#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fuj s ILE 6 N 0.00 2.79 -0.24 -0.18 -1.09 -1.26 -0.98 121.20 120.23 2fuj s ILE 6 Ca 0.00 0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 2fuj s ILE 6 Cb 0.00 -3.39 -0.14 0.00 -1.58 0.00 0.00 42.46 37.34 2fuj s ILE 6 CO 0.00 0.07 -0.24 0.18 -1.23 0.00 0.00 174.94 173.73 2fuj n LEU 7 N 3.14 2.71 -3.54 2.97 4.77 0.12 -4.91 117.00 122.27 2fuj n LEU 7 Ca 0.10 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 2fuj n LEU 7 Cb 0.40 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 2fuj n LEU 7 CO 0.60 0.82 0.77 0.00 -1.33 0.00 0.00 177.39 178.25 2fuj s ALA 8 N -2.47 -1.90 -0.36 -1.18 0.00 -0.99 -5.00 121.76 109.87 2fuj s ALA 8 Ca -0.33 1.29 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2fuj s ALA 8 Cb 0.09 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.31 2fuj s ALA 8 CO 0.52 -0.55 0.17 1.03 0.00 0.00 0.00 175.76 176.93 2fuj s ARG 9 N -2.38 0.86 -0.28 0.00 0.52 -1.25 0.22 118.95 116.63 2fuj s ARG 9 Ca 0.04 -1.42 -0.10 0.00 -0.52 0.00 0.00 55.73 53.72 2fuj s ARG 9 Cb -0.01 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2fuj s ARG 9 CO -0.05 -1.09 0.17 0.08 0.02 0.00 0.00 175.30 174.43 2fuj s VAL 10 N 1.10 5.07 0.12 3.52 1.01 0.98 -4.86 120.40 127.33 2fuj s VAL 10 Ca 0.14 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2fuj s VAL 10 Cb -0.21 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 2fuj s VAL 10 CO -0.12 0.23 1.06 -2.16 0.00 0.00 0.00 175.10 174.11 2fuj s PRO 11 N 1.72 4.59 -0.05 2.72 0.04 -1.26 -0.03 135.00 142.73 2fuj s PRO 11 Ca 0.07 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2fuj s PRO 11 Cb -0.16 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2fuj s PRO 11 CO 0.09 0.04 -0.11 0.42 0.04 0.00 0.00 177.00 177.49 2fuj s ILE 12 N 0.21 1.02 0.07 0.56 1.01 -0.22 -4.94 121.20 118.91 2fuj s ILE 12 Ca 0.51 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.45 2fuj s ILE 12 Cb -0.27 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 2fuj s ILE 12 CO 0.32 0.32 0.87 -0.44 0.00 0.00 0.00 174.94 176.01 2fuj s SER 13 N 0.57 7.35 0.26 3.58 0.01 -1.26 -1.40 113.70 122.81 2fuj s SER 13 Ca -0.12 1.62 -0.16 0.00 1.31 0.00 0.00 55.95 58.61 2fuj s SER 13 Cb -0.14 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 2fuj s SER 13 CO 0.03 -0.04 0.69 -0.69 0.41 0.00 0.00 173.24 173.64 2fuj s VAL 14 N 0.05 4.69 0.11 3.43 1.01 -1.26 -4.94 120.40 123.48 2fuj s VAL 14 Ca 0.43 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.48 2fuj s VAL 14 Cb -0.22 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2fuj s VAL 14 CO 0.26 0.02 -0.05 -0.13 0.00 0.00 0.00 175.10 175.20 2fuj s ARG 15 N -2.49 2.31 0.25 2.72 0.52 -1.26 -4.93 118.95 116.08 2fuj s ARG 15 Ca 0.48 -0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 2fuj s ARG 15 Cb -0.13 -2.39 0.36 0.00 0.52 0.00 0.00 34.95 33.30 2fuj s ARG 15 CO 0.19 0.51 1.86 2.35 0.02 0.00 0.00 175.30 180.24 2fuj h TRP 16 N 3.41 1.07 0.00 -0.53 7.01 -1.98 0.06 115.95 124.99 2fuj h TRP 16 Ca -0.48 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.55 2fuj h TRP 16 Cb 1.17 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 2fuj h TRP 16 CO 0.61 0.55 0.00 -2.13 -2.79 0.00 0.00 178.44 174.68 2fuj n ARG 17 N -4.57 0.11 0.24 2.65 3.00 -1.26 -2.25 116.66 114.57 2fuj n ARG 17 Ca 0.13 0.50 0.10 0.00 -0.00 0.00 0.00 57.85 58.59 2fuj n ARG 17 Cb 0.18 -1.78 0.59 0.00 0.00 0.00 0.00 32.46 31.44 2fuj n ARG 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2fuj h ASP 18 N 0.00 0.00 -4.23 6.15 3.45 -1.38 -3.44 116.42 116.97 2fuj h ASP 18 Ca 0.00 0.00 -0.48 0.00 0.43 0.00 0.00 57.03 56.98 2fuj h ASP 18 Cb 0.13 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.93 2fuj h ASP 18 CO 0.00 0.19 0.39 -0.04 -1.57 0.00 0.00 179.24 178.21 2fuj s MET 19 N -4.03 3.83 0.39 3.56 -1.94 -0.95 -1.21 119.30 118.95 2fuj s MET 19 Ca -0.02 0.92 0.03 0.00 -1.71 0.00 0.00 55.69 54.92 2fuj s MET 19 Cb 0.12 -2.12 0.03 0.00 2.01 0.00 0.00 34.83 34.88 2fuj s MET 19 CO 0.62 -0.37 0.29 -0.40 -0.01 0.00 0.00 175.02 175.15 2fuj n ASP 20 N -1.87 2.25 0.09 