#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx h ILE 2 N 0.00 0.00 -4.15 0.52 1.08 -1.99 -3.43 117.51 109.54 2fkx h ILE 2 Ca 0.00 -0.47 -0.39 0.00 -0.39 0.00 0.00 64.86 63.61 2fkx h ILE 2 Cb 0.00 0.00 0.13 0.00 -3.07 0.00 0.00 36.82 33.88 2fkx h ILE 2 CO 0.00 0.00 0.29 1.07 -0.69 0.00 0.00 178.15 178.82 2fkx n THR 3 N -3.36 0.00 0.18 -0.27 5.66 -1.26 -4.81 114.28 110.42 2fkx n THR 3 Ca -0.00 -1.04 0.02 0.00 -3.05 0.00 0.00 64.05 59.98 2fkx n THR 3 Cb 0.01 -1.38 0.35 0.00 -1.55 0.00 0.00 70.33 67.77 2fkx n THR 3 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2fkx h LYS 4 N 0.00 0.00 0.00 1.09 2.10 -1.98 0.22 116.57 118.00 2fkx h LYS 4 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2fkx h LYS 4 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2fkx h LYS 4 CO 0.29 0.38 0.00 0.93 -2.00 0.00 0.00 179.45 179.05 2fkx h GLU 5 N 0.00 0.00 0.00 0.07 5.08 -1.99 -0.96 114.58 116.79 2fkx h GLU 5 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2fkx h GLU 5 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2fkx h GLU 5 CO 0.05 0.00 -1.10 0.93 -1.00 0.00 0.00 179.01 177.89 2fkx h GLU 6 N 0.00 0.00 -0.30 2.33 5.08 -1.49 -2.01 114.58 118.19 2fkx h GLU 6 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2fkx h GLU 6 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2fkx h GLU 6 CO 0.00 0.76 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.42 2fkx h LYS 7 N 0.00 0.62 -0.42 2.33 1.63 -0.14 0.82 116.57 121.41 2fkx h LYS 7 Ca -0.08 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2fkx h LYS 7 Cb 1.75 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.33 2fkx h LYS 7 CO 0.10 0.84 0.26 1.96 -3.45 0.00 0.00 179.45 179.16 2fkx h GLN 8 N 0.38 0.56 0.00 1.90 4.20 -1.16 -2.38 115.11 118.61 2fkx h GLN 8 Ca 0.07 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2fkx h GLN 8 Cb 0.64 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2fkx h GLN 8 CO 0.04 0.40 -0.27 0.87 -0.67 0.00 0.00 178.83 179.21 2fkx h LYS 9 N 0.56 0.00 -0.25 1.46 1.57 -1.15 0.17 116.57 118.92 2fkx h LYS 9 Ca 0.15 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 2fkx h LYS 9 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2fkx h LYS 9 CO -0.03 0.27 -0.49 0.28 -0.57 0.00 0.00 179.45 178.90 2fkx h VAL 10 N 0.00 1.29 0.00 0.50 2.07 -0.45 0.02 116.25 119.68 2fkx h VAL 10 Ca -0.00 -1.69 -0.14 0.00 0.82 0.00 0.00 66.70 65.68 2fkx h VAL 10 Cb 0.66 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2fkx h VAL 10 CO 0.03 0.54 -0.67 0.40 0.02 0.00 0.00 177.57 177.89 2fkx h ILE 11 N 0.52 1.46 0.00 4.57 5.03 -1.14 0.11 117.51 128.07 2fkx h ILE 11 Ca 0.01 -2.33 -0.06 0.00 -0.12 0.00 0.00 64.86 62.36 2fkx h ILE 11 Cb 1.10 2.26 -0.01 0.00 -3.03 0.00 0.00 36.82 37.15 2fkx h ILE 11 CO 0.11 0.66 -0.28 -0.61 -0.68 0.00 0.00 178.15 177.35 2fkx h GLN 12 N 0.00 0.00 0.00 2.37 4.15 -0.54 -3.28 115.11 117.82 2fkx h GLN 12 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2fkx h GLN 12 