#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iux s ARG 29 N 0.00 2.39 0.45 7.34 0.52 -0.62 -1.40 118.95 127.62 3iux s ARG 29 Ca 0.00 -1.29 -0.24 0.00 -0.52 0.00 0.00 55.73 53.68 3iux s ARG 29 Cb 0.00 -3.13 -0.08 0.00 0.52 0.00 0.00 34.95 32.26 3iux s ARG 29 CO 0.00 -0.62 1.21 -2.14 0.02 0.00 0.00 175.30 173.78 3iux s PRO 30 N 1.22 3.80 0.97 3.54 0.02 -1.26 -1.13 135.00 142.16 3iux s PRO 30 Ca -0.06 1.91 -0.15 0.00 0.02 0.00 0.00 61.00 62.72 3iux s PRO 30 Cb -0.20 -2.52 0.18 0.00 0.02 0.00 0.00 34.50 31.98 3iux s PRO 30 CO -0.02 -0.56 1.21 0.15 -0.33 0.00 0.00 177.00 177.45 3iux s LYS 31 N -2.54 0.65 0.21 5.54 1.02 -0.22 -4.54 119.74 119.86 3iux s LYS 31 Ca 0.62 -0.07 -0.10 0.00 0.02 0.00 0.00 55.97 56.44 3iux s LYS 31 Cb -0.32 -1.81 0.18 0.00 -0.52 0.00 0.00 37.83 35.36 3iux s LYS 31 CO 0.40 -2.46 1.86 -1.35 -0.92 0.00 0.00 175.35 172.87 3iux h PRO 32 N -1.68 0.87 -0.07 -1.68 0.11 -1.95 0.22 132.00 127.83 3iux h PRO 32 Ca -0.46 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.37 3iux h PRO 32 Cb 1.29 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3iux h PRO 32 CO 0.48 0.58 -0.85 -0.07 -0.21 0.00 0.00 178.00 177.93 3iux h LEU 33 N 0.90 0.72 -0.81 2.35 3.38 -1.94 -0.94 115.31 118.96 3iux h LEU 33 Ca 0.28 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3iux h LEU 33 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3iux h LEU 33 CO -0.10 1.30 -0.09 0.25 0.09 0.00 0.00 178.44 179.89 3iux h LEU 34 N 0.38 0.78 -0.61 1.67 5.85 -1.76 -0.80 115.31 120.82 3iux h LEU 34 Ca -0.07 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3iux h LEU 34 Cb 1.47 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3iux h LEU 34 CO 0.16 0.90 0.39 0.25 -0.34 0.00 0.00 178.44 179.81 3iux h LEU 35 N 0.72 0.67 -0.45 2.25 5.85 -0.40 -0.17 115.31 123.78 3iux h LEU 35 Ca 0.13 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3iux h LEU 35 Cb 0.57 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3iux h LEU 35 CO 0.04 0.48 0.29 0.50 -0.34 0.00 0.00 178.44 179.41 3iux h LYS 36 N 0.80 0.58 -0.19 1.25 3.64 -0.79 -0.84 116.57 121.01 3iux h LYS 36 Ca 0.23 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3iux h LYS 36 Cb -0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3iux h LYS 36 CO -0.06 0.38 0.09 1.25 -2.27 0.00 0.00 179.45 178.84 3iux h LEU 37 N 0.60 0.14 -0.58 5.20 6.46 -0.74 -1.44 115.31 124.94 3iux h LEU 37 Ca 0.17 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3iux h LEU 37 Cb -0.05 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 3iux h LEU 37 CO -0.05 0.11 0.39 -0.07 -0.62 0.00 0.00 178.44 178.20 3iux h LEU 38 N 0.20 0.67 -1.41 2.25 3.38 -0.75 -1.91 115.31 117.73 3iux h LEU 38 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3iux h LEU 38 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3iux h LEU 38 CO -0.05 0.48 -0.09 0.11 0.09 0.00 0.00 178.44 178.99 3iux h LYS 39 N 0.79 0.00 0.00 1.13 1.57 -0.96 0.16 116.57 119.26 3iux h LYS 39 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3iux h LYS 39 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3iux h LYS 39 CO -0.05 0.09 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 3iux h