#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iib s LYS 4 N 0.00 4.26 -0.32 1.97 -0.14 -0.34 -4.79 119.74 120.38 1iib s LYS 4 Ca 0.00 0.93 -0.13 0.00 -1.36 0.00 0.00 55.97 55.42 1iib s LYS 4 Cb 0.00 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.41 1iib s LYS 4 CO 0.00 0.29 0.25 -1.01 -0.76 0.00 0.00 175.35 174.12 1iib s HIS 5 N -1.69 3.22 -0.31 3.18 3.76 -1.26 -0.23 115.29 121.96 1iib s HIS 5 Ca 0.48 -0.07 -0.07 0.00 -0.15 0.00 0.00 55.06 55.25 1iib s HIS 5 Cb -0.15 -2.49 0.02 0.00 1.11 0.00 0.00 32.58 31.07 1iib s HIS 5 CO 0.20 -0.31 0.10 0.42 -0.85 0.00 0.00 174.74 174.29 1iib s ILE 6 N 1.80 4.02 -0.16 0.60 1.01 0.77 -0.10 121.20 129.13 1iib s ILE 6 Ca 0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1iib s ILE 6 Cb -0.17 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1iib s ILE 6 CO 0.11 0.01 -0.07 -0.31 0.00 0.00 0.00 174.94 174.67 1iib s TYR 7 N 1.49 2.94 -0.13 3.97 2.02 -1.05 -1.97 117.35 124.62 1iib s TYR 7 Ca 0.02 -0.54 -0.05 0.00 -0.37 0.00 0.00 57.07 56.13 1iib s TYR 7 Cb -0.18 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1iib s TYR 7 CO 0.03 -0.19 0.05 -0.51 -1.57 0.00 0.00 175.55 173.36 1iib s LEU 8 N 0.57 3.82 -0.10 -1.29 1.02 -0.15 -1.44 118.68 121.11 1iib s LEU 8 Ca -0.05 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.30 1iib s LEU 8 Cb -0.15 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.15 1iib s LEU 8 CO 0.03 0.30 -0.17 -0.36 0.02 0.00 0.00 176.35 176.17 1iib s PHE 9 N -0.40 2.01 0.15 0.29 0.08 -0.32 -0.77 117.98 119.01 1iib s PHE 9 Ca 0.09 -0.88 -0.20 0.00 0.12 0.00 0.00 56.93 56.06 1iib s PHE 9 Cb -0.12 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1iib s PHE 9 CO 0.02 -0.42 0.53 0.45 -0.10 0.00 0.00 175.22 175.70 1iib s SER 10 N 0.75 -0.43 0.08 1.36 0.15 -0.90 -1.09 113.70 113.61 1iib s SER 10 Ca -0.11 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 56.64 1iib s SER 10 Cb -0.16 0.56 0.36 0.00 -1.71 0.00 0.00 66.02 65.07 1iib s SER 10 CO 0.02 -0.94 1.32 -1.54 1.20 0.00 0.00 173.24 173.30 1iib n SER 11 N -0.33 0.63 -4.38 5.45 3.41 -1.26 -2.96 113.62 114.19 1iib n SER 11 Ca -0.16 0.01 -0.45 0.00 -0.26 0.00 0.00 58.87 58.02 1iib n SER 11 Cb 0.64 0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1iib n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iib s ALA 12 N -3.13 4.52 0.16 7.33 0.00 -1.26 -4.94 121.76 124.43 1iib s ALA 12 Ca 0.07 -3.70 -0.24 0.00 0.00 0.00 0.00 51.96 48.09 1iib s ALA 12 Cb 0.14 -3.75 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1iib s ALA 12 CO 0.72 -2.38 1.60 0.78 0.00 0.00 0.00 175.76 176.48 1iib h GLY 13 N 7.62 -0.32 0.95 0.00 0.00 -1.96 -2.72 103.07 106.64 1iib h GLY 13 Ca 0.22 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.96 1iib h GLY 13 CO 1.09 -0.21 -0.19 -0.33 0.00 0.00 0.00 176.54 176.90 1iib h MET 14 N -0.29 -0.52 -0.29 4.80 2.86 -1.99 -1.50 114.93 118.00 1iib h MET 14 Ca 0.16 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1iib h MET 14 Cb 0.55 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1iib h MET 14 CO -0.51 -0.31 0.06 0.66 1.06 0.00 0.00 176.91 177.86 1iib h SER 15 N -0.60 0.39 -0.16 1.22 4.64 -2.00 -0.83 113.55 116.22 1iib h SER 15 Ca -0.06 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1iib h SER 15 Cb 0.45 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1iib h SER 15 CO 0.09 0.41 -0.08 0.74 -0.87 0.00 0.00 176.83 177.12 1iib h THR 16 N 0.42 1.31 -0.44 2.95 2.02 -1.43 -1.18 112.91 116.57 1iib h THR 16 Ca 0.10 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 1iib