3.03 3.85 -0.64 -4.75 116.55 118.51 2fuj n ASP 20 Ca 0.07 -2.34 0.06 0.00 -0.71 0.00 0.00 54.79 51.87 2fuj n ASP 20 Cb 0.54 -0.03 0.33 0.00 -1.35 0.00 0.00 41.12 40.61 2fuj n ASP 20 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2fuj n SER 21 N -1.88 0.31 -0.47 -1.12 3.41 -1.26 -1.08 113.62 111.53 2fuj n SER 21 Ca -0.02 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 2fuj n SER 21 Cb 0.44 -0.67 0.51 0.00 -0.26 0.00 0.00 64.21 64.22 2fuj n SER 21 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2fuj n MET 22 N -1.92 1.64 -0.84 4.33 2.81 -1.26 -4.94 117.12 116.94 2fuj n MET 22 Ca -0.01 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 2fuj n MET 22 Cb 0.03 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 2fuj n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2fuj n GLY 23 N 1.15 0.53 3.11 3.03 0.00 -0.24 -5.06 105.19 107.71 2fuj n GLY 23 Ca 0.18 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2fuj n GLY 23 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fuj s HIS 24 N -2.00 0.64 0.20 1.61 3.76 -1.26 -4.83 115.29 113.42 2fuj s HIS 24 Ca 0.00 -0.91 -0.32 0.00 -0.15 0.00 0.00 55.06 53.68 2fuj s HIS 24 Cb 0.00 -0.42 -0.13 0.00 1.11 0.00 0.00 32.58 33.14 2fuj s HIS 24 CO 0.00 -0.25 1.58 0.28 -0.85 0.00 0.00 174.74 175.49 2fuj n VAL 25 N 0.32 0.33 -1.95 -0.90 0.31 0.47 -1.62 118.33 115.29 2fuj n VAL 25 Ca -0.15 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 63.70 2fuj n VAL 25 Cb 0.60 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2fuj n VAL 25 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2fuj s ASN 26 N 0.78 6.24 0.25 4.52 3.84 -0.35 -4.81 114.94 125.41 2fuj s ASN 26 Ca 0.74 2.80 -0.04 0.00 0.21 0.00 0.00 52.86 56.57 2fuj s ASN 26 Cb -0.61 -2.65 0.47 0.00 -0.55 0.00 0.00 41.25 37.91 2fuj s ASN 26 CO 0.40 -0.91 1.71 0.78 -2.79 0.00 0.00 177.10 176.29 2fuj h ASN 27 N 2.71 0.18 -0.02 -4.21 2.35 -1.91 -1.10 115.58 113.57 2fuj h ASN 27 Ca -0.50 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2fuj h ASN 27 Cb 1.25 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.75 2fuj h ASN 27 CO 0.63 0.04 0.02 0.00 -1.65 0.00 0.00 177.43 176.47 2fuj h ALA 28 N 1.58 1.85 0.00 -0.83 0.00 -1.97 -1.52 119.26 118.36 2fuj h ALA 28 Ca 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2fuj h ALA 28 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2fuj h ALA 28 CO -0.45 -0.03 -0.20 -0.22 0.00 0.00 0.00 179.25 178.35 2fuj h LYS 29 N 0.00 0.00 -0.62 0.00 1.63 -1.54 -2.79 116.57 113.25 2fuj h LYS 29 Ca 0.01 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2fuj h LYS 29 Cb 0.05 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2fuj h LYS 29 CO -0.00 0.20 0.27 1.88 -3.45 0.00 0.00 179.45 178.35 2fuj h TYR 30 N 0.00 0.92 -0.33 1.91 0.99 -1.32 0.21 116.97 119.34 2fuj h TYR 30 Ca -0.00 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 2fuj h TYR 30 Cb 0.62 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 38.05 2fuj h TYR 30 CO 0.00 0.71 0.15 0.82 -0.00 0.00 0.00 178.16 179.84 2fuj h ILE 31 N 0.85 1.12 -0.16 -2.88 2.04 -1.60 -1.41 117.51 115.47 2fuj h ILE 31 Ca 0.21 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.57 2fuj h ILE 31 Cb 0.16 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2fuj h ILE 31 CO -0.02 0.14 -0.54 0.28 0.00 0.00 0.00 178.15 178.01 2fuj h SER 32 N 0.46 0.53 -0.59 1.72 0.02 -1.20 -1.37 113.55 113.13 2fuj h SER 32 Ca 0.12 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 2fuj h SER 32 Cb 0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2fuj h SER 32 CO -0.02 0.97 0.01 1.88 -1.14 0.00 0.00 176.83 178.53 2fuj h TYR 33 N 0.37 1.13 -0.32 3.45 0.05 -0.04 -0.88 116.97 120.74 2fuj h TYR 33 Ca 0.01 -0.19 -0.09 0.00 0.05 0.00 0.00 58.73 58.51 2fuj h TYR 33 Cb 1.06 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2fuj h TYR 33 CO 0.04 1.00 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.89 2fuj h LEU 34 N 0.96 0.60 0.10 3.88 3.38 -1.14 -1.95 115.31 121.13 2fuj h LEU 34 Ca 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2fuj h LEU 34 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2fuj