SER 40 N 0.00 0.00 -0.02 0.86 4.64 -0.42 -3.10 113.55 115.51 3iux h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iux h SER 40 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3iux h SER 40 CO 0.01 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.52 3iux n VAL 41 N -2.50 1.05 0.00 0.95 3.14 -0.94 -4.95 118.33 115.08 3iux n VAL 41 Ca 0.03 -1.06 0.00 0.00 -2.96 0.00 0.00 64.34 60.35 3iux n VAL 41 Cb 0.33 0.46 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 3iux n VAL 41 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3iux n GLY 42 N -0.48 1.46 3.77 7.55 0.00 -1.06 -4.98 105.19 111.44 3iux n GLY 42 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3iux n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iux s ALA 43 N -2.00 3.17 -1.77 4.61 0.00 0.00 -4.91 121.76 120.85 3iux s ALA 43 Ca 0.00 1.15 0.15 0.00 0.00 0.00 0.00 51.96 53.26 3iux s ALA 43 Cb 0.00 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 19.86 3iux s ALA 43 CO 0.00 -0.78 1.08 1.04 0.00 0.00 0.00 175.76 177.10 3iux n GLN 44 N -0.04 1.57 -3.33 0.00 1.13 -1.26 -4.22 117.38 111.23 3iux n GLN 44 Ca 0.05 -1.63 -0.08 0.00 -1.94 0.00 0.00 57.00 53.39 3iux n GLN 44 Cb 0.45 -1.32 0.01 0.00 0.11 0.00 0.00 30.24 29.50 3iux n GLN 44 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3iux n LYS 45 N 0.88 0.87 -0.00 -1.09 2.85 -1.26 -5.08 118.16 115.33 3iux n LYS 45 Ca 0.11 -1.93 0.09 0.00 -1.05 0.00 0.00 58.31 55.53 3iux n LYS 45 Cb 0.41 2.28 -0.11 0.00 -0.65 0.00 0.00 35.03 36.96 3iux n LYS 45 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3iux n ASP 46 N -1.49 0.85 -4.07 -5.58 8.00 -1.26 -4.95 116.55 108.04 3iux n ASP 46 Ca -0.06 -0.83 -0.20 0.00 0.71 0.00 0.00 54.79 54.41 3iux n ASP 46 Cb 0.49 1.11 -0.15 0.00 -0.02 0.00 0.00 41.12 42.55 3iux n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iux s THR 47 N -2.83 0.92 0.05 -3.53 -4.23 -1.26 -4.16 115.64 100.60 3iux s THR 47 Ca 0.05 -0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.96 3iux s THR 47 Cb 0.14 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 3iux s THR 47 CO 0.77 0.21 0.04 -0.31 -0.54 0.00 0.00 174.62 174.79 3iux s TYR 48 N -0.36 0.36 0.59 3.99 1.51 -0.50 -4.98 117.35 117.96 3iux s TYR 48 Ca 0.04 -0.81 -0.10 0.00 -1.01 0.00 0.00 57.07 55.19 3iux s TYR 48 Cb -0.05 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.51 3iux s TYR 48 CO -0.00 -0.40 0.98 0.95 -1.11 0.00 0.00 175.55 175.97 3iux s THR 49 N -3.45 4.68 0.22 -0.71 -4.23 -1.26 -0.46 115.64 110.42 3iux s THR 49 Ca 0.02 0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 3iux s THR 49 Cb 0.04 -3.84 0.17 0.00 1.34 0.00 0.00 72.50 70.21 3iux s THR 49 CO -0.08 -1.05 1.81 -0.03 -0.54 0.00 0.00 174.62 174.72 3iux h MET 50 N -0.21 0.70 -0.65 3.99 4.05 -1.99 -1.08 114.93 119.73 3iux h MET 50 Ca -0.45 -0.04 0.06 0.00 -0.28 0.00 0.00 59.70 58.99 3iux h MET 50 Cb 1.20 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.78 3iux h MET 50 CO 0.62 0.46 0.35 -0.22 0.23 0.00 0.00 176.91 178.35 3iux h LYS 51 N 0.72 0.63 -0.42 0.39 3.64 -1.99 -0.21 116.57 119.33 3iux h LYS 51 Ca 0.34 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3iux h LYS 51 Cb 0.27 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3iux h LYS 51 CO -0.22 0.42 0.18 0.93 -2.27 0.00 0.00 179.45 178.49 3iux h GLU 52 N 0.65 0.62 -0.23 1.90 5.08 -1.74 -0.16 114.58 120.71 3iux h GLU 52 Ca 0.30 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3iux h GLU 52 Cb 0.