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2fkx h GLN 12 CO 0.09 0.28 0.00 0.39 -1.93 0.00 0.00 178.83 177.66 2fkx n GLU 13 N -3.65 0.00 -3.68 1.69 -0.58 -0.02 -4.97 120.64 109.43 2fkx n GLU 13 Ca -0.01 0.21 -0.09 0.00 -0.42 0.00 0.00 57.16 56.85 2fkx n GLU 13 Cb 0.40 -0.75 -0.10 0.00 -0.57 0.00 0.00 31.44 30.42 2fkx n GLU 13 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2fkx s PHE 14 N -0.55 -0.75 -1.29 -0.32 0.40 -0.05 -4.88 117.98 110.54 2fkx s PHE 14 Ca 0.00 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 57.71 2fkx s PHE 14 Cb 0.00 0.35 0.12 0.00 0.51 0.00 0.00 43.02 44.01 2fkx s PHE 14 CO 0.00 -0.42 1.76 0.00 0.70 0.00 0.00 175.22 177.26 2fkx n ALA 15 N 4.62 4.48 -1.51 5.36 0.00 -1.24 -4.36 120.51 127.85 2fkx n ALA 15 Ca -0.19 -4.10 0.07 0.00 0.00 0.00 0.00 53.44 49.22 2fkx n ALA 15 Cb 0.54 -3.25 0.13 0.00 0.00 0.00 0.00 19.45 16.86 2fkx n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2fkx n ARG 16 N 5.93 1.06 -4.39 0.00 1.85 -1.26 -3.70 116.66 116.14 2fkx n ARG 16 Ca 0.43 -2.52 -0.19 0.00 -1.00 0.00 0.00 57.85 54.56 2fkx n ARG 16 Cb 0.41 -1.24 -0.10 0.00 -1.05 0.00 0.00 32.46 30.48 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2fkx s PHE 17 N -2.29 1.73 -0.57 2.89 0.40 -1.26 -4.94 117.98 113.95 2fkx s PHE 17 Ca 0.29 -1.12 -0.35 0.00 -0.60 0.00 0.00 56.93 55.15 2fkx s PHE 17 Cb 0.28 -1.07 -0.16 0.00 0.51 0.00 0.00 43.02 42.58 2fkx s PHE 17 CO -0.03 -0.21 2.33 -2.30 0.70 0.00 0.00 175.22 175.71 2fkx n PRO 18 N -0.60 0.50 0.00 0.24 -0.02 -1.26 0.91 135.00 134.77 2fkx n PRO 18 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2fkx n PRO 18 Cb 0.66 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fkx n GLY 19 N 6.74 0.91 2.96 -1.23 0.00 -1.26 -4.99 105.19 108.32 2fkx n GLY 19 Ca 0.51 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.06 2fkx n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fkx n ASP 20 N 0.00 0.51 -1.10 1.61 5.75 0.26 -4.78 116.55 118.81 2fkx n ASP 20 Ca 0.00 0.43 0.10 0.00 -0.01 0.00 0.00 54.79 55.31 2fkx n ASP 20 Cb 0.00 -0.80 0.25 0.00 -1.03 0.00 0.00 41.12 39.54 2fkx n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2fkx n THR 21 N 6.09 0.88 -3.40 2.12 5.66 -1.24 -4.97 114.28 119.42 2fkx n THR 21 Ca 0.52 -0.94 -0.21 0.00 -3.05 0.00 0.00 64.05 60.38 2fkx n THR 21 Cb -0.01 0.61 0.07 0.00 -1.55 0.00 0.00 70.33 69.44 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2fkx n GLY 22 N 1.28 -0.36 3.75 1.09 0.00 -1.26 -4.99 105.19 104.71 2fkx n GLY 22 Ca 0.20 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 2fkx n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fkx s SER 23 N -3.22 4.44 0.19 1.61 0.01 -1.26 -4.94 113.70 110.53 2fkx s SER 23 Ca 0.49 1.96 -0.10 0.00 1.31 0.00 0.00 55.95 59.60 2fkx s SER 23 Cb -0.21 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.59 2fkx s SER 23 CO 0.60 -2.08 1.77 0.74 0.41 0.00 0.00 173.24 174.68 2fkx h THR 24 N -0.85 1.23 -0.79 1.44 2.02 -2.00 -2.58 112.91 111.39 2fkx h THR 