h LEU 34 CO 0.03 0.79 -0.05 -0.08 0.09 0.00 0.00 178.44 179.23 2fuj h GLU 35 N 0.54 -0.12 -0.66 1.13 4.81 -0.85 -1.99 114.58 117.43 2fuj h GLU 35 Ca 0.09 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 2fuj h GLU 35 Cb 0.63 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 2fuj h GLU 35 CO 0.04 0.13 0.34 1.49 -0.73 0.00 0.00 179.01 180.28 2fuj h GLU 36 N -0.37 0.59 -0.67 1.92 4.57 -1.03 -1.47 114.58 118.12 2fuj h GLU 36 Ca -0.01 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2fuj h GLU 36 Cb 0.31 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2fuj h GLU 36 CO 0.02 0.39 0.44 0.00 -1.18 0.00 0.00 179.01 178.68 2fuj h ALA 37 N 1.38 0.86 -0.47 2.92 0.00 -1.27 0.83 119.26 123.50 2fuj h ALA 37 Ca 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2fuj h ALA 37 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2fuj h ALA 37 CO -0.22 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.54 2fuj h ARG 38 N 0.89 0.66 0.02 0.00 3.08 -0.51 -1.46 114.38 117.07 2fuj h ARG 38 Ca 0.25 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 60.02 2fuj h ARG 38 Cb -0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2fuj h ARG 38 CO -0.06 0.53 -0.92 -0.39 -1.07 0.00 0.00 179.97 178.06 2fuj h VAL 39 N 0.62 1.54 0.00 2.04 -1.51 -1.15 -2.03 116.25 115.75 2fuj h VAL 39 Ca 0.16 -2.79 -0.06 0.00 -1.23 0.00 0.00 66.70 62.78 2fuj h VAL 39 Cb 0.07 2.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2fuj h VAL 39 CO -0.02 0.81 -0.29 0.03 -1.23 0.00 0.00 177.57 176.86 2fuj h ARG 40 N 0.07 0.00 -0.02 5.19 2.47 -0.78 -1.48 114.38 119.83 2fuj h ARG 40 Ca -0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 2fuj h ARG 40 Cb 1.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 2fuj h ARG 40 CO 0.14 0.29 -0.06 2.35 0.56 0.00 0.00 179.97 183.25 2fuj h TRP 41 N 0.00 0.10 0.00 3.04 7.01 -1.08 -2.80 115.95 122.22 2fuj h TRP 41 Ca -0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2fuj h TRP 41 Cb 0.65 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 2fuj h TRP 41 CO 0.00 0.66 0.00 -1.33 -2.79 0.00 0.00 178.44 174.98 2fuj n MET 42 N -4.73 0.07 0.03 2.65 0.00 -0.78 -2.19 117.12 112.18 2fuj n MET 42 Ca -0.09 0.32 -0.10 0.00 0.00 0.00 0.00 57.70 57.83 2fuj n MET 42 Cb 0.34 -1.64 -0.13 0.00 0.00 0.00 0.00 33.22 31.78 2fuj n MET 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2fuj h LEU 43 N 0.00 0.11 0.00 4.03 7.12 -1.13 -3.41 115.31 122.02 2fuj h LEU 43 Ca 0.00 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2fuj h LEU 43 Cb 0.29 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2fuj h LEU 43 CO 0.00 1.13 0.00 0.61 -0.13 0.00 0.00 178.44 180.05 2fuj n GLY 44 N 1.52 -2.84 0.00 3.75 0.00 -0.93 -4.30 105.19 102.39 2fuj n GLY 44 Ca -0.11 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2fuj n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fuj n VAL 45 N -0.55 0.00 -3.65 1.61 0.31 -1.26 -4.57 118.33 110.22 2fuj n VAL 45 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2fuj n VAL 45 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2fuj n VAL 45 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2fuj s GLU 46 N 0.00 0.72 1.70 5.55 2.02 -1.26 -5.15 118.70 122.28 2fuj s GLU 46 Ca 0.00 0.97 0.00 0.00 0.02 0.00 0.00 54.97 55.96 2fuj s GLU 46 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2fuj s GLU 46 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 2fuj n GLY 47 N 3.21 -1.26 3.75 -1.39 0.00 -1.26 -4.86 105.19 103.38 2fuj n GLY 47 Ca -0.16 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 2fuj n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fuj s VAL 48 N 0.00 3.92 -0.19 1.61 -7.23 -1.26 -4.95 120.40 112.30 2fuj s VAL 48 Ca 0.00 1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 62.02 2fuj s VAL 48 Cb 0.00 -4.19 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 2fuj s VAL 48 CO 0.00 0.42 -0.09 0.00 -0.31 0.00 0.00 175.10 175.12 2fuj s ALA 49 N -0.99 2.69 -0.30 1.32 0.00 -1.26 -5.05 121.76 118.18 2fuj s ALA 49 Ca 0.43 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 2fuj