h THR 16 Cb 0.19 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1iib h THR 16 CO -0.00 0.33 0.16 0.28 0.37 0.00 0.00 175.52 176.66 1iib h SER 17 N 0.00 0.57 -0.46 4.18 0.02 -0.94 -0.02 113.55 116.90 1iib h SER 17 Ca 0.03 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1iib h SER 17 Cb 0.56 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1iib h SER 17 CO 0.02 0.53 -0.24 0.25 -1.14 0.00 0.00 176.83 176.26 1iib h LEU 18 N 0.62 1.01 -0.50 5.07 5.85 -1.01 -1.87 115.31 124.48 1iib h LEU 18 Ca 0.15 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1iib h LEU 18 Cb 0.15 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1iib h LEU 18 CO -0.01 1.19 0.10 0.25 -0.34 0.00 0.00 178.44 179.63 1iib h LEU 19 N 0.82 0.77 -0.66 2.25 5.85 -0.57 -2.65 115.31 121.13 1iib h LEU 19 Ca 0.10 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1iib h LEU 19 Cb 0.82 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1iib h LEU 19 CO 0.07 0.82 0.41 0.58 -0.34 0.00 0.00 178.44 179.98 1iib h VAL 20 N 0.69 1.09 -0.65 1.05 2.07 -0.91 -0.25 116.25 119.34 1iib h VAL 20 Ca 0.15 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1iib h VAL 20 Cb 0.36 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1iib h VAL 20 CO 0.01 0.15 0.25 0.77 0.02 0.00 0.00 177.57 178.76 1iib h SER 21 N 0.81 0.88 0.16 0.57 4.64 -1.16 -1.07 113.55 118.38 1iib h SER 21 Ca 0.26 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.30 1iib h SER 21 Cb 0.01 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1iib h SER 21 CO -0.10 0.80 -0.57 0.11 -0.87 0.00 0.00 176.83 176.20 1iib h LYS 22 N 0.94 0.43 -0.51 4.77 1.79 -1.07 -2.56 116.57 120.36 1iib h LYS 22 Ca 0.22 -0.28 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 1iib h LYS 22 Cb 0.20 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1iib h LYS 22 CO -0.02 0.88 -0.01 0.52 -1.08 0.00 0.00 179.45 179.74 1iib h MET 23 N 0.33 0.90 -0.68 3.15 2.86 -0.62 -2.41 114.93 118.47 1iib h MET 23 Ca 0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1iib h MET 23 Cb 1.09 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1iib h MET 23 CO 0.10 0.94 0.40 0.00 1.06 0.00 0.00 176.91 179.40 1iib h ARG 24 N 0.77 0.92 -0.36 1.72 3.08 -1.10 0.10 114.38 119.50 1iib h ARG 24 Ca 0.14 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1iib h ARG 24 Cb 0.53 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1iib h ARG 24 CO 0.03 0.65 0.13 0.00 -1.07 0.00 0.00 179.97 179.71 1iib h ALA 25 N 1.51 0.47 -0.50 0.04 0.00 -1.22 -2.13 119.26 117.42 1iib h ALA 25 Ca 0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1iib h ALA 25 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1iib h ALA 25 CO -0.04 0.09 0.07 1.96 0.00 0.00 0.00 179.25 181.33 1iib h GLN 26 N 0.43 0.84 -0.29 0.00 1.08 -0.95 -1.30 115.11 114.93 1iib h GLN 26 Ca 0.12 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1iib h GLN 26 Cb 0.22 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1iib h GLN 26 CO -0.01 0.84 0.11 0.00 -0.95 0.00 0.00 178.83 178.82 1iib h ALA 27 N 0.97 1.66 -0.06 3.87 0.00 -0.88 -1.74 119.26 123.08 1iib h ALA 27 Ca 0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1iib h ALA 27 Cb 0.41 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1iib h ALA 27 CO 0.01 0.27 -0.53 1.49 0.00 0.00 0.00 179.25 180.49 1iib h GLU 28 N 0.40 0.47 -0.99 0.00 4.57 -1.00 0.37 114.58 118.40 1iib h GLU 28 Ca 0.10 -0.42 0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1iib h GLU 28 Cb 0.09 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.72 