 2fe3 h HIS 25 Ca 0.25 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2fe3 h HIS 25 Cb -0.08 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 2fe3 h HIS 25 CO -0.03 0.22 0.27 0.00 -1.30 0.00 0.00 177.93 177.09 2fe3 h ALA 26 N 1.07 1.20 -0.25 5.26 0.00 -0.80 0.25 119.26 125.99 2fe3 h ALA 26 Ca 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2fe3 h ALA 26 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2fe3 h ALA 26 CO -0.02 0.58 -0.09 0.82 0.00 0.00 0.00 179.25 180.55 2fe3 h ILE 27 N 0.98 1.29 -0.70 0.00 2.04 -0.95 -1.38 117.51 118.78 2fe3 h ILE 27 Ca 0.23 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2fe3 h ILE 27 Cb 0.19 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2fe3 h ILE 27 CO -0.02 0.35 0.46 -0.07 0.00 0.00 0.00 178.15 178.87 2fe3 h LEU 28 N 0.23 0.81 -0.65 1.44 3.38 -0.92 -0.58 115.31 119.02 2fe3 h LEU 28 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2fe3 h LEU 28 Cb 0.57 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2fe3 h LEU 28 CO 0.03 0.60 0.36 -0.08 0.09 0.00 0.00 178.44 179.44 2fe3 h GLU 29 N 0.95 0.90 -0.28 1.13 4.81 -0.90 -0.05 114.58 121.14 2fe3 h GLU 29 Ca 0.26 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2fe3 h GLU 29 Cb -0.09 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 2fe3 h GLU 29 CO -0.05 0.68 0.15 -0.92 -0.73 0.00 0.00 179.01 178.13 2fe3 h TYR 30 N 0.89 0.27 -0.66 0.92 3.20 -0.83 -1.88 116.97 118.87 2fe3 h TYR 30 Ca 0.23 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2fe3 h TYR 30 Cb 0.04 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2fe3 h TYR 30 CO -0.01 0.15 0.29 -0.07 -1.64 0.00 0.00 178.16 176.88 2fe3 h LEU 31 N 0.31 0.89 -1.08 2.82 3.38 -0.63 -1.49 115.31 119.51 2fe3 h LEU 31 Ca 0.11 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2fe3 h LEU 31 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2fe3 h LEU 31 CO -0.07 0.80 0.12 0.58 0.09 0.00 0.00 178.44 179.96 2fe3 h VAL 32 N 0.93 1.22 -0.00 1.22 2.07 -0.88 -2.74 116.25 118.07 2fe3 h VAL 32 Ca 0.22 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2fe3 h VAL 32 Cb 0.17 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2fe3 h VAL 32 CO -0.02 0.29 -0.20 0.59 0.02 0.00 0.00 177.57 178.25 2fe3 n ASN 33 N -4.28 0.38 -4.76 0.57 5.03 -0.72 -4.92 115.26 106.56 2fe3 n ASN 33 Ca 0.04 -0.21 -0.40 0.00 0.87 0.00 0.00 54.58 54.87 2fe3 n ASN 33 Cb 0.22 -0.08 -0.04 0.00 -1.02 0.00 0.00 39.78 38.85 2fe3 n ASN 33 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2fe3 s SER 34 N -2.76 7.19 -0.14 6.41 1.04 -0.59 -4.99 113.70 119.85 2fe3 s SER 34 Ca 0.20 2.29 -0.13 0.00 0.48 0.00 0.00 55.95 58.79 2fe3 s SER 34 Cb 0.19 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 2fe3 s SER 34 CO 0.55 -0.20 0.12 0.24 0.98 0.00 0.00 173.24 174.94 2fe3 h MET 35 N 3.69 0.00 -6.54 4.02 2.86 -1.91 -3.47 114.93 113.57 2fe3 h MET 35 Ca -0.47 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.72 2fe3 h MET 35 Cb 1.21 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.89 2fe3 h MET 35 CO 0.66 0.38 -0.20 0.00 1.06 0.00 0.00 176.91 178.82 2fe3 s ALA 36 N -2.51 4.03 -0.31 6.32 0.00 -1.26 -5.04 121.76 122.99 2fe3 s ALA 36 Ca -0.14 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 2fe3 s ALA 36 Cb 0.01 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2fe3 s ALA 36 CO 0.31 -0.28 1.49 -1.01 0.00 0.00 0.00 175.76 176.27 2fe3 s HIS 37 N -2.41 2.32 0.64 0.00 0.09 -1.26 -4.99 115.29 109.69 2fe3 s HIS 37 Ca 0.49 0.69 -0.13 0.00 -0.00 0.00 0.00 55.06 56.10 2fe3 s HIS 37 Cb -0.10 -4.08 -0.02 0.00 -0.00 0.00 0.00 32.58 28.39 2fe3 s HIS 37 CO 0.35 -2.30 1.05 -1.25 -0.00 0.00 0.00 174.74 172.59 2fe3 s PRO 38 N 4.73 3.19 0.69 8.40 0.04 -1.23 -4.48 135.00 146.34 2fe3 s PRO 38 Ca 0.65 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.63 2fe3 s PRO 38 Cb -0.19 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2fe3 s PRO 38 CO 0.29 -0.91 1.04 0.95 0.04 0.00 0.00 177.00 178.41 2fe3 s THR 39 N -2.81 2.94 0.29 1.26 -4.23 -1.26 -0.66 115.64 111.17 2fe3 s THR 39 Ca 0.60 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 2fe3 s THR 39 Cb -0.14 -3.26 0.24 0.00 1.34 0.00 0.00 72.50 70.68 2fe3 s THR 39 CO 0.47 -0.31 1.94 0.00 -0.54 0.00 0.00 174.62 176.18 2fe3 h ALA 40 N -0.58 1.35 -0.83 3.99 0.00 -1.97 -2.27 119.26 118.95 2fe3 h ALA 40 Ca -0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2fe3 h ALA 40 Cb 1.28 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2fe3 h ALA 40 CO 0.62 0.57 0.50 -0.44 0.00 0.00 0.00 179.25 180.50 2fe3 h ASP 41 N 1.12 0.99 -0.16 0.00 3.32 -1.94 0.11 116.42 119.85 2fe3 h ASP 41 Ca 0.29 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.30 2fe3 h ASP 41 Cb -0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 2fe3 h ASP 41 CO -0.06 0.76 0.01 0.44 -1.72 0.00 0.00 179.24 178.67 2fe3 h ASP 42 N 1.13 -0.03 -0.13 6.45 3.32 -1.84 -0.86 116.42 124.47 2fe3 h ASP 42 Ca 0.30 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 2fe3 h ASP 42 Cb -0.05 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2fe3 h ASP 42 CO -0.06 0.01 0.07 0.40 -1.72 0.00 0.00 179.24 177.94 2fe3 h ILE 43 N 0.07 1.10 -0.10 0.35 2.04 -0.84 -1.43 117.51 118.70 2fe3 h ILE 43 Ca 0.07 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2fe3 h ILE 43 Cb 0.08 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2fe3 h ILE 43 CO -0.11 0.09 -0.18 0.22 0.00 0.00 0.00 178.15 178.18 2fe3 h TYR 44 N 0.10 -0.45 -0.58 1.37 5.03 -0.68 -1.89 116.97 119.86 2fe3 h TYR 44 Ca 0.04 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 2fe3 h TYR 44 Cb 0.09 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 2fe3 h TYR 44 CO -0.04 -0.25 0.18 0.87 -1.32 0.00 0.00 178.16 177.61 2fe3 h LYS 45 N -0.24 0.86 -0.05 1.82 1.79 -1.07 0.14 116.57 119.82 2fe3 h LYS 45 Ca 0.09 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2fe3 h LYS 45 Cb 0.36 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2fe3 h LYS 45 CO -0.24 0.74 -0.13 0.00 -1.08 0.00 0.00 179.45 178.74 2fe3 h ALA 46 N 1.36 1.68 0.00 3.86 0.00 -0.79 -3.33 119.26 122.05 2fe3 h ALA 46 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fe3 h ALA 46 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2fe3 h ALA 46 CO -0.01 0.24 -1.12 1.28 0.00 0.00 0.00 179.25 179.64 2fe3 n LEU 47 N -4.34 0.12 0.03 0.00 4.32 -0.75 -4.68 117.00 111.70 2fe3 n LEU 47 Ca -0.02 -0.14 0.10 0.00 -0.02 0.00 0.00 56.01 55.93 2fe3 n LEU 47 Cb 0.23 0.00 0.54 0.00 -1.62 0.00 0.00 43.42 42.57 2fe3 n LEU 47 CO 0.36 0.03 1.15 1.05 -1.22 0.00 0.00 177.39 178.77 2fe3 h GLU 48 N 0.00 0.29 -0.72 3.23 -0.00 -0.84 -0.12 114.58 116.42 2fe3 h GLU 48 Ca 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.36 2fe3 h GLU 48 Cb 0.35 -0.06 -0.04 0.00 -0.00 0.00 0.00 28.75 28.99 2fe3 h GLU 48 CO 0.00 0.19 0.48 0.78 -0.00 0.00 0.00 179.01 180.45 2fe3 h GLY 49 N 0.29 1.00 1.72 1.06 0.00 -1.83 -2.78 103.07 102.54 2fe3 h GLY 49 Ca 0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2fe3 h GLY 49 CO -0.04 0.34 -0.48 1.70 0.00 0.00 0.00 176.54 178.06 2fe3 h LYS 50 N 0.93 0.00 -4.06 4.80 3.64 -1.35 -3.46 116.57 117.08 2fe3 h LYS 50 Ca 0.27 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 59.12 2fe3 h LYS 50 Cb -0.04 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 31.40 2fe3 h LYS 50 CO -0.07 0.18 -0.79 -0.06 -2.27 0.00 0.00 179.45 176.45 2fe3 s PHE 51 N -3.13 1.53 0.15 1.91 0.08 -1.05 -5.02 117.98 112.45 2fe3 s PHE 51 Ca 0.04 -0.97 -0.00 0.00 0.12 0.00 0.00 56.93 56.12 2fe3 s PHE 51 Cb 0.07 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2fe3 s PHE 51 CO 0.73 -0.59 1.35 -1.35 -0.10 0.00 0.00 175.22 175.26 2fe3 h PRO 52 N 8.15 0.28 -0.22 0.24 0.11 -1.89 -3.13 132.00 135.54 2fe3 h PRO 52 Ca -0.23 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2fe3 h PRO 52 Cb 1.11 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2fe3 h PRO 52 CO 0.38 1.01 0.00 0.09 -0.21 0.00 0.00 178.00 179.27 2fe3 n ASN 53 N -3.70 1.41 -4.70 -2.05 3.02 -1.26 -4.89 115.26 103.10 2fe3 n ASN 53 Ca -0.05 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 2fe3 n ASN 53 Cb 0.81 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.80 2fe3 n ASN 53 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2fe3 s MET 54 N -1.71 4.47 