s ALA 49 Cb -0.28 -1.48 0.19 0.00 0.00 0.00 0.00 23.12 21.55 2fuj s ALA 49 CO 0.35 -0.20 1.17 -1.64 0.00 0.00 0.00 175.76 175.44 2fuj s MET 50 N 1.09 0.15 0.11 0.00 -1.94 -1.26 -5.12 119.30 112.33 2fuj s MET 50 Ca 0.01 0.26 -0.19 0.00 -1.71 0.00 0.00 55.69 54.06 2fuj s MET 50 Cb -0.15 0.04 0.05 0.00 2.01 0.00 0.00 34.83 36.78 2fuj s MET 50 CO -0.02 -0.03 0.47 0.95 -0.01 0.00 0.00 175.02 176.38 2fuj s THR 51 N 1.22 0.05 0.17 2.05 -4.23 -1.26 -5.19 115.64 108.44 2fuj s THR 51 Ca -0.08 -0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2fuj s THR 51 Cb -0.03 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 2fuj s THR 51 CO -0.12 -0.21 -0.00 1.51 -0.54 0.00 0.00 174.62 175.26 2fuj s ASP 52 N -2.60 1.22 0.39 3.99 -4.77 -1.26 -5.02 116.67 108.61 2fuj s ASP 52 Ca 0.01 -1.16 0.00 0.00 -3.30 0.00 0.00 52.55 48.09 2fuj s ASP 52 Cb 0.01 0.12 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 2fuj s ASP 52 CO -0.10 -0.56 0.00 -1.14 0.70 0.00 0.00 175.17 174.07 2fuj n ARG 53 N -0.23 0.00 -1.55 2.11 0.63 -1.26 -4.81 116.66 111.55 2fuj n ARG 53 Ca -0.07 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.58 2fuj n ARG 53 Cb 0.63 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.48 2fuj n ARG 53 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2fuj n ILE 54 N 0.00 -0.05 -4.35 5.15 0.00 -1.26 -4.87 119.36 113.98 2fuj n ILE 54 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 62.75 61.92 2fuj n ILE 54 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 39.64 37.21 2fuj n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2fuj s ALA 55 N 12.67 1.97 0.14 1.51 0.00 -1.26 -5.02 121.76 131.77 2fuj s ALA 55 Ca 0.99 -1.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2fuj s ALA 55 Cb -0.23 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 2fuj s ALA 55 CO 0.22 -0.02 0.70 -1.25 0.00 0.00 0.00 175.76 175.41 2fuj s PRO 56 N -3.70 4.39 0.00 0.00 0.04 -1.26 -2.48 135.00 131.99 2fuj s PRO 56 Ca 0.23 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2fuj s PRO 56 Cb 0.01 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2fuj s PRO 56 CO 0.07 0.57 -0.01 0.14 0.04 0.00 0.00 177.00 177.81 2fuj s VAL 57 N -1.19 0.08 -0.17 -0.36 -7.23 0.66 -4.97 120.40 107.22 2fuj s VAL 57 Ca 0.34 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 2fuj s VAL 57 Cb -0.21 -0.08 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 2fuj s VAL 57 CO 0.23 0.00 1.13 -0.69 -0.31 0.00 0.00 175.10 175.46 2fuj s VAL 58 N -0.08 4.51 -0.10 1.32 1.01 -1.26 -1.33 120.40 124.47 2fuj s VAL 58 Ca -0.00 1.82 0.16 0.00 0.00 0.00 0.00 61.98 63.95 2fuj s VAL 58 Cb -0.01 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2fuj s VAL 58 CO -0.00 -0.12 0.70 0.00 0.00 0.00 0.00 175.10 175.68 2fuj n ALA 59 N 6.09 1.77 -3.57 5.51 0.00 0.48 -4.97 120.51 125.82 2fuj n ALA 59 Ca 0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 2fuj n ALA 59 Cb 0.46 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 2fuj n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fuj s ALA 60 N -2.79 -1.83 -0.13 0.00 0.00 -1.15 -4.98 121.76 110.87 2fuj s ALA 60 Ca -0.04 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2fuj s ALA 60 Cb 0.08 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2fuj s ALA 60 CO 0.82 -0.33 -0.14 0.95 0.00 0.00 0.00 175.76 177.06 2fuj s THR 61 N -0.68 1.49 -0.37 0.00 -4.23 -1.26 -0.73 115.64 109.86 2fuj s THR 61 Ca -0.05 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 2fuj s THR 61 Cb -0.02 -1.40 0.11 0.00 1.34 0.00 0.00 72.50 72.53 2fuj s THR 61 CO 0.04 0.44 0.10 0.20 -0.54 0.00 0.00 174.62 174.87 2fuj s ASN 62 N 1.38 4.51 -0.18 3.99 -0.87 0.33 -5.02 114.94 119.09 2fuj s ASN 62 Ca 0.02 -2.24 -0.02 0.00 -1.57 0.00 0.00 52.86 49.05 2fuj s ASN 62 Cb -0.13 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.25 39.62 2fuj s ASN 62 CO -0.08 -0.36 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.30 2fuj s VAL 63 N 0.79 3.03 -0.18 1.60 1.01 -1.26 -0.70 120.40 124.70 2fuj s VAL 63 Ca 0.12 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2fuj s VAL 63 Cb -0.20 