24 Ca -0.45 -0.69 0.18 0.00 0.77 0.00 0.00 66.41 66.22 2fkx h THR 24 Cb 1.24 0.42 -0.12 0.00 -1.74 0.00 0.00 68.15 67.96 2fkx h THR 24 CO 0.51 0.28 0.20 -0.33 0.37 0.00 0.00 175.52 176.55 2fkx h GLU 25 N 0.96 0.26 -0.71 6.66 3.07 -1.96 -1.27 114.58 121.59 2fkx h GLU 25 Ca 0.23 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.14 2fkx h GLU 25 Cb 0.16 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.95 2fkx h GLU 25 CO -0.03 0.17 0.39 0.28 -1.40 0.00 0.00 179.01 178.43 2fkx h VAL 26 N 0.27 0.95 0.00 3.13 2.07 -1.80 0.22 116.25 121.09 2fkx h VAL 26 Ca 0.46 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.62 2fkx h VAL 26 Cb 0.83 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2fkx h VAL 26 CO -0.55 0.13 -0.52 1.56 0.02 0.00 0.00 177.57 178.21 2fkx h GLN 27 N 0.71 0.00 0.00 1.57 4.20 -1.24 0.07 115.11 120.41 2fkx h GLN 27 Ca 0.32 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.87 2fkx h GLN 27 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2fkx h GLN 27 CO -0.20 0.52 -0.77 0.28 -0.67 0.00 0.00 178.83 177.99 2fkx h VAL 28 N 0.00 1.37 -0.45 -0.54 2.07 -0.98 -0.94 116.25 116.78 2fkx h VAL 28 Ca -0.01 -2.81 -0.14 0.00 0.82 0.00 0.00 66.70 64.57 2fkx h VAL 28 Cb 1.25 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.61 2fkx h VAL 28 CO 0.07 0.75 -0.26 0.00 0.02 0.00 0.00 177.57 178.15 2fkx h ALA 29 N 1.23 0.68 0.00 1.67 0.00 -0.05 0.17 119.26 122.96 2fkx h ALA 29 Ca -0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2fkx h ALA 29 Cb 1.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2fkx h ALA 29 CO 0.10 0.67 -0.66 1.37 0.00 0.00 0.00 179.25 180.74 2fkx h LEU 30 N 0.82 0.00 -0.36 0.00 8.10 -0.94 0.82 115.31 123.75 2fkx h LEU 30 Ca 0.10 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.00 2fkx h LEU 30 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 2fkx h LEU 30 CO 0.07 0.66 -0.12 0.17 -4.11 0.00 0.00 178.44 175.11 2fkx h LEU 31 N 0.00 0.73 -0.83 0.17 8.10 -0.85 -0.68 115.31 121.95 2fkx h LEU 31 Ca -0.01 -0.38 -0.09 0.00 0.11 0.00 0.00 57.88 57.51 2fkx h LEU 31 Cb 1.25 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 41.26 2fkx h LEU 31 CO 0.09 0.94 -0.13 0.74 -4.11 0.00 0.00 178.44 175.97 2fkx h THR 32 N 0.51 1.26 -0.26 0.15 2.02 -0.55 -1.50 112.91 114.54 2fkx h THR 32 Ca 0.09 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 65.99 2fkx h THR 32 Cb 0.64 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2fkx h THR 32 CO 0.04 0.40 -0.28 0.25 0.37 0.00 0.00 175.52 176.30 2fkx h LEU 33 N 0.66 0.52 -0.48 2.58 5.85 -0.55 0.34 115.31 124.24 2fkx h LEU 33 Ca 0.11 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.49 2fkx h LEU 33 Cb 0.60 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2fkx h LEU 33 CO 0.04 0.79 -0.37 0.03 -0.34 0.00 0.00 178.44 178.58 2fkx h ARG 34 N 0.45 0.84 -0.65 1.25 2.47 -0.80 0.14 114.38 118.09 2fkx h ARG 34 Ca 0.06 -0.43 -0.06 0.00 -1.26 0.00 0.00 59.98 58.29 2fkx h ARG 34 Cb 0.72 