1iib h GLU 28 CO -0.01 1.06 0.64 -0.22 -1.18 0.00 0.00 179.01 179.31 1iib h LYS 29 N 0.02 1.16 -0.54 1.92 3.64 -0.81 -2.71 116.57 119.25 1iib h LYS 29 Ca -0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1iib h LYS 29 Cb 1.20 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1iib h LYS 29 CO 0.11 0.77 0.00 0.66 -2.27 0.00 0.00 179.45 178.72 1iib n TYR 30 N -4.49 1.21 -3.88 1.91 4.01 -0.69 -4.99 117.16 110.24 1iib n TYR 30 Ca 0.15 -0.63 -0.30 0.00 -0.16 0.00 0.00 57.90 56.96 1iib n TYR 30 Cb 0.15 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1iib n TYR 30 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1iib n GLU 31 N 0.79 -5.18 -2.76 -0.72 1.02 -0.65 -4.94 120.64 108.19 1iib n GLU 31 Ca 0.23 0.58 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 1iib n GLU 31 Cb 0.80 -5.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.74 1iib n GLU 31 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1iib s VAL 32 N -3.26 4.80 -1.34 2.62 1.01 0.03 -4.95 120.40 119.31 1iib s VAL 32 Ca 0.65 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 64.35 1iib s VAL 32 Cb -0.33 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.83 1iib s VAL 32 CO 0.80 -0.02 2.03 -0.81 0.00 0.00 0.00 175.10 177.11 1iib n PRO 33 N 5.30 2.79 -4.15 2.72 -0.04 -1.26 -4.73 135.00 135.62 1iib n PRO 33 Ca 0.08 -2.75 -0.14 0.00 -0.04 0.00 0.00 63.50 60.65 1iib n PRO 33 Cb 0.48 -3.35 -0.11 0.00 -0.04 0.00 0.00 33.50 30.49 1iib n PRO 33 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iib s VAL 34 N 4.07 0.82 -0.15 0.52 -7.23 -1.26 -1.19 120.40 115.98 1iib s VAL 34 Ca 0.51 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1iib s VAL 34 Cb 0.10 -1.22 -0.00 0.00 0.56 0.00 0.00 36.38 35.82 1iib s VAL 34 CO -0.01 -0.55 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.45 1iib s ILE 35 N -2.31 2.67 -0.13 -0.62 1.01 0.68 -4.88 121.20 117.61 1iib s ILE 35 Ca 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1iib s ILE 35 Cb -0.04 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1iib s ILE 35 CO -0.01 0.52 -0.21 -0.63 0.00 0.00 0.00 174.94 174.62 1iib s ILE 36 N 0.73 2.25 0.02 2.92 1.01 -1.26 -0.17 121.20 126.70 1iib s ILE 36 Ca -0.07 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1iib s ILE 36 Cb -0.16 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1iib s ILE 36 CO 0.01 0.54 -0.04 -1.61 0.00 0.00 0.00 174.94 173.84 1iib s GLU 37 N 0.67 0.34 -0.05 2.79 0.41 -0.83 -5.01 118.70 117.02 1iib s GLU 37 Ca -0.10 -0.45 0.01 0.00 -0.41 0.00 0.00 54.97 54.02 1iib s GLU 37 Cb -0.16 -0.14 -0.03 0.00 -1.78 0.00 0.00 34.13 32.01 1iib s GLU 37 CO 0.02 0.02 -0.04 0.00 -0.49 0.00 0.00 175.26 174.78 1iib s ALA 38 N -0.87 3.13 0.09 5.21 0.00 -1.26 -0.98 121.76 127.08 1iib s ALA 38 Ca -0.07 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 1iib s ALA 38 Cb -0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1iib s ALA 38 CO -0.00 0.60 0.10 -0.06 0.00 0.00 0.00 175.76 176.40 1iib s PHE 39 N -0.91 0.44 0.60 0.00 0.08 0.05 -4.94 117.98 113.29 1iib s PHE 39 Ca 0.15 -0.89 -0.14 0.00 0.12 0.00 0.00 56.93 56.16 1iib s PHE 39 Cb -0.11 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.05 1iib s PHE 39 CO 0.04 -0.51 1.04 -1.25 -0.10 0.00 0.00 175.22 174.44 1iib s PRO 40 N -3.93 3.43 0.63 0.24 0.04 -1.26 -2.12 135.00 132.03 1iib s PRO 40 Ca 0.11 1.04 0.34 0.00 0.04 0.00 0.00 61.00 62.53 1iib s PRO 40 Cb 0.06 -2.06 1.92 0.00 0.04 0.00 0.00 34.50 34.47 1iib s PRO 40 CO -0.07 -0.71 2.18 1.05 0.04 0.00 0.00 177.00 179.49 1iib h GLU 41 N 0.24 0.00 0.00 4.56 9.09 -1.85 -2.13 114.58 124.50 1iib h GLU 41 Ca -0.46 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.95 1iib h GLU 41 Cb 1.