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3iux h GLU 52 CO -0.19 0.57 0.14 0.28 -1.00 0.00 0.00 179.01 178.81 3iux h VAL 53 N 0.53 1.04 -0.83 3.13 2.07 -0.68 -0.39 116.25 121.13 3iux h VAL 53 Ca 0.14 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3iux h VAL 53 Cb 0.17 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3iux h VAL 53 CO -0.01 0.05 0.48 -0.07 0.02 0.00 0.00 177.57 178.04 3iux h LEU 54 N 0.30 1.02 0.10 2.57 -0.00 -0.98 -0.77 115.31 117.56 3iux h LEU 54 Ca 0.09 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 3iux h LEU 54 Cb -0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.38 3iux h LEU 54 CO -0.03 0.81 -0.05 0.15 -0.00 0.00 0.00 178.44 179.32 3iux h PHE 55 N 1.15 -0.13 -0.46 1.13 3.57 -0.45 -1.65 116.94 120.11 3iux h PHE 55 Ca 0.30 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 3iux h PHE 55 Cb -0.00 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3iux h PHE 55 CO 0.00 0.03 0.02 1.88 -2.23 0.00 0.00 178.31 178.02 3iux h TYR 56 N -0.26 0.78 -0.89 0.41 0.05 -0.99 -0.79 116.97 115.27 3iux h TYR 56 Ca -0.01 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.70 3iux h TYR 56 Cb 0.22 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 3iux h TYR 56 CO -0.03 0.71 0.58 1.25 -1.05 0.00 0.00 178.16 179.62 3iux h LEU 57 N 0.70 0.97 -0.70 3.88 5.85 -0.95 0.23 115.31 125.28 3iux h LEU 57 Ca 0.14 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3iux h LEU 57 Cb 0.39 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3iux h LEU 57 CO 0.01 0.67 0.12 1.23 -0.34 0.00 0.00 178.44 180.13 3iux h GLY 58 N 1.13 1.20 1.61 3.75 0.00 -0.68 -1.94 103.07 108.13 3iux h GLY 58 Ca 0.35 -0.79 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3iux h GLY 58 CO -0.11 0.73 -0.30 1.46 0.00 0.00 0.00 176.54 178.32 3iux h GLN 59 N 1.04 0.45 -0.49 4.80 1.08 -0.68 -1.52 115.11 119.80 3iux h GLN 59 Ca 0.21 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3iux h GLN 59 Cb 0.43 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3iux h GLN 59 CO 0.01 0.71 0.26 -0.92 -0.95 0.00 0.00 178.83 177.93 3iux h TYR 60 N 0.39 0.69 -0.67 2.96 3.20 -0.55 0.19 116.97 123.18 3iux h TYR 60 Ca 0.05 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3iux h TYR 60 Cb 0.72 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 3iux h TYR 60 CO 0.02 0.53 0.13 0.82 -1.64 0.00 0.00 178.16 178.02 3iux h ILE 61 N 0.65 1.26 -0.20 1.81 2.04 -1.06 -1.64 117.51 120.37 3iux h ILE 61 Ca 0.17 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 3iux h ILE 61 Cb 0.08 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3iux h ILE 61 CO -0.03 0.38 -0.09 0.24 0.00 0.00 0.00 178.15 178.65 3iux h MET 62 N 1.01 0.42 -0.45 2.37 2.86 -1.02 -1.20 114.93 118.93 3iux h MET 62 Ca 0.20 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3iux h MET 62 Cb 0.41 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3iux