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 2fkx h ARG 34 CO 0.06 1.07 0.16 0.82 0.56 0.00 0.00 179.97 182.64 2fkx h ILE 35 N 0.69 1.26 -0.15 2.04 2.04 -0.86 0.73 117.51 123.26 2fkx h ILE 35 Ca 0.06 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2fkx h ILE 35 Cb 0.94 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2fkx h ILE 35 CO 0.09 0.35 0.07 -1.13 0.00 0.00 0.00 178.15 177.53 2fkx h ASN 36 N 0.96 0.10 -0.12 1.72 -0.73 -0.09 0.21 115.58 117.63 2fkx h ASN 36 Ca 0.20 0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.39 2fkx h ASN 36 Cb 0.36 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 2fkx h ASN 36 CO 0.00 0.08 0.05 -0.09 -0.37 0.00 0.00 177.43 177.10 2fkx h ARG 37 N 0.16 0.11 -0.92 6.67 9.65 -0.50 -1.80 114.38 127.74 2fkx h ARG 37 Ca 0.06 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2fkx h ARG 37 Cb 0.01 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 2fkx h ARG 37 CO -0.05 0.07 0.55 1.25 2.80 0.00 0.00 179.97 184.59 2fkx h LEU 38 N 0.11 1.11 -0.97 3.80 5.85 -0.61 -1.15 115.31 123.45 2fkx h LEU 38 Ca 0.05 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2fkx h LEU 38 Cb 0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2fkx h LEU 38 CO -0.05 0.85 -0.04 0.28 -0.34 0.00 0.00 178.44 179.15 2fkx h SER 39 N 1.27 0.68 1.17 1.25 0.02 -0.14 0.37 113.55 118.16 2fkx h SER 39 Ca 0.33 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2fkx h SER 39 Cb -0.05 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 2fkx h SER 39 CO -0.06 0.77 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.02 2fkx h GLU 40 N 0.66 0.00 0.06 3.45 4.39 -0.50 -1.68 114.58 120.96 2fkx h GLU 40 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2fkx h GLU 40 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2fkx h GLU 40 CO 0.02 0.05 -0.03 0.45 -1.16 0.00 0.00 179.01 178.35 2fkx h HIS 41 N 0.00 -0.08 -0.02 4.33 3.86 -0.23 -3.36 115.15 119.66 2fkx h HIS 41 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2fkx h HIS 41 Cb 0.65 0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 2fkx h HIS 41 CO 0.00 -0.05 0.15 -0.07 0.86 0.00 0.00 177.93 178.83 2fkx h LEU 42 N -1.00 0.00 0.00 2.43 3.38 -0.21 1.37 115.31 121.28 2fkx h LEU 42 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2fkx h LEU 42 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2fkx h LEU 42 CO 0.01 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.83 2fkx n LYS 43 N -3.07 0.80 0.00 1.13 -0.00 -0.64 -3.15 118.16 113.22 2fkx n LYS 43 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2fkx n LYS 43 Cb 0.22 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2fkx n VAL 44 N -0.74 0.00 -2.09 0.58 0.31 0.07 -5.11 118.33 111.34 2fkx n VAL 44 Ca 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.40 2fkx n VAL 44 Cb 0.04 -0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 2fkx n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2fkx n HIS 45 N -1.32 -3.15 0.00 3.52 8.25 0.45 -5.06 115.22 117.90 