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2fuj s VAL 63 CO -0.09 0.48 0.10 0.20 0.00 0.00 0.00 175.10 175.79 2fuj s ASN 64 N 0.99 5.98 -0.43 3.32 0.01 -0.09 -5.02 114.94 119.71 2fuj s ASN 64 Ca -0.01 0.21 -0.15 0.00 -0.71 0.00 0.00 52.86 52.20 2fuj s ASN 64 Cb -0.15 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.54 2fuj s ASN 64 CO -0.01 0.22 0.32 -0.31 -1.51 0.00 0.00 177.10 175.82 2fuj s TYR 65 N 0.09 3.25 -0.11 2.20 2.02 -1.26 -2.85 117.35 120.67 2fuj s TYR 65 Ca 0.08 -0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 2fuj s TYR 65 Cb -0.12 -2.79 -0.26 0.00 -0.40 0.00 0.00 41.96 38.39 2fuj s TYR 65 CO -0.00 -0.67 0.55 0.87 -1.57 0.00 0.00 175.55 174.73 2fuj h LYS 66 N 8.65 0.21 -2.66 -0.62 6.56 -1.43 -3.49 116.57 123.79 2fuj h LYS 66 Ca -0.27 -0.35 -0.09 0.00 -1.06 0.00 0.00 60.65 58.87 2fuj h LYS 66 Cb 1.11 0.13 -0.19 0.00 -0.57 0.00 0.00 32.23 32.71 2fuj h LYS 66 CO 0.78 1.17 -0.08 -0.98 -2.06 0.00 0.00 179.45 178.27 2fuj s ARG 67 N -2.45 0.84 0.39 3.15 1.70 -1.20 -5.03 118.95 116.35 2fuj s ARG 67 Ca -0.20 -0.05 -0.27 0.00 -0.47 0.00 0.00 55.73 54.73 2fuj s ARG 67 Cb 0.04 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.71 2fuj s ARG 67 CO 0.75 -0.25 1.34 -1.25 -1.08 0.00 0.00 175.30 174.80 2fuj s PRO 68 N -1.43 4.06 -0.13 3.89 0.04 -1.26 -4.69 135.00 135.48 2fuj s PRO 68 Ca -0.12 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2fuj s PRO 68 Cb -0.03 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2fuj s PRO 68 CO 0.05 -0.45 -0.06 -1.17 0.04 0.00 0.00 177.00 175.41 2fuj s LEU 69 N -2.25 3.16 0.03 -3.56 2.96 -1.26 -5.02 118.68 112.75 2fuj s LEU 69 Ca 0.55 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 2fuj s LEU 69 Cb -0.40 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2fuj s LEU 69 CO 0.53 0.23 -0.14 0.68 -1.32 0.00 0.00 176.35 176.33 2fuj s VAL 70 N -0.00 1.10 0.55 1.68 -7.23 -1.26 -0.39 120.40 114.85 2fuj s VAL 70 Ca -0.00 -0.94 -0.20 0.00 -1.81 0.00 0.00 61.98 59.04 2fuj s VAL 70 Cb -0.13 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 2fuj s VAL 70 CO 0.03 0.05 1.17 0.86 -0.31 0.00 0.00 175.10 176.90 2fuj s TRP 71 N -0.77 2.56 -0.40 2.82 -0.00 -1.26 -1.72 118.94 120.17 2fuj s TRP 71 Ca 0.02 1.52 0.02 0.00 -0.00 0.00 0.00 56.10 57.66 2fuj s TRP 71 Cb -0.07 -3.40 0.48 0.00 -0.00 0.00 0.00 33.47 30.48 2fuj s TRP 71 CO 0.01 -1.88 1.80 -0.35 -0.00 0.00 0.00 176.95 176.53 2fuj n PRO 72 N -1.32 2.07 -2.56 5.86 -0.04 -1.26 -5.11 135.00 132.64 2fuj n PRO 72 Ca 0.12 -2.42 -0.43 0.00 -0.04 0.00 0.00 63.50 60.74 2fuj n PRO 72 Cb 0.50 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 2fuj n PRO 72 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2fuj s ASN 73 N -0.86 6.51 0.62 3.54 0.01 -0.70 -4.89 114.94 119.19 2fuj s ASN 73 Ca 0.46 0.36 -0.14 0.00 -0.71 0.00 0.00 52.86 52.84 2fuj s ASN 73 Cb 0.38 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 2fuj s ASN 73 CO 0.06 -1.38 1.06 -1.81 -1.51 0.00 0.00 177.10 173.52 2fuj s ASP 74 N 2.88 5.67 0.44 -1.22 1.01 -1.26 -4.61 116.67 119.58 2fuj s ASP 74 Ca 0.48 1.74 0.06 0.00 0.71 0.00 0.00 52.55 55.54 2fuj s ASP 74 Cb -0.08 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2fuj s ASP 74 CO 0.29 -1.24 0.09 0.27 0.21 0.00 0.00 175.17 174.80 2fuj s ILE 75 N -2.65 1.94 -0.15 0.77 -0.00 -0.49 -1.74 121.20 118.88 2fuj s ILE 75 Ca 0.62 -1.86 -0.00 0.00 -0.00 0.00 0.00 60.65 59.41 2fuj s ILE 75 Cb -0.15 -2.80 0.03 0.00 -0.00 0.00 0.00 42.46 39.54 2fuj s ILE 75 CO 0.43 0.00 -0.08 -0.22 -0.00 0.00 0.00 174.94 175.06 2fuj s LEU 76 N -3.85 1.58 -0.37 0.37 2.96 0.82 -1.05 118.68 119.14 2fuj s LEU 76 Ca 0.32 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.55 2fuj s LEU 76 Cb 0.06 -0.98 0.00 0.00 0.50 0.00 0.00 46.19 45.77 2fuj s LEU 76 CO 0.17 -0.14 0.26 -0.69 -1.32 0.00 0.00 176.35 174.63 2fuj s VAL 77 N 1.60 5.18 -0.24 1.68 1.01 0.96 -0.92 120.40 129.66 2fuj s VAL 77 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 2fuj s VAL 77 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2fuj s VAL 77 CO -0.08 -0.13 0.30 -0.70 0.00 0.00 0.00 175.10 