h MET 62 CO 0.01 0.71 0.25 0.00 1.06 0.00 0.00 176.91 178.94 3iux h THR 63 N 0.12 1.14 -0.05 2.22 1.03 -0.45 -1.41 112.91 115.50 3iux h THR 63 Ca 0.05 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 3iux h THR 63 Cb 0.58 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 3iux h THR 63 CO 0.03 0.15 0.00 0.29 -0.01 0.00 0.00 175.52 175.98 3iux n LYS 64 N -4.43 1.95 -3.69 0.00 5.02 -0.63 -4.96 118.16 111.42 3iux n LYS 64 Ca 0.04 -1.39 -0.21 0.00 -2.02 0.00 0.00 58.31 54.72 3iux n LYS 64 Cb 0.09 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3iux n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iux n ARG 65 N 0.68 -4.78 0.00 1.97 1.74 -0.53 -4.89 116.66 110.85 3iux n ARG 65 Ca 0.17 0.62 0.13 0.00 -0.77 0.00 0.00 57.85 58.00 3iux n ARG 65 Cb 0.45 -5.16 0.39 0.00 -1.02 0.00 0.00 32.46 27.12 3iux n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3iux n LEU 66 N -4.25 0.42 -4.87 0.55 4.77 -0.53 -4.89 117.00 108.19 3iux n LEU 66 Ca -0.29 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 3iux n LEU 66 Cb 0.68 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3iux n LEU 66 CO 0.68 0.10 0.27 -0.72 -1.33 0.00 0.00 177.39 176.39 3iux s TYR 67 N -2.91 3.43 0.31 -1.77 -0.85 -1.26 -0.76 117.35 113.54 3iux s TYR 67 Ca 0.15 0.91 -0.29 0.00 -0.52 0.00 0.00 57.07 57.32 3iux s TYR 67 Cb 0.18 -2.30 -0.10 0.00 0.38 0.00 0.00 41.96 40.12 3iux s TYR 67 CO 0.62 0.18 1.25 0.34 -1.52 0.00 0.00 175.55 176.43 3iux s ASP 68 N -2.56 6.91 0.28 -0.18 2.15 0.32 -4.93 116.67 118.65 3iux s ASP 68 Ca 0.48 2.57 0.08 0.00 0.43 0.00 0.00 52.55 56.11 3iux s ASP 68 Cb -0.11 -2.64 0.40 0.00 -0.30 0.00 0.00 42.92 40.27 3iux s ASP 68 CO 0.23 -0.43 1.65 -0.33 -0.17 0.00 0.00 175.17 176.12 3iux h GLU 69 N 3.55 0.14 0.06 4.34 4.39 -1.96 -3.27 114.58 121.84 3iux h GLU 69 Ca -0.48 -0.08 -0.36 0.00 0.34 0.00 0.00 59.36 58.78 3iux h GLU 69 Cb 1.22 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 3iux h GLU 69 CO 0.66 0.63 -2.08 1.63 -1.16 0.00 0.00 179.01 178.69 3iux n LYS 70 N -3.93 0.70 -3.89 2.33 5.02 -1.26 -4.65 118.16 112.49 3iux n LYS 70 Ca -0.02 0.22 -0.30 0.00 -2.02 0.00 0.00 58.31 56.19 3iux n LYS 70 Cb 0.55 -1.67 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 3iux n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iux s GLN 71 N -2.55 1.75 0.00 1.97 -0.21 -1.25 -4.99 119.66 114.38 3iux s GLN 71 Ca -0.20 -2.39 0.24 0.00 0.02 0.00 0.00 55.36 53.03 3iux s GLN 71 Cb 0.07 -3.04 1.45 0.00 1.00 0.00 0.00 33.01 32.50 3iux s GLN 71 CO 0.75 -1.11 1.88 1.04 -2.12 0.00 0.00 175.29 175.73 3iux n GLN 72 N 3.32 0.91 0.01 2.91 6.02 -1.23 -1.38 117.38 127.94 3iux n GLN 72 Ca 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.18 3iux n GLN 72 Cb 0.33 -1.42 0.44 0.00 1.02 0.00 0.00 30.24 30.61 3iux n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3iux n HIS 73 N -0.92 0.09 -3.12 1.08 1.44 -1.26 -4.64 115.22 107.89 3iux n HIS 73 Ca 0.18 0.03 -0.39 0.00 -2.01 0.00 0.00 57.72 55.52 3iux n HIS 73 Cb 0.08 -0.44 -0.05 0.00 0.12 0.00 0.00 29.99 29.70 3iux n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3iux s ILE 74 N -3.02 5.06 -0.13 0.61 -1.09 -0.48 0.14 121.20 122.29 3iux s ILE 