#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl n ILE 4 N 0.00 -0.22 -1.71 -0.18 5.41 0.14 -4.54 119.36 118.26 1ibl n ILE 4 Ca 0.00 -1.76 -0.42 0.00 1.00 0.00 0.00 62.75 61.57 1ibl n ILE 4 Cb 0.00 0.55 -0.03 0.00 -0.71 0.00 0.00 39.64 39.45 1ibl n ILE 4 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1ibl s ARG 5 N 0.52 4.14 -0.29 0.38 0.52 -1.03 -2.50 118.95 120.69 1ibl s ARG 5 Ca 0.32 2.57 -0.02 0.00 -0.52 0.00 0.00 55.73 58.08 1ibl s ARG 5 Cb 0.10 -4.09 0.09 0.00 0.52 0.00 0.00 34.95 31.57 1ibl s ARG 5 CO -0.14 -0.93 0.09 0.96 0.02 0.00 0.00 175.30 175.29 1ibl s ILE 6 N 4.25 0.70 -0.28 1.52 -4.36 -1.24 -0.07 121.20 121.71 1ibl s ILE 6 Ca 0.86 -1.17 -0.17 0.00 -0.26 0.00 0.00 60.65 59.91 1ibl s ILE 6 Cb -0.42 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.79 1ibl s ILE 6 CO 0.40 -0.60 0.49 -0.54 0.24 0.00 0.00 174.94 174.93 1ibl s LYS 7 N 1.72 3.97 -0.02 0.37 1.02 0.55 -4.19 119.74 123.16 1ibl s LYS 7 Ca 0.08 0.18 -0.07 0.00 0.02 0.00 0.00 55.97 56.18 1ibl s LYS 7 Cb -0.17 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 1ibl s LYS 7 CO -0.24 -0.40 0.24 -0.51 -0.92 0.00 0.00 175.35 173.53 1ibl s LEU 8 N 2.29 4.38 -0.21 3.17 1.02 -1.07 -1.21 118.68 127.05 1ibl s LEU 8 Ca 0.20 0.55 -0.04 0.00 0.02 0.00 0.00 54.13 54.85 1ibl s LEU 8 Cb -0.16 -2.53 0.11 0.00 0.02 0.00 0.00 46.19 43.63 1ibl s LEU 8 CO 0.10 0.29 0.32 0.00 0.02 0.00 0.00 176.35 177.08 1ibl s ARG 9 N -1.57 0.27 0.27 1.70 1.70 -0.96 -0.10 118.95 120.25 1ibl s ARG 9 Ca 0.25 0.51 0.02 0.00 -0.47 0.00 0.00 55.73 56.04 1ibl s ARG 9 Cb -0.13 -0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 33.64 1ibl s ARG 9 CO 0.14 -0.55 0.11 0.20 -1.08 0.00 0.00 175.30 174.11 1ibl s GLY 10 N 2.47 1.84 0.21 3.88 0.00 -1.25 -3.26 107.32 111.20 1ibl s GLY 10 Ca 0.08 -1.83 0.21 0.00 0.00 0.00 0.00 44.72 43.17 1ibl s GLY 10 CO -0.13 -1.61 1.10 0.74 0.00 0.00 0.00 173.10 173.20 1ibl h PHE 11 N 2.32 0.00 -3.49 1.90 0.05 -1.79 -1.52 116.94 114.41 1ibl h PHE 11 Ca -0.37 0.00 -0.63 0.00 3.82 0.00 0.00 57.97 60.78 1ibl h PHE 11 Cb 1.25 0.00 -0.19 0.00 2.00 0.00 0.00 35.95 39.01 1ibl h PHE 11 CO 0.61 0.18 -0.59 0.34 -0.18 0.00 0.00 178.31 178.67 1ibl s ASP 12 N -5.67 5.39 0.25 2.17 -1.08 -1.26 -4.76 116.67 111.72 1ibl s ASP 12 Ca 0.00 -0.06 0.24 0.00 -0.52 0.00 0.00 52.55 52.21 1ibl s ASP 12 Cb 0.09 -1.94 0.96 0.00 -1.46 0.00 0.00 42.92 40.57 1ibl s ASP 12 CO 0.78 0.07 1.72 0.00 0.52 0.00 0.00 175.17 178.26 1ibl n HIS 13 N 4.23 0.83 -0.07 -5.34 1.44 -1.26 -3.27 115.22 111.78 1ibl n HIS 13 Ca -0.16 0.32 -0.22 0.00 -2.01 0.00 0.00 57.72 55.64 1ibl n HIS 13 Cb 0.52 -1.01 -0.12 0.00 0.12 0.00 0.00 29.99 29.50 1ibl n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1ibl n LYS 14 N -2.25 0.66 0.00 -1.40 5.02 -1.26 -2.34 118.16 116.59 1ibl n LYS 14 Ca 0.03 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1ibl n LYS 14 Cb 0.26 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1ibl n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1ibl n THR 15 N -3.81 0.67 0.00 -0.18 5.66 -1.20 -2.88 114.28 112.53 1ibl n THR 15 Ca -0.38 