2fkx n HIS 45 Ca 0.00 1.86 0.00 0.00 -0.26 0.00 0.00 57.72 59.32 2fkx n HIS 45 Cb 0.02 -3.20 0.00 0.00 1.12 0.00 0.00 29.99 27.94 2fkx n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2fkx n LYS 46 N 1.19 0.00 -0.26 -0.41 5.02 -1.25 -4.82 118.16 117.63 2fkx n LYS 46 Ca -0.16 0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2fkx n LYS 46 Cb 0.25 -0.54 0.01 0.00 -0.02 0.00 0.00 35.03 34.73 2fkx n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fkx n LYS 47 N -1.67 0.26 0.14 1.97 5.02 -1.26 -4.86 118.16 117.75 2fkx n LYS 47 Ca 0.00 -0.96 0.02 0.00 -2.02 0.00 0.00 58.31 55.35 2fkx n LYS 47 Cb 0.00 -0.60 0.09 0.00 -0.02 0.00 0.00 35.03 34.50 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2fkx h ASP 48 N 0.00 0.00 -3.92 4.39 3.32 -1.97 -3.50 116.42 114.74 2fkx h ASP 48 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2fkx h ASP 48 Cb 1.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 2fkx h ASP 48 CO 0.00 0.55 -0.28 1.41 -1.72 0.00 0.00 179.24 179.20 2fkx n HIS 49 N -3.34 -0.87 0.27 4.55 8.25 -1.26 -4.12 115.22 118.70 2fkx n HIS 49 Ca 0.01 0.48 0.06 0.00 -0.26 0.00 0.00 57.72 58.01 2fkx n HIS 49 Cb 0.71 -0.81 0.22 0.00 1.12 0.00 0.00 29.99 31.23 2fkx n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fkx n HIS 50 N -2.48 0.87 -0.05 4.41 -0.00 -1.26 -3.54 115.22 113.17 2fkx n HIS 50 Ca -0.02 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.72 57.33 2fkx n HIS 50 Cb 0.15 -0.13 -0.13 0.00 -0.00 0.00 0.00 29.99 29.89 2fkx n HIS 50 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2fkx n SER 51 N 0.70 1.15 -1.50 0.41 3.41 -1.26 -4.43 113.62 112.10 2fkx n SER 51 Ca 0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.87 2fkx n SER 51 Cb 0.55 1.25 0.34 0.00 -0.26 0.00 0.00 64.21 66.10 2fkx n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2fkx n HIS 52 N -2.37 1.33 -2.26 7.33 -0.00 -1.23 -4.64 115.22 113.37 2fkx n HIS 52 Ca -0.16 -0.58 -0.35 0.00 -0.00 0.00 0.00 57.72 56.63 2fkx n HIS 52 Cb 0.77 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.99 30.55 2fkx n HIS 52 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2fkx s ARG 53 N -1.62 2.95 -0.93 -0.41 1.70 -1.26 -2.95 118.95 116.43 2fkx s ARG 53 Ca 0.50 -0.38 -0.03 0.00 -0.47 0.00 0.00 55.73 55.36 2fkx s ARG 53 Cb 0.31 -4.93 -0.03 0.00 -0.57 0.00 0.00 34.95 29.73 2fkx s ARG 53 CO 0.27 -2.77 0.80 0.41 -1.08 0.00 0.00 175.30 172.92 2fkx n GLY 54 N 6.49 -0.52 3.63 3.88 0.00 -1.26 -4.92 105.19 112.49 2fkx n GLY 54 Ca 0.30 0.22 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 2fkx n GLY 54 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2fkx n LEU 55 N -3.26 2.58 -0.15 0.99 -0.00 -1.15 -4.69 117.00 111.31 2fkx n LEU 55 Ca -0.15 1.16 0.28 0.00 -0.00 0.00 0.00 56.01 57.31 2fkx n LEU 55 Cb 0.62 -1.37 0.70 0.00 -0.00 0.00 0.00 43.42 43.37 2fkx n LEU 55 CO 0.50 -1.09 1.26 -0.07 -0.00 0.00 0.00 177.39 177.99 2fkx h LEU 56 N 2.10 0.00 -0.42 1.47 3.38 -1.92 -1.61 115.31 118.31 2fkx h LEU 56 Ca -0.43 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.58 2fkx h LEU 56 Cb 1.