0.34 3.52 1.75 -1.19 -4.95 119.30 121.52 2fe3 s MET 54 Ca 0.24 1.20 0.06 0.00 -1.25 0.00 0.00 55.69 55.94 2fe3 s MET 54 Cb 0.12 -3.49 -0.07 0.00 2.84 0.00 0.00 34.83 34.24 2fe3 s MET 54 CO 0.18 -0.10 -0.00 -1.54 -0.65 0.00 0.00 175.02 172.91 2fe3 s SER 55 N 0.99 3.01 0.36 1.11 1.04 -1.26 -5.00 113.70 113.94 2fe3 s SER 55 Ca 0.45 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.63 2fe3 s SER 55 Cb -0.19 -0.22 0.74 0.00 0.10 0.00 0.00 66.02 66.45 2fe3 s SER 55 CO 0.21 -0.46 1.96 0.58 0.98 0.00 0.00 173.24 176.52 2fe3 h VAL 56 N 2.06 1.02 -0.55 5.02 2.07 -1.96 -2.04 116.25 121.87 2fe3 h VAL 56 Ca -0.42 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 66.88 2fe3 h VAL 56 Cb 1.24 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2fe3 h VAL 56 CO 0.72 0.14 0.31 0.00 0.02 0.00 0.00 177.57 178.76 2fe3 h ALA 57 N 1.61 0.71 -0.20 1.67 0.00 -1.99 -1.44 119.26 119.61 2fe3 h ALA 57 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2fe3 h ALA 57 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2fe3 h ALA 57 CO -0.10 0.01 -0.37 1.79 0.00 0.00 0.00 179.25 180.57 2fe3 h THR 58 N 0.61 1.29 0.10 0.00 1.35 -1.76 0.13 112.91 114.64 2fe3 h THR 58 Ca 0.23 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 2fe3 h THR 58 Cb 0.08 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2fe3 h THR 58 CO -0.13 0.46 -0.09 0.58 -0.25 0.00 0.00 175.52 176.09 2fe3 h VAL 59 N 0.37 0.80 -0.83 6.82 2.07 -1.07 -1.02 116.25 123.39 2fe3 h VAL 59 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2fe3 h VAL 59 Cb 0.82 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2fe3 h VAL 59 CO 0.07 0.00 0.55 1.88 0.02 0.00 0.00 177.57 180.08 2fe3 h TYR 60 N -0.21 1.03 -0.64 1.57 -1.99 -0.83 -0.86 116.97 115.04 2fe3 h TYR 60 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2fe3 h TYR 60 Cb 0.19 -0.35 -0.03 0.00 2.00 0.00 0.00 36.73 38.54 2fe3 h TYR 60 CO -0.11 0.64 0.42 -0.91 -0.00 0.00 0.00 178.16 178.20 2fe3 h ASN 61 N 1.10 0.75 -0.40 3.88 -0.26 -0.58 -0.97 115.58 119.10 2fe3 h ASN 61 Ca 0.31 -0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.92 2fe3 h ASN 61 Cb -0.10 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 36.95 2fe3 h ASN 61 CO -0.08 0.55 -0.11 0.78 -1.06 0.00 0.00 177.43 177.52 2fe3 h ASN 62 N 0.87 0.84 -0.71 5.81 -0.26 -0.84 -2.17 115.58 119.13 2fe3 h ASN 62 Ca 0.23 -0.26 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 2fe3 h ASN 62 Cb -0.09 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.91 2fe3 h ASN 62 CO -0.05 0.97 0.37 -0.07 -1.06 0.00 0.00 177.43 177.59 2fe3 h LEU 63 N 0.77 0.92 -0.42 1.61 3.38 -0.74 -0.31 115.31 120.51 2fe3 h LEU 63 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2fe3 h LEU 63 Cb 0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2fe3 h LEU 63 CO 0.04 0.76 0.23 -0.09 0.09 0.00 0.00 178.44 179.47 2fe3 h ARG 64 N 1.02 0.59 -0.34 1.13 2.43 -0.86 0.72 114.38 119.08 2fe3 h ARG 64 Ca 0.25 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2fe3 h ARG 64 Cb 0.07 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2fe3 h ARG 64 CO -0.04 0.48 0.10 0.28 -1.51 0.00 0.00 179.97 179.29 2fe3 h VAL 65 N 0.55 0.89 -0.33 0.20 2.07 -0.91 -0.55 116.25 118.16 2fe3 h VAL 65 Ca 0.15 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2fe3 h VAL 65 Cb 0.06 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2fe3 h VAL 65 CO -0.02 0.04 -0.07 -0.26 0.02 0.00 0.00 177.57 177.28 2fe3 h PHE 66 N 0.24 0.58 -0.42 1.57 0.04 -0.76 -1.73 116.94 116.46 2fe3 h PHE 66 Ca 0.15 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 2fe3 h PHE 66 Cb 0.14 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2fe3 h PHE 66 CO -0.15 0.61 0.08 -0.09 -0.60 0.00 0.00 178.31 178.16 2fe3 h ARG 67 N 0.51 0.69 -0.36 1.51 2.43 -0.34 0.11 114.38 118.93 2fe3 h ARG 67 Ca 0.10 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2fe3 h ARG 67 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2fe3 h ARG 67 CO 0.02 0.72 0.15 0.93 -1.51 0.00 0.00 179.97 180.28 2fe3 h GLU 68 N 0.55 0.50 -0.00 0.20 5.08 -0.87 -1.77 114.58 118.28 2fe3 h GLU 68 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2fe3 