174.48 2fuj s GLU 78 N 1.69 4.08 -0.05 2.72 2.12 -0.44 -0.01 118.70 128.80 2fuj s GLU 78 Ca 0.05 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.39 2fuj s GLU 78 Cb -0.18 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 2fuj s GLU 78 CO 0.10 -0.09 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.03 2fuj s LEU 79 N 1.50 2.46 0.16 2.70 1.43 0.13 -1.48 118.68 125.57 2fuj s LEU 79 Ca 0.13 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 2fuj s LEU 79 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2fuj s LEU 79 CO 0.08 0.30 0.26 0.72 0.23 0.00 0.00 176.35 177.94 2fuj s PHE 80 N -0.50 0.42 -0.40 0.29 -0.71 -0.46 0.15 117.98 116.78 2fuj s PHE 80 Ca 0.06 -0.79 -0.25 0.00 -1.04 0.00 0.00 56.93 54.92 2fuj s PHE 80 Cb -0.12 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.62 2fuj s PHE 80 CO 0.01 -0.69 0.87 0.08 -1.34 0.00 0.00 175.22 174.15 2fuj s VAL 81 N -3.97 4.61 -0.13 -2.49 1.01 -0.16 -0.40 120.40 118.88 2fuj s VAL 81 Ca 0.17 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 2fuj s VAL 81 Cb 0.04 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 31.85 2fuj s VAL 81 CO -0.01 -0.59 0.37 -0.08 0.00 0.00 0.00 175.10 174.80 2fuj h GLU 82 N 8.66 0.23 -3.36 2.72 4.81 -1.24 -3.46 114.58 122.94 2fuj h GLU 82 Ca -0.24 -0.40 -0.18 0.00 -0.13 0.00 0.00 59.36 58.41 2fuj h GLU 82 Cb 1.08 0.15 -0.26 0.00 0.63 0.00 0.00 28.75 30.35 2fuj h GLU 82 CO 0.97 1.19 -0.52 1.03 -0.73 0.00 0.00 179.01 180.94 2fuj s ARG 83 N -2.52 0.22 -0.22 1.92 0.52 -0.98 -4.99 118.95 112.90 2fuj s ARG 83 Ca -0.23 0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 2fuj s ARG 83 Cb 0.06 0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.67 2fuj s ARG 83 CO 0.75 -0.03 -0.14 -1.17 0.02 0.00 0.00 175.30 174.73 2fuj s LEU 84 N -0.07 2.84 0.00 2.53 0.20 -1.26 -0.85 118.68 122.07 2fuj s LEU 84 Ca -0.02 -0.97 0.04 0.00 0.69 0.00 0.00 54.13 53.88 2fuj s LEU 84 Cb -0.02 -1.55 0.04 0.00 -0.43 0.00 0.00 46.19 44.24 2fuj s LEU 84 CO 0.00 -0.10 0.37 0.61 -0.29 0.00 0.00 176.35 176.95 2fuj n GLY 85 N 4.56 2.48 0.18 7.98 0.00 0.85 -5.02 105.19 116.23 2fuj n GLY 85 Ca -0.17 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.42 2fuj n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fuj h SER 86 N 0.27 0.84 -0.00 1.61 4.64 -1.99 -3.37 113.55 115.55 2fuj h SER 86 Ca -0.20 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 2fuj h SER 86 Cb 0.82 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2fuj h SER 86 CO 0.31 1.53 -0.16 -1.54 -0.87 0.00 0.00 176.83 176.09 2fuj n SER 87 N -3.80 0.23 -4.38 4.97 3.41 -1.26 -4.28 113.62 108.50 2fuj n SER 87 Ca -0.12 -0.61 -0.19 0.00 -0.26 0.00 0.00 58.87 57.69 2fuj n SER 87 Cb 0.93 0.95 -0.10 0.00 -0.26 0.00 0.00 64.21 65.72 2fuj n SER 87 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2fuj s SER 88 N -1.29 2.44 -0.03 4.04 1.04 -1.26 -2.56 113.70 116.08 2fuj s SER 88 Ca 0.02 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.27 2fuj s SER 88 Cb 0.03 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.07 2fuj s SER 88 CO 0.14 -0.37 0.03 -0.69 0.98 0.00 0.00 173.24 173.33 2fuj s VAL 89 N -3.13 0.03 -0.43 5.02 1.01 0.55 -0.10 120.40 123.34 2fuj s VAL 89 Ca 0.28 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 2fuj s VAL 89 Cb 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.29 2fuj s VAL 89 CO 0.10 0.14 0.32 -0.89 0.00 0.00 0.00 175.10 174.77 2fuj s THR 90 N 1.37 5.02 -0.39 3.92 2.01 -0.03 -0.57 115.64 126.97 2fuj s THR 90 Ca -0.05 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.79 2fuj s THR 90 Cb -0.13 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2fuj s THR 90 CO -0.03 -0.44 0.67 -0.63 -0.69 0.00 0.00 174.62 173.50 2fuj s ILE 91 N 1.61 4.83 0.54 1.82 1.09 0.20 -0.67 121.20 130.62 2fuj s ILE 91 Ca 0.04 0.44 -0.12 0.00 -1.10 0.00 0.00 60.65 59.91 2fuj s ILE 91 Cb -0.22 -4.15 -0.05 0.00 -1.06 0.00 0.00 42.46 36.97 2fuj s ILE 91 CO 0.07 -0.46 0.95 -0.83 -0.10 0.00 0.00 174.94 174.58 2fuj s GLY 92 N 1.90 1.79 0.11 6.18 0.00 0.46 -0.83 107.32 116.94 2fuj s GLY 92 Ca 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 