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 2fkx h LEU 56 CO 0.60 0.00 -0.37 -0.03 0.09 0.00 0.00 178.44 178.74 2fkx h MET 57 N 0.00 -0.14 0.10 1.13 4.05 -1.98 0.44 114.93 118.53 2fkx h MET 57 Ca 0.41 0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.57 2fkx h MET 57 Cb 1.88 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.72 2fkx h MET 57 CO -0.00 -0.09 -1.17 0.52 0.23 0.00 0.00 176.91 176.39 2fkx h MET 58 N -0.15 0.39 0.37 0.39 2.86 -1.65 -1.79 114.93 115.36 2fkx h MET 58 Ca 0.07 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 2fkx h MET 58 Cb 0.33 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2fkx h MET 58 CO -0.48 1.23 -0.18 0.28 1.06 0.00 0.00 176.91 178.82 2fkx h VAL 59 N 0.16 0.65 -0.47 -2.22 2.07 -1.35 0.72 116.25 115.81 2fkx h VAL 59 Ca -0.14 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2fkx h VAL 59 Cb 1.86 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2fkx h VAL 59 CO 0.20 0.04 -0.20 1.23 0.02 0.00 0.00 177.57 178.86 2fkx h GLY 60 N -0.60 1.05 2.00 2.17 0.00 -0.22 -2.64 103.07 104.83 2fkx h GLY 60 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.36 2fkx h GLY 60 CO 0.08 0.84 0.00 -1.06 0.00 0.00 0.00 176.54 176.40 2fkx n GLN 61 N -4.15 0.15 -0.03 4.80 6.02 -0.67 -0.69 117.38 122.81 2fkx n GLN 61 Ca -0.00 0.21 -0.14 0.00 -0.01 0.00 0.00 57.00 57.06 2fkx n GLN 61 Cb 0.45 -1.70 -0.11 0.00 1.02 0.00 0.00 30.24 29.90 2fkx n GLN 61 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2fkx h ARG 62 N 0.00 0.10 -0.26 -1.09 2.43 -0.56 0.14 114.38 115.14 2fkx h ARG 62 Ca 0.00 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2fkx h ARG 62 Cb 0.54 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2fkx h ARG 62 CO 0.00 0.76 -0.14 0.00 -1.51 0.00 0.00 179.97 179.08 2fkx h ARG 63 N -0.53 0.44 -0.08 0.20 3.08 -1.16 -0.26 114.38 116.07 2fkx h ARG 63 Ca -0.01 -0.13 -0.24 0.00 0.07 0.00 0.00 59.98 59.68 2fkx h ARG 63 Cb 0.78 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.80 2fkx h ARG 63 CO 0.02 0.58 -0.90 -0.09 -1.07 0.00 0.00 179.97 178.51 2fkx h ARG 64 N 0.41 0.74 -0.04 0.04 9.65 -0.91 -2.98 114.38 121.29 2fkx h ARG 64 Ca 0.08 -0.69 -0.09 0.00 -1.10 0.00 0.00 59.98 58.18 2fkx h ARG 64 Cb 0.48 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 2fkx h ARG 64 CO 0.03 1.28 -0.40 -0.07 2.80 0.00 0.00 179.97 183.61 2fkx h LEU 65 N 0.47 0.09 -1.29 3.80 3.38 -0.38 -2.02 115.31 119.35 2fkx h LEU 65 Ca -0.09 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2fkx h LEU 65 Cb 1.53 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 2fkx h LEU 65 CO 0.18 0.48 0.48 -0.07 0.09 0.00 0.00 178.44 179.60 2fkx h LEU 66 N 0.08 0.82 -0.44 1.67 3.38 -1.00 0.13 115.31 119.94 2fkx h LEU 66 Ca 0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2fkx h LEU 66 Cb 0.74 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2fkx h LEU 66 CO 0.06 0.59 -0.32 0.03 