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1iib h GLU 41 CO 0.59 0.00 -0.01 1.79 0.05 0.00 0.00 179.01 181.43 1iib h THR 42 N 0.00 0.04 -0.36 -1.06 1.35 -1.91 -2.51 112.91 108.45 1iib h THR 42 Ca 0.03 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1iib h THR 42 Cb 0.30 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1iib h THR 42 CO -0.00 0.01 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 1iib n LEU 43 N -3.13 3.32 -0.28 3.87 4.77 -0.80 -4.59 117.00 120.16 1iib n LEU 43 Ca -0.01 -1.42 0.15 0.00 -0.03 0.00 0.00 56.01 54.70 1iib n LEU 43 Cb 0.20 -0.23 0.41 0.00 -2.33 0.00 0.00 43.42 41.46 1iib n LEU 43 CO 0.24 0.71 1.22 0.00 -1.33 0.00 0.00 177.39 178.23 1iib h ALA 44 N 4.49 1.92 0.12 -1.18 0.00 -1.59 0.31 119.26 123.33 1iib h ALA 44 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1iib h ALA 44 Cb 0.95 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iib h ALA 44 CO 0.00 -0.21 -1.36 0.78 0.00 0.00 0.00 179.25 178.46 1iib h GLY 45 N 0.61 0.29 0.13 0.00 0.00 -1.83 -1.81 103.07 100.46 1iib h GLY 45 Ca 0.49 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1iib h GLY 45 CO -0.23 0.65 -0.04 -2.09 0.00 0.00 0.00 176.54 174.82 1iib h GLU 46 N 0.07 0.02 0.10 4.80 4.81 -1.61 -3.36 114.58 119.41 1iib h GLU 46 Ca -0.18 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.76 1iib h GLU 46 Cb 1.99 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1iib h GLU 46 CO 0.18 0.93 -1.19 0.87 -0.73 0.00 0.00 179.01 179.07 1iib h LYS 47 N -0.87 0.25 -0.61 1.92 1.79 -0.60 -3.33 116.57 115.12 1iib h LYS 47 Ca -0.01 -0.41 0.16 0.00 -2.18 0.00 0.00 60.65 58.21 1iib h LYS 47 Cb 0.95 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.72 1iib h LYS 47 CO 0.01 1.18 0.43 0.78 -1.08 0.00 0.00 179.45 180.77 1iib h GLY 48 N 1.70 0.21 1.69 3.86 0.00 -1.41 -1.81 103.07 107.31 1iib h GLY 48 Ca -0.12 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1iib h GLY 48 CO 0.19 0.02 0.14 1.46 0.00 0.00 0.00 176.54 178.35 1iib h GLN 49 N 0.13 0.00 -0.16 4.80 4.20 -1.71 -1.48 115.11 120.89 1iib h GLN 49 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1iib h GLN 49 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1iib h GLN 49 CO -0.04 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.21 1iib n ASN 50 N -3.39 2.79 -4.90 1.46 3.02 -0.68 -4.99 115.26 108.58 1iib n ASN 50 Ca -0.01 -1.83 -0.28 0.00 -0.03 0.00 0.00 54.58 52.43 1iib n ASN 50 Cb 0.22 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1iib n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iib s ALA 51 N -1.42 3.46 -0.12 5.41 0.00 -0.56 -4.80 121.76 123.73 1iib s ALA 51 Ca 0.26 -0.47 0.18 0.00 0.00 0.00 0.00 51.96 51.93 1iib s ALA 51 Cb 0.17 -2.51 -0.19 0.00 0.00 0.00 0.00 23.12 20.59 1iib s ALA 51 CO 0.24 -0.08 0.62 -0.25 0.00 0.00 0.00 175.76 176.29 1iib n ASP 52 N -1.63 0.56 -3.73 0.00 8.00 0.85 -4.89 116.55 115.71 1iib n ASP 52 Ca 0.00 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.63 1iib n ASP 52 Cb 0.55 0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 42.14 1iib n ASP 52 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iib s VAL 53 N -2.93 -0.02 -0.23 2.53 0.11 -1.04 -4.43 120.40 114.40 1iib s VAL 53 Ca -0.05 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1iib s VAL 53 Cb 0.09 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1iib s VAL 53 CO 0.83 0.02 0.03 -0.69 -3.33 0.00 0.00 175.10 