74 Ca 0.12 1.25 0.02 0.00 -2.23 0.00 0.00 60.65 59.82 3iux s ILE 74 Cb 0.18 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3iux s ILE 74 CO 0.61 0.21 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.63 3iux s VAL 75 N 1.20 2.19 -0.24 2.92 1.01 0.08 -0.52 120.40 127.05 3iux s VAL 75 Ca 0.32 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3iux s VAL 75 Cb -0.16 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3iux s VAL 75 CO 0.13 0.55 0.55 -0.31 0.00 0.00 0.00 175.10 176.02 3iux s TYR 76 N 0.68 3.31 -0.38 5.22 2.02 0.06 -1.81 117.35 126.45 3iux s TYR 76 Ca -0.10 0.74 0.07 0.00 -0.37 0.00 0.00 57.07 57.41 3iux s TYR 76 Cb -0.16 -2.74 -0.07 0.00 -0.40 0.00 0.00 41.96 38.59 3iux s TYR 76 CO 0.01 -0.23 0.34 0.00 -1.57 0.00 0.00 175.55 174.10 3iux n SER 78 N -1.07 3.00 -3.01 0.00 7.64 -0.97 -2.40 113.62 116.82 3iux n SER 78 Ca 0.02 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 60.86 3iux n SER 78 Cb 0.12 -1.50 0.03 0.00 -1.01 0.00 0.00 64.21 61.85 3iux n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3iux n ASN 79 N 1.19 -6.00 -3.99 6.43 5.15 -1.26 -4.95 115.26 111.84 3iux n ASN 79 Ca 0.06 -0.28 -0.11 0.00 -0.60 0.00 0.00 54.58 53.65 3iux n ASN 79 Cb 0.35 -4.86 -0.12 0.00 -0.53 0.00 0.00 39.78 34.63 3iux n ASN 79 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3iux s ASP 80 N -2.67 0.44 0.34 1.20 2.15 -1.01 -5.03 116.67 112.09 3iux s ASP 80 Ca 0.29 -0.40 0.13 0.00 0.43 0.00 0.00 52.55 53.00 3iux s ASP 80 Cb -0.13 0.05 1.05 0.00 -0.30 0.00 0.00 42.92 43.59 3iux s ASP 80 CO 0.36 -0.19 1.67 0.25 -0.17 0.00 0.00 175.17 177.10 3iux h LEU 81 N 4.95 0.53 -0.89 -1.34 5.85 -1.93 -0.05 115.31 122.44 3iux h LEU 81 Ca -0.32 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3iux h LEU 81 Cb 1.21 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 3iux h LEU 81 CO 0.43 -0.10 0.41 0.25 -0.34 0.00 0.00 178.44 179.10 3iux h LEU 82 N 0.36 1.10 -0.82 2.25 5.85 -1.96 -1.58 115.31 120.51 3iux h LEU 82 Ca 0.72 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 59.24 3iux h LEU 82 Cb 1.59 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3iux h LEU 82 CO -0.59 0.92 0.08 1.23 -0.34 0.00 0.00 178.44 179.74 3iux h GLY 83 N 1.21 1.04 0.90 3.75 0.00 -0.76 -1.04 103.07 108.16 3iux h GLY 83 Ca 0.29 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 46.97 3iux h GLY 83 CO -0.04 0.63 0.48 -0.55 0.00 0.00 0.00 176.54 177.06 3iux h ASP 84 N 0.90 0.80 0.84 0.19 3.32 -0.71 0.13 116.42 121.89 3iux h ASP 84 Ca 0.18 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 3iux h ASP 84 Cb 0.42 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3iux h ASP 84 CO 0.01 0.56 -1.25 0.17 -1.72 0.00 0.00 179.24 177.02 3iux h LEU 85 N 0.95 0.00 0.00 1.55 8.10 -1.08 -3.31 115.31 121.52 3iux h LEU 85 Ca 0.29 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 58.09 3iux h LEU 85 Cb -0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.17 3iux h LEU 85 CO -0.10 0.52 -1.14 -0.26 -4.11 0.00 0.00 178.44 173.35 3iux h PHE 86 N 0.00 0.00 -0.29 0.17 -1.00 -1.16 -3.48 116.94 111.18 3iux h PHE 86 Ca -0.13 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.59 3iux h PHE 86 Cb 1.51 