0.09 0.00 0.00 178.44 178.88 2fkx h ARG 67 N 0.96 0.96 -0.38 1.13 2.47 -1.23 0.72 114.38 119.01 2fkx h ARG 67 Ca 0.27 -0.47 -0.16 0.00 -1.26 0.00 0.00 59.98 58.36 2fkx h ARG 67 Cb -0.08 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 2fkx h ARG 67 CO -0.06 1.13 -0.39 1.88 0.56 0.00 0.00 179.97 183.09 2fkx h TYR 68 N 0.80 1.12 0.00 3.04 0.05 -0.91 -0.70 116.97 120.38 2fkx h TYR 68 Ca 0.08 -0.34 -0.13 0.00 0.05 0.00 0.00 58.73 58.39 2fkx h TYR 68 Cb 0.91 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 2fkx h TYR 68 CO 0.06 1.17 -0.60 1.37 -1.05 0.00 0.00 178.16 179.11 2fkx h LEU 69 N 0.76 0.00 -0.56 3.88 8.10 -0.97 -2.29 115.31 124.24 2fkx h LEU 69 Ca 0.06 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.99 2fkx h LEU 69 Cb 0.98 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.18 2fkx h LEU 69 CO 0.10 0.60 0.12 -0.61 -4.11 0.00 0.00 178.44 174.53 2fkx h GLN 70 N 0.00 0.90 -0.58 0.17 4.15 -0.66 -2.61 115.11 116.48 2fkx h GLN 70 Ca -0.01 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.12 2fkx h GLN 70 Cb 1.16 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 2fkx h GLN 70 CO 0.08 0.86 0.11 -0.09 -1.93 0.00 0.00 178.83 177.86 2fkx h ARG 71 N 0.80 0.96 -0.09 1.69 2.43 -0.96 -2.42 114.38 116.78 2fkx h ARG 71 Ca 0.17 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2fkx h ARG 71 Cb 0.37 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2fkx h ARG 71 CO 0.01 0.90 0.00 0.39 -1.51 0.00 0.00 179.97 179.76 2fkx n GLU 72 N -4.33 1.40 0.00 0.20 -0.58 -0.88 -4.64 120.64 111.81 2fkx n GLU 72 Ca 0.03 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 2fkx n GLU 72 Cb 0.26 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2fkx n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2fkx n ASP 73 N -0.18 0.00 0.27 1.62 -0.08 -1.00 -5.05 116.55 112.14 2fkx n ASP 73 Ca 0.15 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.60 2fkx n ASP 73 Cb 0.20 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.36 2fkx n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2fkx h PRO 74 N 0.00 0.00 0.25 -0.67 0.13 -1.68 -2.86 132.00 127.16 2fkx h PRO 74 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 2fkx h PRO 74 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 2fkx h PRO 74 CO 0.00 0.00 -1.47 0.93 -0.23 0.00 0.00 178.00 177.23 2fkx h GLU 75 N 0.00 0.52 -0.85 0.86 5.08 -1.92 -3.26 114.58 115.01 2fkx h GLU 75 Ca 0.00 -0.89 0.06 0.00 -1.00 0.00 0.00 59.36 57.52 2fkx h GLU 75 Cb 0.47 0.33 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 2fkx h GLU 75 CO 0.00 1.43 0.55 -0.09 -1.00 0.00 0.00 179.01 179.90 2fkx h ARG 76 N 0.11 0.94 -0.08 2.33 2.43 -1.83 -1.61 114.38 116.68 2fkx h ARG 76 Ca -0.26 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 2fkx h ARG 76 Cb 2.14 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 31.44 2fkx h ARG 76 CO 0.26 0.62 -0.15 -0.92 -1.51 0.00 0.00 179.97 178.27 2fkx h TYR 77 N 0.97 -0.39 0.28 2.20 3.20 -1.56 0.22 116.97 