171.97 1iib s VAL 54 N 0.78 4.10 -0.11 2.04 1.01 -0.54 -2.53 120.40 125.16 1iib s VAL 54 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1iib s VAL 54 Cb -0.06 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1iib s VAL 54 CO -0.06 0.38 -0.11 -0.76 0.00 0.00 0.00 175.10 174.56 1iib s LEU 55 N 1.34 2.84 -0.10 3.92 1.43 -0.52 -1.06 118.68 126.53 1iib s LEU 55 Ca 0.05 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1iib s LEU 55 Cb -0.15 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1iib s LEU 55 CO 0.02 0.22 0.02 -0.76 0.23 0.00 0.00 176.35 176.08 1iib s LEU 56 N 0.05 3.68 0.61 1.79 1.43 0.68 -1.18 118.68 125.75 1iib s LEU 56 Ca -0.04 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 1iib s LEU 56 Cb -0.14 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1iib s LEU 56 CO 0.04 0.35 1.14 -0.83 0.23 0.00 0.00 176.35 177.28 1iib s GLY 57 N -0.69 2.44 0.60 -3.19 0.00 -0.25 -0.81 107.32 105.41 1iib s GLY 57 Ca 0.11 0.75 0.31 0.00 0.00 0.00 0.00 44.72 45.90 1iib s GLY 57 CO 0.02 1.12 2.27 -0.56 0.00 0.00 0.00 173.10 175.95 1iib h PRO 58 N 0.56 0.00 0.00 2.90 0.13 -1.92 -1.29 132.00 132.38 1iib h PRO 58 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1iib h PRO 58 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1iib h PRO 58 CO 0.55 0.00 -0.06 1.96 -0.23 0.00 0.00 178.00 180.22 1iib h GLN 59 N 0.00 0.00 -0.16 0.86 7.50 -1.96 -2.43 115.11 118.91 1iib h GLN 59 Ca 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 1iib h GLN 59 Cb 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 1iib h GLN 59 CO -0.00 0.06 -0.13 0.44 -1.50 0.00 0.00 178.83 177.70 1iib n ILE 60 N -3.52 2.25 -0.34 2.54 -5.35 -0.49 -4.74 119.36 109.70 1iib n ILE 60 Ca -0.02 -2.52 0.06 0.00 -0.27 0.00 0.00 62.75 60.00 1iib n ILE 60 Cb 0.18 -0.27 0.24 0.00 -1.74 0.00 0.00 39.64 38.05 1iib n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iib h ALA 61 N 0.92 1.53 0.00 -1.28 0.00 -1.40 0.25 119.26 119.29 1iib h ALA 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iib h ALA 61 Cb 1.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iib h ALA 61 CO 0.17 0.26 0.15 0.10 0.00 0.00 0.00 179.25 179.93 1iib h TYR 62 N 1.00 0.00 -0.01 0.00 -0.00 -1.85 -0.55 116.97 115.57 1iib h TYR 62 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.18 1iib h TYR 62 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 1iib h TYR 62 CO -0.00 0.00 -0.12 -1.33 -0.00 0.00 0.00 178.16 176.71 1iib n MET 63 N -2.75 0.89 -0.18 0.10 2.81 0.08 -4.52 117.12 113.54 1iib n MET 63 Ca -0.02 -0.38 -0.05 0.00 -1.81 0.00 0.00 57.70 55.44 1iib n MET 63 Cb 0.20 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1iib n MET 63 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1iib h LEU 64 N 0.92 -1.06 -1.14 4.03 5.85 -1.21 -1.72 115.31 120.98 1iib h LEU 64 Ca 0.00 0.21 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1iib h LEU 64 Cb 0.38 0.53 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1iib h LEU 64 CO 0.00 -0.30 0.59 -0.65 -0.34 0.00 0.00 178.44 177.74 1iib h PRO 65 N -0.17 1.00 -0.40 5.25 0.11 -1.84 -0.20 132.00 135.76 1iib h PRO 65 Ca 0.22 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 1iib h PRO 65 Cb 0.54 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1iib h PRO 65 CO -0.64 0.66 -0.06 0.93 -0.21 0.00 0.00 178.00 178.69 1iib h GLU 66 N 1.03 0.74 -0.28 1.05 5.08 -1.66 -2.38 114.58 118.17 1iib h GLU 66 Ca 0.39 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1iib h GLU 66 Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1iib