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.05 3iux h PHE 86 CO 0.00 0.80 -0.07 0.41 -1.61 0.00 0.00 178.31 177.84 3iux n GLY 87 N 1.38 0.45 3.12 -1.45 0.00 0.43 -5.00 105.19 104.12 3iux n GLY 87 Ca -0.05 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 3iux n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iux s VAL 88 N -2.14 0.67 -0.35 1.61 -7.23 -1.23 -5.05 120.40 106.68 3iux s VAL 88 Ca 0.00 -1.48 0.22 0.00 -1.81 0.00 0.00 61.98 58.91 3iux s VAL 88 Cb 0.00 -1.12 0.20 0.00 0.56 0.00 0.00 36.38 36.02 3iux s VAL 88 CO 0.00 -0.58 1.39 1.55 -0.31 0.00 0.00 175.10 177.15 3iux h PRO 89 N 3.80 0.00 -3.01 4.82 0.13 -1.90 -3.42 132.00 132.42 3iux h PRO 89 Ca -0.36 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3iux h PRO 89 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3iux h PRO 89 CO 0.51 0.03 0.22 -1.54 -0.23 0.00 0.00 178.00 176.99 3iux s SER 90 N -5.93 -0.34 0.22 1.44 1.04 -1.26 -0.58 113.70 108.30 3iux s SER 90 Ca 0.04 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 3iux s SER 90 Cb 0.07 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.91 3iux s SER 90 CO 0.72 -1.25 0.58 0.72 0.98 0.00 0.00 173.24 175.00 3iux s PHE 91 N -3.88 -0.12 -0.14 5.02 -0.12 -0.75 -4.95 117.98 113.04 3iux s PHE 91 Ca 0.09 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 3iux s PHE 91 Cb -0.05 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 3iux s PHE 91 CO 0.02 -1.02 0.01 0.45 -0.05 0.00 0.00 175.22 174.63 3iux s SER 92 N -2.89 5.20 0.63 1.98 0.15 -1.26 -0.74 113.70 116.76 3iux s SER 92 Ca 0.11 0.02 0.35 0.00 0.70 0.00 0.00 55.95 57.13 3iux s SER 92 Cb -0.02 -1.75 2.02 0.00 -1.71 0.00 0.00 66.02 64.55 3iux s SER 92 CO 0.01 0.24 2.24 0.58 1.20 0.00 0.00 173.24 177.51 3iux h VAL 93 N 4.75 0.27 0.00 4.45 2.07 -0.68 -1.74 116.25 125.37 3iux h VAL 93 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3iux h VAL 93 Cb 1.18 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3iux h VAL 93 CO 0.63 0.00 0.00 0.11 0.02 0.00 0.00 177.57 178.33 3iux h LYS 94 N 0.00 0.00 -4.08 1.57 1.57 -1.95 -3.36 116.57 110.33 3iux h LYS 94 Ca 0.02 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.06 3iux h LYS 94 Cb 0.16 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.35 3iux h LYS 94 CO -0.00 0.00 2.28 0.39 -0.57 0.00 0.00 179.45 181.55 3iux n GLU 95 N -2.74 3.31 -0.02 3.15 1.02 -0.66 -4.84 120.64 119.87 3iux n GLU 95 Ca 0.00 -3.27 -0.11 0.00 -0.02 0.00 0.00 57.16 53.76 3iux n GLU 95 Cb 0.22 -3.11 -0.06 0.00 -0.02 0.00 0.00 31.44 28.46 3iux n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3iux h HIS 96 N 6.21 0.15 -0.70 -0.32 3.86 -1.85 -1.61 115.15 120.89 3iux h HIS 96 Ca 0.44 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 3iux h HIS 96 Cb 0.69 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3iux h HIS 96 CO 1.31 0.25 0.40 -0.09 0.86 0.00 0.00 177.93 180.67 3iux h ARG 97 N 0.01 0.96 -0.77 2.45 2.43 -1.95 -1.45 114.38 116.06 3iux h ARG 97 Ca 0.03 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3iux h ARG 97 Cb 0.16 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3iux h ARG 97 CO -0.00 0.70 0.49 -0.22 -1.51 0.00 0.00 179.97 179.43 3iux h