h GLU 68 Cb 0.35 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2fe3 h GLU 68 CO 0.01 0.42 -0.02 0.43 -1.00 0.00 0.00 179.01 178.84 2fe3 n SER 69 N -4.40 0.20 -0.05 1.42 7.64 -0.67 -4.91 113.62 112.85 2fe3 n SER 69 Ca 0.02 -0.73 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 2fe3 n SER 69 Cb 0.13 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2fe3 n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fe3 n GLY 70 N 1.14 0.47 0.10 0.23 0.00 -0.66 -4.94 105.19 101.54 2fe3 n GLY 70 Ca 0.19 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.82 2fe3 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe3 n LEU 71 N -0.07 0.80 -3.86 0.99 4.77 0.33 -4.74 117.00 115.21 2fe3 n LEU 71 Ca -0.01 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2fe3 n LEU 71 Cb 0.04 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 2fe3 n LEU 71 CO 0.01 -0.16 -0.27 -0.69 -1.33 0.00 0.00 177.39 174.94 2fe3 s VAL 72 N -3.35 0.02 0.02 4.08 1.01 -1.18 -0.90 120.40 120.09 2fe3 s VAL 72 Ca -0.00 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2fe3 s VAL 72 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 2fe3 s VAL 72 CO 0.79 -0.07 -0.19 -0.54 0.00 0.00 0.00 175.10 175.09 2fe3 s LYS 73 N -0.19 2.13 -0.20 2.72 1.02 0.19 -4.15 119.74 121.25 2fe3 s LYS 73 Ca -0.02 -0.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 2fe3 s LYS 73 Cb -0.02 -2.19 -0.05 0.00 -0.52 0.00 0.00 37.83 35.05 2fe3 s LYS 73 CO 0.00 0.55 0.25 -2.00 -0.92 0.00 0.00 175.35 173.23 2fe3 s GLU 74 N -1.22 4.16 -0.40 1.68 2.12 -1.26 -1.01 118.70 122.77 2fe3 s GLU 74 Ca 0.13 -0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.29 2fe3 s GLU 74 Cb -0.10 -3.49 0.04 0.00 0.26 0.00 0.00 34.13 30.83 2fe3 s GLU 74 CO 0.04 0.12 0.26 -0.51 -0.54 0.00 0.00 175.26 174.62 2fe3 s LEU 75 N 0.87 4.99 0.27 2.70 1.43 0.10 -4.98 118.68 124.06 2fe3 s LEU 75 Ca 0.13 -1.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2fe3 s LEU 75 Cb -0.13 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 2fe3 s LEU 75 CO 0.04 -0.46 0.55 0.42 0.23 0.00 0.00 176.35 177.13 2fe3 s THR 76 N 1.57 5.01 -0.10 5.49 -4.23 -1.26 -0.90 115.64 121.22 2fe3 s THR 76 Ca 0.03 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 2fe3 s THR 76 Cb -0.20 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 69.98 2fe3 s THR 76 CO 0.07 -0.25 0.23 -0.47 -0.54 0.00 0.00 174.62 173.66 2fe3 s TYR 77 N -2.01 -0.31 -0.13 3.99 5.04 -1.26 -4.98 117.35 117.70 2fe3 s TYR 77 Ca 0.45 0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 55.70 2fe3 s TYR 77 Cb -0.11 0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.18 2fe3 s TYR 77 CO 0.28 -0.23 0.50 0.41 -1.34 0.00 0.00 175.55 175.17 2fe3 n GLY 78 N 4.25 -0.01 4.95 8.97 0.00 -1.26 -0.42 105.19 121.66 2fe3 n GLY 78 Ca -0.25 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2fe3 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fe3 n ASP 79 N 1.62 0.00 -4.58 1.61 8.00 -1.26 -4.92 116.55 117.01 2fe3 n ASP 79 Ca 0.12 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.30 2fe3 n ASP 79 Cb -0.01 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.23 2fe3 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe3 n ALA 80 N 0.00 -1.30 -1.77 2.24 0.00 0.43 -4.95 120.51 115.17 2fe3 n ALA 80 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 2fe3 n ALA 80 Cb 0.00 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 17.38 2fe3 n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2fe3 s SER 81 N -2.31 6.32 0.68 0.00 0.01 -1.26 -4.35 113.70 112.78 2fe3 s SER 81 Ca 0.65 3.05 -0.13 0.00 1.31 0.00 0.00 55.95 60.83 2fe3 s SER 81 Cb -0.24 -2.66 0.01 0.00 0.21 0.00 0.00 66.02 63.34 2fe3 s SER 81 CO 0.60 -0.90 1.08 -0.44 0.41 0.00 0.00 173.24 173.99 2fe3 s SER 82 N 0.01 5.21 0.32 2.44 0.01 -1.26 -4.60 113.70 115.82 2fe3 s SER 82 Ca 0.55 1.81 0.09 0.00 1.31 0.00 0.00 55.95 59.72 2fe3 s SER 82 Cb -0.47 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.18 2fe3 s SER 82 CO 0.61 -1.56 -0.01 -0.13 0.41 0.00 0.00 173.24 172.55 2fe3 s ARG 83 N -4.52 2.06 -0.03 12.44 0.52 -0.08 -4.25 118.95 125.10 2fe3 s ARG 83 Ca 0.62 -1.