h GLU 66 CO -0.15 0.86 -0.30 0.82 -1.00 0.00 0.00 179.01 179.25 1iib h ILE 67 N 0.56 1.28 -0.73 3.13 2.04 -0.81 -2.09 117.51 120.89 1iib h ILE 67 Ca 0.11 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 1iib h ILE 67 Cb 0.56 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1iib h ILE 67 CO 0.03 0.44 0.37 1.56 0.00 0.00 0.00 178.15 180.56 1iib h GLN 68 N 0.49 1.03 -0.06 2.37 4.20 -0.95 -0.35 115.11 121.85 1iib h GLN 68 Ca 0.06 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1iib h GLN 68 Cb 0.76 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1iib h GLN 68 CO 0.06 0.79 -0.42 0.00 -0.67 0.00 0.00 178.83 178.59 1iib h ARG 69 N 1.01 0.14 -0.20 1.46 3.08 -1.26 -2.81 114.38 115.80 1iib h ARG 69 Ca 0.25 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 60.05 1iib h ARG 69 Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1iib h ARG 69 CO -0.04 0.54 -0.63 1.25 -1.07 0.00 0.00 179.97 180.02 1iib h LEU 70 N 0.12 0.82 -6.30 3.04 5.85 -0.78 -3.35 115.31 114.71 1iib h LEU 70 Ca 0.01 -0.48 -0.60 0.00 0.84 0.00 0.00 57.88 57.65 1iib h LEU 70 Cb 0.79 -0.24 -0.42 0.00 0.37 0.00 0.00 40.66 41.17 1iib h LEU 70 CO 0.06 1.25 -0.65 0.18 -0.34 0.00 0.00 178.44 178.94 1iib n LEU 71 N -3.95 3.23 0.16 2.25 4.77 -0.20 -4.94 117.00 118.32 1iib n LEU 71 Ca -0.05 -5.32 0.12 0.00 -0.03 0.00 0.00 56.01 50.73 1iib n LEU 71 Cb 0.66 -0.53 0.55 0.00 -2.33 0.00 0.00 43.42 41.78 1iib n LEU 71 CO 0.50 2.02 0.87 1.55 -1.33 0.00 0.00 177.39 180.99 1iib h PRO 72 N 4.35 0.00 -0.48 3.23 0.13 -1.65 -2.83 132.00 134.76 1iib h PRO 72 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1iib h PRO 72 Cb 0.70 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1iib h PRO 72 CO 0.78 0.00 0.08 0.27 -0.23 0.00 0.00 178.00 178.90 1iib n ASN 73 N -2.33 4.29 -4.00 1.44 6.94 -1.26 -4.97 115.26 115.37 1iib n ASN 73 Ca 0.01 -3.18 -0.15 0.00 -0.02 0.00 0.00 54.58 51.24 1iib n ASN 73 Cb 0.18 -0.64 -0.13 0.00 -2.36 0.00 0.00 39.78 36.82 1iib n ASN 73 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1iib s LYS 74 N -2.94 0.49 -0.01 -3.83 -0.14 -1.07 -5.11 119.74 107.14 1iib s LYS 74 Ca 0.49 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.40 1iib s LYS 74 Cb 0.39 -0.41 -0.04 0.00 -1.68 0.00 0.00 37.83 36.10 1iib s LYS 74 CO 0.10 0.10 1.10 -1.25 -0.76 0.00 0.00 175.35 174.64 1iib s PRO 75 N -0.64 4.46 -0.09 -1.68 0.04 -1.26 -4.96 135.00 130.87 1iib s PRO 75 Ca -0.02 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1iib s PRO 75 Cb -0.05 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1iib s PRO 75 CO 0.00 -0.24 -0.16 0.08 0.04 0.00 0.00 177.00 176.73 1iib s VAL 76 N 1.44 1.44 0.12 -0.36 1.01 -1.26 -1.47 120.40 121.32 1iib s VAL 76 Ca 0.54 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1iib s VAL 76 Cb -0.24 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1iib s VAL 76 CO 0.25 0.43 0.33 -1.83 0.00 0.00 0.00 175.10 174.28 1iib s GLU 77 N 0.71 1.01 0.09 2.72 -1.05 -0.23 -5.00 118.70 116.95 1iib s GLU 77 Ca -0.13 -0.81 -0.20 0.00 -0.15 0.00 0.00 54.97 53.68 1iib s GLU 77 Cb -0.16 0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 1iib s GLU 77 CO 0.03 -0.37 0.61 0.08 0.95 0.00 0.00 175.26 176.56 1iib s VAL 78 N -3.83 4.67 0.19 1.83 1.01 -1.26 -0.23 120.40 122.78 1iib s VAL 78 Ca 0.04 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 1iib s VAL 78 Cb 0.03 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1iib s VAL 78 CO -0.11 0.55 1.11 -0.63 0.00 0.00 0.00 175.10 176.01 1iib s ILE 79 N -1.10 3.80 0.06 2.22 1.01 0.01 -4.85 121.20 