LYS 98 N 0.96 0.93 -0.25 0.20 3.64 -1.89 -0.40 116.57 119.76 3iux h LYS 98 Ca 0.25 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3iux h LYS 98 Cb 0.00 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3iux h LYS 98 CO -0.04 0.62 -0.07 0.82 -2.27 0.00 0.00 179.45 178.50 3iux h ILE 99 N 0.96 1.29 -0.35 2.00 2.04 -0.86 -1.19 117.51 121.40 3iux h ILE 99 Ca 0.31 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 3iux h ILE 99 Cb 0.01 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3iux h ILE 99 CO -0.11 0.34 0.11 1.88 0.00 0.00 0.00 178.15 180.37 3iux h TYR 100 N 0.23 0.50 -0.36 1.37 0.05 -1.00 0.14 116.97 117.90 3iux h TYR 100 Ca 0.06 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 3iux h TYR 100 Cb 0.55 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3iux h TYR 100 CO 0.05 0.42 -0.01 1.15 -1.05 0.00 0.00 178.16 178.72 3iux h THR 101 N 0.50 1.26 -0.46 -2.88 2.02 -0.82 0.24 112.91 112.76 3iux h THR 101 Ca 0.12 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.18 3iux h THR 101 Cb 0.15 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3iux h THR 101 CO -0.01 0.33 -0.19 0.24 0.37 0.00 0.00 175.52 176.26 3iux h MET 102 N 0.46 0.92 0.15 6.66 2.86 -0.53 -1.26 114.93 124.19 3iux h MET 102 Ca 0.10 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3iux h MET 102 Cb 0.48 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3iux h MET 102 CO 0.02 1.03 -0.07 0.82 1.06 0.00 0.00 176.91 179.76 3iux h ILE 103 N 0.80 0.86 0.00 -1.22 2.04 -0.45 -3.05 117.51 116.49 3iux h ILE 103 Ca 0.11 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3iux h ILE 103 Cb 0.74 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3iux h ILE 103 CO 0.06 0.01 -0.09 1.88 0.00 0.00 0.00 178.15 180.00 3iux h TYR 104 N -0.22 0.00 0.00 1.37 -1.99 -0.32 0.36 116.97 116.18 3iux h TYR 104 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3iux h TYR 104 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3iux h TYR 104 CO -0.06 0.09 0.00 -0.09 -0.00 0.00 0.00 178.16 178.10 3iux h ARG 105 N 0.00 0.00 -0.33 4.88 9.65 -1.12 -2.34 114.38 125.12 3iux h ARG 105 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3iux h ARG 105 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3iux h ARG 105 CO 0.01 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.87 3iux n ASN 106 N -2.65 3.72 -4.16 -3.80 3.02 0.11 -4.96 115.26 106.54 3iux n ASN 106 Ca 0.00 -2.63 -0.21 0.00 -0.03 0.00 0.00 54.58 51.71 3iux n ASN 106 Cb 0.20 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.78 3iux n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iux s LEU 107 N -2.14 2.16 -0.36 3.41 1.43 -0.88 -1.06 118.68 121.24 3iux s LEU 107 Ca 0.37 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 3iux s LEU 107 Cb 0.27 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.82 3iux s LEU 107 CO 0.13 0.06 0.23 -0.69 0.23 0.00 0.00 176.35 176.31 3iux s VAL 108 N -0.82 5.03 0.00 -1.59 1.01 -0.28 -4.90 120.40 118.85 3iux s VAL 108 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3iux s VAL 108 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3iux s VAL 108 CO 0.01 -0.11 0.39 0.52 0.00 0.00 0.00 175.10 175.91