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 2fe3 s ARG 83 Cb -0.17 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.36 2fe3 s ARG 83 CO 0.47 0.19 -0.10 -0.06 0.02 0.00 0.00 175.30 175.82 2fe3 s PHE 84 N -2.49 1.10 -0.14 -0.53 0.40 0.17 0.03 117.98 116.52 2fe3 s PHE 84 Ca 0.34 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 2fe3 s PHE 84 Cb -0.01 -0.79 0.01 0.00 0.51 0.00 0.00 43.02 42.74 2fe3 s PHE 84 CO 0.19 -0.14 -0.21 0.34 0.70 0.00 0.00 175.22 176.10 2fe3 s ASP 85 N 0.29 3.02 0.14 1.36 2.15 -0.18 -3.47 116.67 119.99 2fe3 s ASP 85 Ca -0.05 -0.59 -0.30 0.00 0.43 0.00 0.00 52.55 52.04 2fe3 s ASP 85 Cb -0.10 -1.40 -0.07 0.00 -0.30 0.00 0.00 42.92 41.05 2fe3 s ASP 85 CO 0.01 0.06 1.10 0.12 -0.17 0.00 0.00 175.17 176.30 2fe3 s PHE 86 N 0.90 3.58 -0.21 -5.34 5.36 -1.26 -0.64 117.98 120.37 2fe3 s PHE 86 Ca -0.06 1.56 -0.11 0.00 -0.96 0.00 0.00 56.93 57.37 2fe3 s PHE 86 Cb -0.15 -3.28 -0.05 0.00 -0.34 0.00 0.00 43.02 39.20 2fe3 s PHE 86 CO -0.03 -0.66 0.16 0.08 -1.46 0.00 0.00 175.22 173.31 2fe3 s VAL 87 N 0.06 5.38 -0.13 3.12 1.01 -0.08 -4.92 120.40 124.85 2fe3 s VAL 87 Ca 0.51 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 2fe3 s VAL 87 Cb -0.29 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2fe3 s VAL 87 CO 0.33 0.40 0.05 -0.89 0.00 0.00 0.00 175.10 174.99 2fe3 s THR 88 N 0.59 4.68 0.50 3.92 2.01 -1.26 -4.89 115.64 121.18 2fe3 s THR 88 Ca 0.09 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2fe3 s THR 88 Cb -0.12 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 2fe3 s THR 88 CO 0.01 0.55 1.14 -0.94 -0.69 0.00 0.00 174.62 174.68 2fe3 s SER 89 N -0.38 6.00 0.55 3.53 1.04 -1.26 -4.71 113.70 118.46 2fe3 s SER 89 Ca 0.09 2.21 -0.08 0.00 0.48 0.00 0.00 55.95 58.65 2fe3 s SER 89 Cb -0.12 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2fe3 s SER 89 CO 0.02 -1.03 0.91 -1.81 0.98 0.00 0.00 173.24 172.31 2fe3 s ASP 90 N -1.59 6.23 -0.00 7.02 1.01 -1.26 -4.63 116.67 123.44 2fe3 s ASP 90 Ca 0.68 1.17 0.01 0.00 0.71 0.00 0.00 52.55 55.12 2fe3 s ASP 90 Cb -0.25 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 2fe3 s ASP 90 CO 0.30 -0.74 -0.04 -1.00 0.21 0.00 0.00 175.17 173.89 2fe3 s HIS 91 N -2.97 0.40 -0.09 4.23 3.76 -0.63 -5.00 115.29 115.00 2fe3 s HIS 91 Ca 0.51 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.34 2fe3 s HIS 91 Cb -0.11 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 33.34 2fe3 s HIS 91 CO 0.50 -0.01 -0.12 0.71 -0.85 0.00 0.00 174.74 174.97 2fe3 s TYR 92 N -0.19 1.56 -0.01 1.40 2.02 -1.26 -1.09 117.35 119.77 2fe3 s TYR 92 Ca 0.01 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 2fe3 s TYR 92 Cb -0.02 -1.18 -0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2fe3 s TYR 92 CO -0.00 -0.38 -0.08 -1.01 -1.57 0.00 0.00 175.55 172.52 2fe3 s HIS 93 N 0.99 0.75 -0.16 2.71 3.76 -0.41 -1.51 115.29 121.42 2fe3 s HIS 93 Ca -0.08 -0.16 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 2fe3 s HIS 93 Cb -0.15 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 2fe3 s HIS 93 CO -0.00 -0.05 0.08 0.00 -0.85 0.00 0.00 174.74 173.91 2fe3 s ALA 94 N 0.04 3.52 -0.11 -1.40 0.00 0.50 -0.38 121.76 123.93 2fe3 s ALA 94 Ca -0.00 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2fe3 s ALA 94 Cb -0.06 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.18 2fe3 s ALA 94 CO -0.00 0.31 -0.13 0.42 0.00 0.00 0.00 175.76 176.37 2fe3 s ILE 95 N -0.06 1.31 -0.19 0.00 1.01 0.86 -0.53 121.20 123.60 2fe3 s ILE 95 Ca 0.07 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 2fe3 s ILE 95 Cb -0.12 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 2fe3 s ILE 95 CO 0.01 0.41 0.89 0.00 0.00 0.00 0.00 174.94 176.24 2fe3 h GLU 97 N 7.41 0.00 0.06 0.00 5.08 -0.86 -0.55 114.58 125.71 2fe3 h GLU 97 Ca -0.26 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.74 2fe3 h GLU 97 Cb 1.