122.35 1iib s ILE 79 Ca 0.30 1.58 -0.34 0.00 0.00 0.00 0.00 60.65 62.20 1iib s ILE 79 Cb -0.20 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.13 1iib s ILE 79 CO 0.20 0.28 1.74 -0.67 0.00 0.00 0.00 174.94 176.49 1iib n ASP 80 N 2.24 3.39 0.02 3.58 2.03 -1.26 -4.39 116.55 122.17 1iib n ASP 80 Ca 0.02 1.02 0.11 0.00 0.52 0.00 0.00 54.79 56.47 1iib n ASP 80 Cb 0.46 -1.43 0.55 0.00 -0.72 0.00 0.00 41.12 39.98 1iib n ASP 80 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1iib h SER 81 N 7.61 0.24 -0.07 1.67 4.64 -1.99 -0.36 113.55 125.30 1iib h SER 81 Ca -0.46 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.66 1iib h SER 81 Cb 1.25 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1iib h SER 81 CO 0.92 0.16 -0.73 0.25 -0.87 0.00 0.00 176.83 176.55 1iib h LEU 82 N 0.27 0.76 -0.93 5.97 6.46 -1.99 0.48 115.31 126.34 1iib h LEU 82 Ca 0.19 -0.69 -0.07 0.00 -0.12 0.00 0.00 57.88 57.20 1iib h LEU 82 Cb 0.40 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1iib h LEU 82 CO -0.04 1.34 0.05 -0.07 -0.62 0.00 0.00 178.44 179.10 1iib h LEU 83 N 0.25 0.80 0.04 2.25 3.38 -1.80 -1.80 115.31 118.43 1iib h LEU 83 Ca -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1iib h LEU 83 Cb 1.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1iib h LEU 83 CO 0.15 0.83 -0.02 0.22 0.09 0.00 0.00 178.44 179.71 1iib h TYR 84 N 0.79 -0.05 -0.99 1.13 5.03 -1.00 -1.08 116.97 120.81 1iib h TYR 84 Ca 0.16 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.52 1iib h TYR 84 Cb 0.40 0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.63 1iib h TYR 84 CO 0.02 0.43 0.64 0.78 -1.32 0.00 0.00 178.16 178.72 1iib h GLY 85 N -0.55 1.46 1.87 1.82 0.00 -0.82 -1.21 103.07 105.66 1iib h GLY 85 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1iib h GLY 85 CO 0.01 0.38 0.00 1.17 0.00 0.00 0.00 176.54 178.10 1iib n LYS 86 N -4.46 0.11 -3.54 4.80 4.81 -0.68 -4.93 118.16 114.27 1iib n LYS 86 Ca 0.14 0.04 -0.20 0.00 -0.87 0.00 0.00 58.31 57.42 1iib n LYS 86 Cb 0.13 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 33.76 1iib n LYS 86 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1iib n VAL 87 N -1.44 -4.83 -2.68 3.15 0.31 -0.46 -4.91 118.33 107.48 1iib n VAL 87 Ca 0.08 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 1iib n VAL 87 Cb 0.28 -4.46 -0.03 0.00 -0.91 0.00 0.00 33.84 28.73 1iib n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iib s ASP 88 N -4.05 6.57 0.21 4.52 2.15 -0.45 -4.85 116.67 120.78 1iib s ASP 88 Ca 0.18 -1.73 -0.09 0.00 0.43 0.00 0.00 52.55 51.34 1iib s ASP 88 Cb -0.08 -2.52 0.22 0.00 -0.30 0.00 0.00 42.92 40.24 1iib s ASP 88 CO 0.75 -1.34 1.85 1.23 -0.17 0.00 0.00 175.17 177.49 1iib h GLY 89 N 12.00 1.08 0.87 2.66 0.00 -1.85 -1.81 103.07 116.01 1iib h GLY 89 Ca 0.21 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1iib h GLY 89 CO 1.33 0.29 -0.07 -2.00 0.00 0.00 0.00 176.54 176.09 1iib h LEU 90 N 0.90 0.53 -0.61 3.11 5.85 -1.89 -1.89 115.31 121.31 1iib h LEU 90 Ca 0.30 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1iib h LEU 90 Cb 0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1iib h LEU 90 CO -0.12 0.78 0.39 1.23 -0.34 0.00 0.00 178.44 180.38 1iib h GLY 91 N 0.28 0.87 1.40 3.75 0.00 -1.92 -0.12 103.07 107.32 1iib h GLY 91 Ca 0.07 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1iib h GLY 91 CO 0.03 0.33 -0.62 -2.08 0.00 0.00 0.00 176.54 174.20 1iib h VAL 92 N 0.82 1.32 -0.62 4.60 2.07 -1.36 -2.24 116.25 120.84 1iib h VAL 92 Ca 0.22 -1.89 0.02 0.00 0.82 0.00 0.00 66.70 65.87 1iib h