44.72 44.82 2fuj s GLY 92 CO 0.17 0.17 0.18 -2.38 0.00 0.00 0.00 173.10 171.24 2fuj s HIS 93 N -2.86 0.32 -0.12 1.90 -3.43 -0.42 -1.35 115.29 109.33 2fuj s HIS 93 Ca 0.55 -0.74 -0.04 0.00 -0.80 0.00 0.00 55.06 54.03 2fuj s HIS 93 Cb -0.10 -0.13 0.06 0.00 -1.43 0.00 0.00 32.58 30.98 2fuj s HIS 93 CO 0.43 -0.57 0.21 1.03 -2.00 0.00 0.00 174.74 173.85 2fuj s ARG 94 N -3.91 0.11 -0.39 -0.38 0.52 -0.55 -3.19 118.95 111.15 2fuj s ARG 94 Ca 0.10 0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 55.74 2fuj s ARG 94 Cb 0.05 -0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.18 2fuj s ARG 94 CO -0.07 -0.36 0.30 0.42 0.02 0.00 0.00 175.30 175.61 2fuj s ILE 95 N 2.35 5.25 0.35 1.52 1.01 0.65 -1.32 121.20 131.00 2fuj s ILE 95 Ca 0.03 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.28 2fuj s ILE 95 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2fuj s ILE 95 CO -0.08 -0.23 0.13 -0.76 0.00 0.00 0.00 174.94 174.00 2fuj s LEU 96 N 1.75 3.21 0.02 2.97 1.43 -0.10 -0.74 118.68 127.22 2fuj s LEU 96 Ca 0.06 -0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 2fuj s LEU 96 Cb -0.18 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2fuj s LEU 96 CO 0.11 -0.31 0.86 -0.62 0.23 0.00 0.00 176.35 176.62 2fuj s ASP 97 N -3.83 7.28 0.32 2.29 2.15 -0.90 -0.13 116.67 123.86 2fuj s ASP 97 Ca 0.38 1.54 0.01 0.00 0.43 0.00 0.00 52.55 54.91 2fuj s ASP 97 Cb -0.02 -2.52 0.56 0.00 -0.30 0.00 0.00 42.92 40.65 2fuj s ASP 97 CO 0.22 -0.11 1.97 1.56 -0.17 0.00 0.00 175.17 178.64 2fuj h GLN 98 N 6.21 0.94 0.00 4.34 4.20 -1.60 -2.65 115.11 126.55 2fuj h GLN 98 Ca -0.42 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 2fuj h GLN 98 Cb 1.21 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2fuj h GLN 98 CO 0.73 0.62 -0.26 0.87 -0.67 0.00 0.00 178.83 180.13 2fuj h LYS 99 N 0.97 0.00 -2.03 1.46 1.57 -1.93 -3.41 116.57 113.20 2fuj h LYS 99 Ca 0.30 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.72 2fuj h LYS 99 Cb -0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 2fuj h LYS 99 CO -0.08 0.19 -0.67 0.34 -0.57 0.00 0.00 179.45 178.65 2fuj s ASP 100 N -6.25 1.39 0.00 0.86 -1.08 -1.02 -4.99 116.67 105.57 2fuj s ASP 100 Ca 0.05 -1.28 0.07 0.00 -0.52 0.00 0.00 52.55 50.87 2fuj s ASP 100 Cb 0.06 0.52 0.37 0.00 -1.46 0.00 0.00 42.92 42.41 2fuj s ASP 100 CO 0.71 -0.31 0.97 -0.62 0.52 0.00 0.00 175.17 176.44 2fuj n GLU 101 N 4.64 0.15 0.00 4.34 1.02 -1.10 -0.59 120.64 129.10 2fuj n GLU 101 Ca 0.06 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.46 2fuj n GLU 101 Cb 0.45 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.87 2fuj n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fuj n GLY 102 N -0.65 -1.28 3.55 0.62 0.00 -1.26 -4.68 105.19 101.48 2fuj n GLY 102 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2fuj n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fuj s VAL 103 N -2.87 4.91 -0.33 1.61 1.01 0.24 -5.03 120.40 119.93 2fuj s VAL 103 Ca 0.17 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2fuj s VAL 103 Cb 0.19 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 2fuj s VAL 103 CO 0.57 -0.37 0.19 -0.22 0.00 0.00 0.00 175.10 175.28 2fuj s LEU 104 N 2.64 4.37 0.00 3.92 2.96 -1.26 -2.11 118.68 129.20 2fuj s LEU 104 Ca 0.22 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 2fuj s LEU 104 Cb -0.15 -2.05 -0.23 0.00 0.50 0.00 0.00 46.19 44.26 2fuj s LEU 104 CO 0.16 -0.25 0.83 1.88 -1.32 0.00 0.00 176.35 177.65 2fuj h TYR 105 N 8.42 0.06 -1.58 5.38 -1.99 -1.21 -3.36 116.97 122.69 2fuj h TYR 105 Ca -0.31 -0.05 0.10 0.00 2.00 0.00 0.00 58.73 60.48 2fuj h TYR 105 Cb 1.14 -0.00 -0.23 0.00 2.00 0.00 0.00 36.73 39.64 2fuj h TYR 105 CO 0.63 1.07 0.58 0.45 -0.00 0.00 0.00 178.16 180.89 2fuj s SER 106 N -6.38 -0.34 0.27 3.88 0.15 -1.18 -1.20 113.70 108.91 2fuj s SER 106 Ca -0.04 0.33 0.06 0.00 0.70 0.00 0.00 55.95 57.00 2fuj s SER 106 Cb 0.08 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2fuj s SER 106 CO 0.82 -0.34 0.23 -0.90 1.20 0.00 0.00 173.24 174.26 2fuj n ASP 107 N 0.61 -0.58 0.00 5.45 5.68 -1.13 -0.26 