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 2fe3 h GLU 97 CO 0.87 0.00 -2.04 -1.71 -1.00 0.00 0.00 179.01 175.13 2fe3 n ASN 98 N -2.58 2.02 -0.00 1.42 2.85 -1.26 -4.69 115.26 113.02 2fe3 n ASN 98 Ca 0.03 0.18 0.02 0.00 -0.11 0.00 0.00 54.58 54.69 2fe3 n ASN 98 Cb 0.32 -0.77 -0.02 0.00 1.24 0.00 0.00 39.78 40.55 2fe3 n ASN 98 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2fe3 n GLY 100 N 1.08 0.78 3.70 0.00 0.00 -0.22 -5.02 105.19 105.51 2fe3 n GLY 100 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2fe3 n GLY 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2fe3 n LYS 101 N -2.12 2.43 -4.86 1.61 4.81 -1.26 -4.63 118.16 114.15 2fe3 n LYS 101 Ca 0.00 0.87 -0.33 0.00 -0.87 0.00 0.00 58.31 57.99 2fe3 n LYS 101 Cb 0.00 -2.64 -0.15 0.00 0.02 0.00 0.00 35.03 32.26 2fe3 n LYS 101 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2fe3 s ILE 102 N 0.53 2.71 -0.16 3.15 1.01 -1.26 -0.26 121.20 126.92 2fe3 s ILE 102 Ca 0.72 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2fe3 s ILE 102 Cb -0.58 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 39.80 2fe3 s ILE 102 CO 0.42 0.53 -0.19 -0.69 0.00 0.00 0.00 174.94 175.01 2fe3 s VAL 103 N 0.43 1.90 0.34 2.92 1.01 0.31 -4.97 120.40 122.33 2fe3 s VAL 103 Ca -0.12 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 2fe3 s VAL 103 Cb -0.16 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.39 2fe3 s VAL 103 CO 0.06 0.52 0.96 -1.81 0.00 0.00 0.00 175.10 174.82 2fe3 s ASP 104 N 1.22 7.26 0.15 3.32 1.01 -1.26 -0.37 116.67 128.00 2fe3 s ASP 104 Ca 0.02 1.86 -0.00 0.00 0.71 0.00 0.00 52.55 55.13 2fe3 s ASP 104 Cb -0.14 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 2fe3 s ASP 104 CO -0.09 -0.13 0.05 0.72 0.21 0.00 0.00 175.17 175.93 2fe3 s PHE 105 N -1.65 1.01 -0.11 4.23 -0.12 -0.57 -4.93 117.98 115.84 2fe3 s PHE 105 Ca 0.52 -1.18 -0.05 0.00 -0.05 0.00 0.00 56.93 56.16 2fe3 s PHE 105 Cb -0.19 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 2fe3 s PHE 105 CO 0.24 -0.43 0.09 -1.58 -0.05 0.00 0.00 175.22 173.48 2fe3 s HIS 106 N -3.93 3.43 -0.02 3.49 5.65 -1.26 -4.18 115.29 118.46 2fe3 s HIS 106 Ca 0.26 0.39 -0.05 0.00 0.25 0.00 0.00 55.06 55.91 2fe3 s HIS 106 Cb 0.07 -1.90 0.01 0.00 -1.18 0.00 0.00 32.58 29.58 2fe3 s HIS 106 CO 0.04 0.60 0.11 -0.47 -0.65 0.00 0.00 174.74 174.37 2fe3 s TYR 107 N -0.87 -0.04 -1.60 3.88 5.04 -1.26 -5.08 117.35 117.42 2fe3 s TYR 107 Ca 0.14 0.10 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 2fe3 s TYR 107 Cb -0.12 -0.01 -0.07 0.00 0.35 0.00 0.00 41.96 42.12 2fe3 s TYR 107 CO 0.03 -0.14 2.86 -0.35 -1.34 0.00 0.00 175.55 176.60 2fe3 n PRO 108 N 2.40 3.65 0.00 4.97 -0.04 -1.26 -4.92 135.00 139.80 2fe3 n PRO 108 Ca -0.17 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2fe3 n PRO 108 Cb 0.58 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 2fe3 n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fe3 n GLY 109 N 3.56 -1.86 2.55 0.55 0.00 -1.26 -4.80 105.19 103.93 2fe3 n GLY 109 Ca 0.75 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2fe3 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe3 n LEU 110 N -2.19 2.55 -0.23 0.99 4.77 -1.26 -4.97 117.00 116.66 2fe3 n LEU 110 Ca 0.00 -4.65 0.01 0.00 -0.03 0.00 0.00 56.01 51.34 2fe3 n LEU 110 Cb 0.00 0.13 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 2fe3 n LEU 110 CO 0.00 2.00 1.04 -2.24 -1.33 0.00 0.00 177.39 176.86 2fe3 h ASP 111 N 2.89 0.39 -0.58 -1.43 2.03 -1.99 -0.42 116.42 117.32 2fe3 h ASP 111 Ca 0.08 0.06 -0.03 0.00 -0.73 0.00 0.00 57.03 56.41 2fe3 h ASP 111 Cb 0.97 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.45 2fe3 h ASP 111 CO 0.63 0.23 0.25 -0.08 -1.03 0.00 0.00 179.24 179.24 2fe3 h GLU 112 N 0.54 0.85 -0.11 4.15 4.81 -1.99 -0.18 114.58 122.65 2fe3 h GLU 112 Ca 0.33 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2fe3 h GLU 112 Cb 0.37 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2fe3 h GLU 112 CO -0.28 0.71 -0.00 0.28 -0.73 0.00 0.00 179.01 178.99 2fe3 h VAL 113 N 0.79 1.26 -0.79 0.32 2.07 -1.83 -1.71 116.25 116.36 2fe3 h VAL 113 Ca 0.20 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.95 2fe3 h VAL 113 Cb 0.16 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2fe3 h VAL 113 CO -0.02 0.23 0.48 -0.33 0.02 0.00 0.00 177.57 177.96 2fe3 h GLU 114 N -0.08 0.87 -0.43 1.57 5.08 -0.97 0.18 114.58 120.79 2fe3 h GLU 114 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2fe3 h GLU 114 Cb 0.36 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2fe3 h GLU 114 CO 0.01 0.57 -0.08 1.96 -1.00 0.00 0.00 179.01 180.47 2fe3 h GLN 115 N 0.89 0.82 -0.30 2.33 4.20 -0.94 -1.06 115.11 121.06 2fe3 h GLN 115 Ca 0.34 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2fe3 h GLN 115 Cb 0.