VAL 92 Cb -0.06 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1iib h VAL 92 CO -0.04 0.59 0.39 0.25 0.02 0.00 0.00 177.57 178.78 1iib h LEU 93 N 0.45 0.66 -0.64 2.57 5.85 -0.93 -1.45 115.31 121.81 1iib h LEU 93 Ca -0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1iib h LEU 93 Cb 1.20 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1iib h LEU 93 CO 0.12 0.47 0.42 0.11 -0.34 0.00 0.00 178.44 179.22 1iib h LYS 94 N 0.78 0.83 -0.30 1.25 1.57 -0.81 -1.87 116.57 118.02 1iib h LYS 94 Ca 0.24 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1iib h LYS 94 Cb -0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1iib h LYS 94 CO -0.08 0.55 -0.04 0.00 -0.57 0.00 0.00 179.45 179.31 1iib h ALA 95 N 1.24 1.37 -0.16 3.86 0.00 -0.91 -1.61 119.26 123.05 1iib h ALA 95 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1iib h ALA 95 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1iib h ALA 95 CO -0.06 0.43 -0.29 0.00 0.00 0.00 0.00 179.25 179.34 1iib h ALA 96 N 1.51 0.25 -0.71 0.00 0.00 -0.81 -0.97 119.26 118.53 1iib h ALA 96 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1iib h ALA 96 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iib h ALA 96 CO 0.02 0.26 0.30 0.28 0.00 0.00 0.00 179.25 180.10 1iib h VAL 97 N 0.10 1.24 -0.18 0.00 2.07 -1.26 -2.27 116.25 115.94 1iib h VAL 97 Ca 0.01 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1iib h VAL 97 Cb 0.88 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1iib h VAL 97 CO 0.06 0.30 0.11 0.00 0.02 0.00 0.00 177.57 178.07 1iib h ALA 98 N 1.14 0.23 -0.48 1.67 0.00 -1.17 -1.05 119.26 119.60 1iib h ALA 98 Ca 0.24 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1iib h ALA 98 Cb 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1iib h ALA 98 CO -0.02 -0.30 0.32 0.00 0.00 0.00 0.00 179.25 179.24 1iib h ALA 99 N 1.08 1.79 -0.25 0.00 0.00 -0.92 0.11 119.26 121.06 1iib h ALA 99 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1iib h ALA 99 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1iib h ALA 99 CO -0.03 0.16 -0.18 0.82 0.00 0.00 0.00 179.25 180.02 1iib h ILE 100 N 0.53 1.31 0.16 0.00 2.04 -0.75 -2.29 117.51 118.50 1iib h ILE 100 Ca 0.19 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1iib h ILE 100 Cb 0.11 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1iib h ILE 100 CO -0.05 0.41 -0.08 0.11 0.00 0.00 0.00 178.15 178.54 1iib h LYS 101 N 0.29 -0.21 0.00 2.37 1.57 -0.51 -1.45 116.57 118.63 1iib h LYS 101 Ca 0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1iib h LYS 101 Cb 0.71 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1iib h LYS 101 CO 0.05 0.09 0.05 -0.22 -0.57 0.00 0.00 179.45 178.84 1iib h LYS 102 N -0.50 0.00 0.08 3.15 3.64 -0.87 -1.75 116.57 120.32 1iib h LYS 102 Ca -0.02 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.04 1iib h LYS 102 Cb 0.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1iib h LYS 102 CO 0.04 0.00 -1.68 0.00 -2.27 0.00 0.00 179.45 175.54 1iib h ALA 103 N 1.90 0.46 -0.05 5.00 0.00 -0.94 -3.32 119.26 122.31 1iib h ALA 103 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1iib h ALA 103 Cb 0.09 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1iib h ALA 103 CO 0.00 1.32 0.00 0.00 0.00 0.00 0.00 179.25 180.57 1iib n ALA 104 N -2.71 2.58 -0.15 0.00 0.00 -0.59 -5.09 120.51 114.56 1iib n ALA 104 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1iib n ALA 104 Cb 1.04 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1iib n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50