116.55 126.32 2fuj n ASP 107 Ca -0.09 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 2fuj n ASP 107 Cb 0.58 1.38 0.00 0.00 -1.14 0.00 0.00 41.12 41.94 2fuj n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fuj n GLY 108 N -0.52 0.64 3.76 6.12 0.00 -1.19 -0.91 105.19 113.08 2fuj n GLY 108 Ca 0.06 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 2fuj n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fuj s ASN 109 N -4.00 -0.04 -0.05 1.61 4.22 0.13 -1.30 114.94 115.51 2fuj s ASN 109 Ca 0.00 -0.91 0.01 0.00 -2.14 0.00 0.00 52.86 49.82 2fuj s ASN 109 Cb 0.00 0.73 0.02 0.00 1.28 0.00 0.00 41.25 43.28 2fuj s ASN 109 CO 0.00 -1.41 -0.05 -0.69 -2.04 0.00 0.00 177.10 172.91 2fuj s VAL 110 N -3.38 0.56 -0.26 3.54 1.01 -0.01 -0.51 120.40 121.35 2fuj s VAL 110 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 2fuj s VAL 110 Cb -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2fuj s VAL 110 CO 0.10 0.23 0.28 -0.69 0.00 0.00 0.00 175.10 175.02 2fuj s VAL 111 N 0.91 5.25 -0.06 2.92 1.01 0.09 -0.63 120.40 129.89 2fuj s VAL 111 Ca -0.11 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2fuj s VAL 111 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2fuj s VAL 111 CO 0.00 0.23 -0.10 -0.69 0.00 0.00 0.00 175.10 174.54 2fuj s VAL 112 N 1.69 3.44 0.05 2.92 1.01 0.27 -0.38 120.40 129.39 2fuj s VAL 112 Ca 0.12 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2fuj s VAL 112 Cb -0.15 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2fuj s VAL 112 CO 0.09 0.59 -0.11 0.68 0.00 0.00 0.00 175.10 176.36 2fuj s VAL 113 N -0.75 0.81 -0.45 2.92 -7.23 -0.44 -0.33 120.40 114.92 2fuj s VAL 113 Ca 0.12 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 2fuj s VAL 113 Cb -0.11 -0.80 0.09 0.00 0.56 0.00 0.00 36.38 36.12 2fuj s VAL 113 CO 0.01 -0.22 0.33 0.26 -0.31 0.00 0.00 175.10 175.17 2fuj s TRP 114 N -1.14 3.34 0.00 2.82 0.52 -1.06 -0.25 118.94 123.18 2fuj s TRP 114 Ca -0.04 -1.52 0.00 0.00 0.02 0.00 0.00 56.10 54.56 2fuj s TRP 114 Cb -0.09 -3.23 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 2fuj s TRP 114 CO 0.01 -0.90 0.00 -0.89 0.02 0.00 0.00 176.95 175.19 2fuj n ILE 115 N 4.99 0.00 -2.40 2.03 5.41 -1.04 -1.52 119.36 126.84 2fuj n ILE 115 Ca -0.10 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.55 2fuj n ILE 115 Cb 0.42 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.36 2fuj n ILE 115 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2fuj n ASP 116 N 0.00 -3.40 0.00 4.38 -0.08 -1.26 -4.49 116.55 111.69 2fuj n ASP 116 Ca 0.00 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2fuj n ASP 116 Cb 0.00 -2.49 0.00 0.00 2.34 0.00 0.00 41.12 40.97 2fuj n ASP 116 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2fuj n THR 117 N -3.90 0.00 -3.66 5.18 -1.04 -1.26 -5.12 114.28 104.48 2fuj n THR 117 Ca -0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 2fuj n THR 117 Cb 0.57 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.00 2fuj n THR 117 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2fuj s GLN 118 N 0.00 0.82 0.58 -2.82 0.74 -1.26 -5.15 119.66 112.56 2fuj s GLN 118 Ca 0.00 0.05 -0.20 0.00 0.05 0.00 0.00 55.36 55.27 2fuj s GLN 118 Cb 0.00 0.38 -0.05 0.00 1.10 0.00 0.00 33.01 34.44 2fuj s GLN 118 CO 0.00 -0.23 1.06 0.25 -0.55 0.00 0.00 175.29 175.82 2fuj n THR 119 N 1.24 3.70 -3.28 -0.34 -2.24 -1.26 -4.37 114.28 107.72 2fuj n THR 119 Ca -0.20 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.11 2fuj n THR 119 Cb 0.56 -1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 2fuj n THR 119 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2fuj s GLY 120 N -1.15 -0.17 0.00 3.38 0.00 -0.57 -4.96 107.32 103.85 2fuj s GLY 120 Ca 0.74 3.06 0.00 0.00 0.00 0.00 0.00 44.72 48.52 2fuj s GLY 120 CO 0.48 3.43 0.07 1.17 0.00 0.00 0.00 173.10 178.25 2fuj n LYS 121 N 5.05 0.00 0.00 2.90 3.00 -1.26 -4.61 118.16 123.24 2fuj n LYS 121 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2fuj n LYS 121 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 2fuj n LYS 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85