121.88 2fkx h TYR 77 Ca 0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2fkx h TYR 77 Cb 0.18 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2fkx h TYR 77 CO -0.00 -0.22 -0.14 0.00 -1.64 0.00 0.00 178.16 176.16 2fkx h ARG 78 N -0.22 -0.36 0.00 1.82 2.47 -1.45 -1.59 114.38 115.06 2fkx h ARG 78 Ca 0.08 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 2fkx h ARG 78 Cb 0.32 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2fkx h ARG 78 CO -0.20 -0.24 -0.19 0.00 0.56 0.00 0.00 179.97 179.89 2fkx h ALA 79 N 0.35 0.88 0.00 0.04 0.00 -1.21 -2.47 119.26 116.84 2fkx h ALA 79 Ca -0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2fkx h ALA 79 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2fkx h ALA 79 CO 0.06 0.23 -0.57 1.25 0.00 0.00 0.00 179.25 180.22 2fkx h LEU 80 N 0.00 0.00 -0.09 0.00 6.46 -0.47 0.25 115.31 121.46 2fkx h LEU 80 Ca -0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.54 2fkx h LEU 80 Cb 1.14 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 2fkx h LEU 80 CO 0.02 0.57 -1.00 0.16 -0.62 0.00 0.00 178.44 177.58 2fkx h ILE 81 N 0.00 1.61 -0.12 4.05 -0.00 -1.17 -0.50 117.51 121.37 2fkx h ILE 81 Ca -0.01 -3.08 -0.09 0.00 -0.00 0.00 0.00 64.86 61.68 2fkx h ILE 81 Cb 1.41 2.74 0.00 0.00 -0.00 0.00 0.00 36.82 40.96 2fkx h ILE 81 CO 0.07 0.89 -0.28 -0.08 -0.00 0.00 0.00 178.15 178.75 2fkx h GLU 82 N 0.04 0.40 0.00 0.16 4.57 -1.39 0.45 114.58 118.82 2fkx h GLU 82 Ca -0.04 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.77 2fkx h GLU 82 Cb 1.71 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.32 2fkx h GLU 82 CO 0.14 0.88 -0.44 -0.22 -1.18 0.00 0.00 179.01 178.20 2fkx h LYS 83 N -0.02 0.00 0.00 1.92 3.64 -0.48 -3.05 116.57 118.58 2fkx h LYS 83 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2fkx h LYS 83 Cb 0.88 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2fkx h LYS 83 CO 0.06 0.44 -1.16 -0.07 -2.27 0.00 0.00 179.45 176.44 2fkx h LEU 84 N 0.00 0.00 0.00 5.20 3.38 -1.18 -3.49 115.31 119.23 2fkx h LEU 84 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fkx h LEU 84 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2fkx h LEU 84 CO 0.06 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.86 2fkx n GLY 85 N 1.37 0.67 0.11 0.83 0.00 -0.87 -5.00 105.19 102.30 2fkx n GLY 85 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2fkx n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fkx n ILE 86 N 0.00 0.62 0.25 -0.61 -0.00 0.15 -3.61 119.36 116.16 2fkx n ILE 86 Ca 0.00 -0.55 0.11 0.00 -0.00 0.00 0.00 62.75 62.31 2fkx n ILE 86 Cb 0.00 -0.34 0.63 0.00 -0.00 0.00 0.00 39.64 39.93 2fkx n ILE 86 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 2fkx h ARG 87 N 0.00 0.00 0.00 0.38 2.47 -1.86 -3.50 114.38 111.87 2fkx h ARG 87 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2fkx h ARG 87 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2fkx h ARG 87 CO 0.00 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.11