0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1ibl n THR 15 Cb 0.91 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 1ibl n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ibl n LEU 16 N -1.13 0.00 -0.08 1.09 4.77 -1.20 -4.27 117.00 116.17 1ibl n LEU 16 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ibl n LEU 16 Cb 0.02 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ibl n LEU 16 CO 0.00 -0.29 0.14 0.47 -1.33 0.00 0.00 177.39 176.38 1ibl n ASP 17 N -1.89 -0.13 0.02 -1.43 8.00 -0.99 0.40 116.55 120.53 1ibl n ASP 17 Ca 0.00 0.39 -0.16 0.00 0.71 0.00 0.00 54.79 55.73 1ibl n ASP 17 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1ibl n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibl h ALA 18 N 0.35 0.36 0.63 2.24 0.00 -1.79 -2.69 119.26 118.36 1ibl h ALA 18 Ca 0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1ibl h ALA 18 Cb 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ibl h ALA 18 CO -0.22 0.72 -0.30 1.03 0.00 0.00 0.00 179.25 180.47 1ibl h SER 19 N 0.42 -0.71 0.00 0.00 0.87 0.74 -2.06 113.55 112.81 1ibl h SER 19 Ca -0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ibl h SER 19 Cb 1.45 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1ibl h SER 19 CO 0.16 -0.47 0.27 0.00 -0.53 0.00 0.00 176.83 176.25 1ibl h ALA 20 N -1.54 1.25 0.00 6.23 0.00 -0.77 1.05 119.26 125.48 1ibl h ALA 20 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ibl h ALA 20 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ibl h ALA 20 CO 0.14 -0.25 -0.07 0.37 0.00 0.00 0.00 179.25 179.44 1ibl h GLN 21 N 0.00 0.00 -0.03 0.00 4.15 -1.01 -2.46 115.11 115.77 1ibl h GLN 21 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1ibl h GLN 21 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1ibl h GLN 21 CO 0.00 0.07 -0.25 0.87 -1.93 0.00 0.00 178.83 177.59 1ibl h LYS 22 N 0.00 0.21 -1.53 1.69 1.57 0.13 -3.10 116.57 115.54 1ibl h LYS 22 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ibl h LYS 22 Cb 0.37 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ibl h LYS 22 CO 0.01 0.88 0.00 -0.89 -0.57 0.00 0.00 179.45 178.88 1ibl n ILE 23 N -4.51 0.33 0.05 1.86 -0.00 -0.93 -0.20 119.36 115.97 1ibl n ILE 23 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1ibl n ILE 23 Cb 0.48 -0.64 0.00 0.00 -0.00 0.00 0.00 39.64 39.48 1ibl n ILE 23 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1ibl n VAL 24 N 0.78 0.89 0.06 1.39 0.31 -1.17 -4.72 118.33 115.87 1ibl n VAL 24 Ca 0.00 0.30 -0.06 0.00 -0.01 0.00 0.00 64.34 64.56 1ibl n VAL 24 Cb 0.17 -1.36 0.11 0.00 -0.91 0.00 0.00 33.84 31.85 1ibl n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1ibl h GLU 25 N 0.00 0.33 -0.60 5.55 5.08 -1.47 0.71 114.58 124.18 1ibl h GLU 25 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1ibl h GLU 25 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ibl h GLU 25 CO 0.00 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.83 1ibl n ALA 26 N -2.48 1.88 -1.11 3.43 0.00 0.72 -1.69 120.51 121.25 1ibl n ALA 26 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ibl n ALA 26 