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2fe3 h GLN 115 CO -0.16 0.92 -0.04 1.25 -0.67 0.00 0.00 178.83 180.13 2fe3 h LEU 116 N 0.65 0.55 -0.76 1.46 5.85 -1.02 -2.53 115.31 119.52 2fe3 h LEU 116 Ca 0.11 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.56 2fe3 h LEU 116 Cb 0.60 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2fe3 h LEU 116 CO 0.04 0.76 0.44 0.00 -0.34 0.00 0.00 178.44 179.34 2fe3 h ALA 117 N 0.81 1.04 -0.72 1.25 0.00 -0.49 -0.38 119.26 120.76 2fe3 h ALA 117 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fe3 h ALA 117 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2fe3 h ALA 117 CO 0.02 0.13 0.33 0.00 0.00 0.00 0.00 179.25 179.74 2fe3 h ALA 118 N 1.38 1.23 -0.22 0.00 0.00 -1.10 -0.71 119.26 119.84 2fe3 h ALA 118 Ca 0.34 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2fe3 h ALA 118 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2fe3 h ALA 118 CO -0.19 0.59 -0.11 1.25 0.00 0.00 0.00 179.25 180.79 2fe3 h HIS 119 N 1.03 0.54 0.02 0.00 6.17 -0.74 0.06 115.15 122.23 2fe3 h HIS 119 Ca 0.25 -0.13 -0.21 0.00 0.71 0.00 0.00 60.37 60.98 2fe3 h HIS 119 Cb 0.13 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 29.92 2fe3 h HIS 119 CO 0.01 0.74 -0.95 -0.39 0.71 0.00 0.00 177.93 178.05 2fe3 h VAL 120 N 0.18 1.51 0.00 5.26 -1.51 -0.96 -3.33 116.25 117.40 2fe3 h VAL 120 Ca 0.05 -2.76 -0.00 0.00 -1.23 0.00 0.00 66.70 62.76 2fe3 h VAL 120 Cb 0.60 2.58 -0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2fe3 h VAL 120 CO 0.03 0.80 -1.82 0.35 -1.23 0.00 0.00 177.57 175.71 2fe3 n THR 121 N -3.61 0.12 -1.00 7.19 -2.24 -0.29 -4.99 114.28 109.47 2fe3 n THR 121 Ca -0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2fe3 n THR 121 Cb 0.86 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2fe3 n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fe3 n GLY 122 N 1.25 0.92 3.78 3.38 0.00 0.01 -5.04 105.19 109.48 2fe3 n GLY 122 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2fe3 n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fe3 s PHE 123 N -3.70 3.00 -0.28 1.61 0.40 -1.23 -5.01 117.98 112.78 2fe3 s PHE 123 Ca 0.00 1.58 -0.21 0.00 -0.60 0.00 0.00 56.93 57.70 2fe3 s PHE 123 Cb 0.00 -3.24 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 2fe3 s PHE 123 CO 0.00 -1.13 0.64 0.15 0.70 0.00 0.00 175.22 175.58 2fe3 s LYS 124 N -2.76 4.03 0.02 0.44 1.02 -1.26 -4.50 119.74 116.74 2fe3 s LYS 124 Ca 0.63 0.47 -0.22 0.00 0.02 0.00 0.00 55.97 56.87 2fe3 s LYS 124 Cb -0.24 -3.68 -0.06 0.00 -0.52 0.00 0.00 37.83 33.33 2fe3 s LYS 124 CO 0.30 -0.49 0.64 0.08 -0.92 0.00 0.00 175.35 174.96 2fe3 s VAL 125 N 2.57 4.82 -0.14 3.17 1.01 -1.26 -4.99 120.40 125.58 2fe3 s VAL 125 Ca 0.26 1.36 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 2fe3 s VAL 125 Cb -0.15 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2fe3 s VAL 125 CO 0.10 0.43 -0.28 -0.24 0.00 0.00 0.00 175.10 175.10 2fe3 n SER 126 N 2.58 1.74 -3.30 3.32 2.88 -1.26 -5.13 113.62 114.44 2fe3 n SER 126 Ca -0.06 0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.70 2fe3 n SER 126 Cb 0.51 -0.66 0.01 0.00 -0.75 0.00 0.00 64.21 63.32 2fe3 n SER 126 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2fe3 s HIS 127 N -2.67 0.02 0.07 0.66 -3.43 -1.26 -4.70 115.29 103.98 2fe3 s HIS 127 Ca -0.25 -0.55 -0.03 0.00 -0.80 0.00 0.00 55.06 53.42 2fe3 s HIS 127 Cb 0.05 0.76 -0.03 0.00 -1.43 0.00 0.00 32.58 31.93 2fe3 s HIS 127 CO 0.35 -1.28 0.05 -3.38 -2.00 0.00 0.00 174.74 168.48 2fe3 s HIS 128 N -2.70 0.44 -0.10 0.38 -3.43 -1.26 -5.04 115.29 103.58 2fe3 s HIS 128 Ca 0.16 -0.94 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 2fe3 s HIS 128 Cb -0.04 -0.29 0.02 0.00 -1.43 0.00 