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ibl n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibl n ALA 27 N 0.22 0.49 -0.06 0.00 0.00 -0.98 -2.44 120.51 117.74 1ibl n ALA 27 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ibl n ALA 27 Cb 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.47 1ibl n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibl h ARG 28 N 0.00 0.03 0.23 0.00 3.08 0.13 -2.66 114.38 115.19 1ibl h ARG 28 Ca 0.00 -0.04 -0.34 0.00 0.07 0.00 0.00 59.98 59.66 1ibl h ARG 28 Cb 0.52 0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.62 1ibl h ARG 28 CO 0.00 1.02 -1.57 0.00 -1.07 0.00 0.00 179.97 178.36 1ibl h ARG 29 N -0.95 0.49 -0.06 0.04 -0.00 -1.84 -3.33 114.38 108.73 1ibl h ARG 29 Ca -0.02 -0.84 -0.06 0.00 -0.50 0.00 0.00 59.98 58.57 1ibl h ARG 29 Cb 1.06 0.31 -0.01 0.00 0.00 0.00 0.00 29.97 31.33 1ibl h ARG 29 CO 0.01 1.40 -0.22 0.66 0.00 0.00 0.00 179.97 181.82 1ibl h SER 30 N 0.13 0.09 -0.46 7.04 4.64 -1.84 -3.46 113.55 119.69 1ibl h SER 30 Ca -0.28 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ibl h SER 30 Cb 2.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 1ibl h SER 30 CO 0.24 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 1ibl n GLY 31 N -0.79 6.39 0.00 -0.77 0.00 -1.00 -3.93 105.19 105.09 1ibl n GLY 31 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1ibl n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl n ALA 32 N -3.00 0.00 -1.15 4.61 0.00 -1.24 -4.80 120.51 114.93 1ibl n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ibl n ALA 32 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1ibl n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ibl n GLN 33 N -0.17 0.00 -1.09 0.00 7.27 -1.26 -4.86 117.38 117.26 1ibl n GLN 33 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.21 1ibl n GLN 33 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1ibl n GLN 33 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ibl n VAL 34 N 0.00 0.00 -1.04 1.69 0.31 -1.26 -4.49 118.33 113.54 1ibl n VAL 34 Ca 0.00 0.14 0.07 0.00 -0.01 0.00 0.00 64.34 64.54 1ibl n VAL 34 Cb 0.21 -0.51 0.25 0.00 -0.91 0.00 0.00 33.84 32.88 1ibl n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ibl n SER 35 N -3.61 3.75 -1.66 4.52 7.64 -0.56 -4.86 113.62 118.85 1ibl n SER 35 Ca -0.01 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.77 1ibl n SER 35 Cb 0.50 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1ibl n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ibl n GLY 36 N -0.58 -4.94 3.66 0.23 0.00 -1.25 -4.70 105.19 97.61 1ibl n GLY 36 Ca 0.23 -0.38 -0.53 0.00 0.00 0.00 0.00 46.02 45.34 1ibl n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ibl n PRO 37 N 1.27 1.43 -4.20 1.61 -0.04 -1.26 -3.99 135.00 129.82 1ibl n PRO 37 Ca 0.00 0.52 -0.35 0.00 -0.04 0.00 0.00 63.50 63.63 1ibl n PRO 37 Cb 0.00 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.14 1ibl n PRO 37 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ibl s ILE 38 N 2.37 4.58 0.02 0.52 1.01 -1.26 -4.67 121.20 123.76 1ibl s ILE 38 Ca 0.91 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 61.22 1ibl s ILE 38 Cb -0.93 -2.