0.00 32.58 30.84 2fe3 s HIS 128 CO 0.08 -0.45 -0.09 0.50 -2.00 0.00 0.00 174.74 172.78 2fe3 s ARG 129 N -3.92 1.57 -0.18 -0.38 3.52 -1.26 -1.60 118.95 116.70 2fe3 s ARG 129 Ca 0.08 -0.30 -0.03 0.00 -0.13 0.00 0.00 55.73 55.35 2fe3 s ARG 129 Cb 0.07 -1.52 -0.01 0.00 -1.56 0.00 0.00 34.95 31.93 2fe3 s ARG 129 CO -0.09 -0.17 -0.07 -1.17 -0.81 0.00 0.00 175.30 172.99 2fe3 s LEU 130 N 1.37 2.90 -0.20 -0.88 2.96 -0.25 -4.98 118.68 119.59 2fe3 s LEU 130 Ca -0.01 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2fe3 s LEU 130 Cb -0.14 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2fe3 s LEU 130 CO -0.04 0.06 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.40 2fe3 s GLU 131 N 0.98 3.47 -0.20 1.98 2.02 -1.26 -1.29 118.70 124.40 2fe3 s GLU 131 Ca -0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.34 2fe3 s GLU 131 Cb -0.15 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 2fe3 s GLU 131 CO 0.00 -0.05 0.01 0.42 0.02 0.00 0.00 175.26 175.66 2fe3 s ILE 132 N 1.11 4.01 -0.13 -1.63 1.01 0.49 -5.00 121.20 121.07 2fe3 s ILE 132 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 2fe3 s ILE 132 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2fe3 s ILE 132 CO -0.00 0.43 0.12 -0.31 0.00 0.00 0.00 174.94 175.18 2fe3 s TYR 133 N 0.98 3.51 0.00 3.97 1.51 -1.26 -0.10 117.35 125.97 2fe3 s TYR 133 Ca 0.02 0.45 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 2fe3 s TYR 133 Cb -0.14 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2fe3 s TYR 133 CO 0.02 0.62 0.00 0.41 -1.11 0.00 0.00 175.55 175.49 2fe3 n GLY 134 N 2.29 1.91 3.09 0.71 0.00 -0.57 -4.93 105.19 107.68 2fe3 n GLY 134 Ca -0.19 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2fe3 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fe3 s VAL 135 N -0.80 1.45 0.80 1.61 1.01 -1.26 -0.12 120.40 123.09 2fe3 s VAL 135 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2fe3 s VAL 135 Cb 0.00 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.16 2fe3 s VAL 135 CO 0.00 0.43 1.09 0.00 0.00 0.00 0.00 175.10 176.61 2fe3 h GLN 137 N -1.19 0.19 -0.34 0.00 4.15 -2.00 0.01 115.11 115.93 2fe3 h GLN 137 Ca -0.45 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 2fe3 h GLN 137 Cb 1.24 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2fe3 h GLN 137 CO 0.53 0.13 0.16 0.93 -1.93 0.00 0.00 178.83 178.65 2fe3 h GLU 138 N 0.20 0.49 -0.42 1.69 5.08 -2.00 -1.37 114.58 118.25 2fe3 h GLU 138 Ca 0.27 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2fe3 h GLU 138 Cb 0.40 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2fe3 h GLU 138 CO -0.38 0.46 -0.03 0.00 -1.00 0.00 0.00 179.01 178.06 2fe3 h SER 140 N 0.66 0.78 -0.17 0.00 0.87 -0.59 -1.44 113.55 113.66 2fe3 h SER 140 Ca 0.13 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2fe3 h SER 140 Cb 0.45 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2fe3 h SER 140 CO 0.02 0.89 -0.08 0.50 -0.53 0.00 0.00 176.83 177.63 2fe3 h LYS 141 N 0.73 -0.06 -0.44 2.24 3.64 -1.07 -0.45 116.57 121.17 2fe3 h LYS 141 Ca 0.13 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 2fe3 h LYS 141 Cb 0.55 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2fe3 h LYS 141 CO 0.03 -0.04 -0.11 -0.22 -2.27 0.00 0.00 179.45 176.85 2fe3 h LYS 142 N -0.06 0.79 0.00 1.90 3.64 -1.42 -3.16 116.57 118.27 2fe3 h LYS 142 Ca 0.09 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2fe3 h LYS 142 Cb 0.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2fe3 h LYS 142 CO -0.21 0.87 0.00 0.93 -2.27 0.00 0.00 179.45 178.77 2fe3 h GLU 143 N 0.72 0.00 -2.30 1.90 5.08 -0.98 -3.47 114.58 115.53 2fe3 h GLU 143 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2fe3 h GLU 143 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2fe3 h GLU 143 CO 0.04 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.34 2fe3 n ASN 144 N -2.55 -1.54 0.00 1.42 5.15 -1.03 -5.09 115.26 111.63 2fe3 n ASN 144 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2fe3 n ASN 144 Cb 0.18 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 2fe3 n ASN 144 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07