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 1ibl s ILE 38 CO 0.54 0.55 1.11 1.55 0.00 0.00 0.00 174.94 178.70 1ibl h PRO 39 N 5.76 -0.73 -2.75 2.79 0.13 -1.92 1.12 132.00 136.40 1ibl h PRO 39 Ca -0.45 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1ibl h PRO 39 Cb 1.19 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ibl h PRO 39 CO 0.61 -0.49 -0.58 1.28 -0.23 0.00 0.00 178.00 178.59 1ibl n LEU 40 N -4.41 -4.58 -4.46 1.56 4.77 -1.26 -2.99 117.00 105.63 1ibl n LEU 40 Ca -0.09 1.98 -0.41 0.00 -0.03 0.00 0.00 56.01 57.45 1ibl n LEU 40 Cb 0.30 -1.90 0.01 0.00 -2.33 0.00 0.00 43.42 39.50 1ibl n LEU 40 CO 0.23 -0.72 0.09 -0.81 -1.33 0.00 0.00 177.39 174.84 1ibl n PRO 41 N 0.63 0.60 -3.35 3.23 -0.04 -1.26 -4.25 135.00 130.57 1ibl n PRO 41 Ca 0.00 0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 63.36 1ibl n PRO 41 Cb 0.00 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 1ibl n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ibl s THR 42 N -1.47 4.89 -0.54 0.52 2.01 -1.26 -4.63 115.64 115.16 1ibl s THR 42 Ca 0.63 0.52 -0.06 0.00 0.31 0.00 0.00 61.69 63.09 1ibl s THR 42 Cb -0.60 -3.63 0.14 0.00 0.01 0.00 0.00 72.50 68.43 1ibl s THR 42 CO 0.58 -0.12 0.39 -0.13 -0.69 0.00 0.00 174.62 174.64 1ibl s ARG 43 N -2.94 2.50 0.33 4.92 0.52 -1.15 -4.97 118.95 118.16 1ibl s ARG 43 Ca 0.48 -2.10 -0.27 0.00 -0.52 0.00 0.00 55.73 53.33 1ibl s ARG 43 Cb -0.11 -3.83 -0.09 0.00 0.52 0.00 0.00 34.95 31.44 1ibl s ARG 43 CO 0.22 -1.17 1.02 0.08 0.02 0.00 0.00 175.30 175.46 1ibl s VAL 44 N 0.72 3.86 0.08 3.52 1.01 -1.26 -2.84 120.40 125.48 1ibl s VAL 44 Ca 0.11 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.79 1ibl s VAL 44 Cb -0.22 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ibl s VAL 44 CO -0.03 0.20 -0.20 -0.13 0.00 0.00 0.00 175.10 174.94 1ibl s ARG 45 N -1.94 1.87 -0.05 2.72 0.52 -1.22 -4.95 118.95 115.90 1ibl s ARG 45 Ca 0.50 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1ibl s ARG 45 Cb -0.24 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1ibl s ARG 45 CO 0.30 0.51 -0.15 1.03 0.02 0.00 0.00 175.30 177.01 1ibl s ARG 46 N -1.72 1.76 -0.16 3.54 1.81 -1.26 -1.78 118.95 121.15 1ibl s ARG 46 Ca 0.15 -0.53 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 1ibl s ARG 46 Cb -0.10 -1.49 0.02 0.00 -0.45 0.00 0.00 34.95 32.92 1ibl s ARG 46 CO 0.07 0.16 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.60 1ibl s PHE 47 N 0.27 2.52 -0.24 -0.53 0.40 0.24 -4.99 117.98 115.66 1ibl s PHE 47 Ca -0.08 -1.40 -0.00 0.00 -0.60 0.00 0.00 56.93 54.84 1ibl s PHE 47 Cb -0.13 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1ibl s PHE 47 CO 0.03 -0.70 -0.09 0.99 0.70 0.00 0.00 175.22 176.15 1ibl s THR 48 N 1.20 2.63 0.23 0.64 2.01 -1.26 -1.67 115.64 119.42 1ibl s THR 48 Ca 0.01 -1.10 0.11 0.00 0.31 0.00 0.00 61.69 61.02 1ibl s THR 48 Cb -0.14 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 1ibl s THR 48 CO -0.09 0.22 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.19 1ibl s VAL 49 N 1.28 2.63 -0.46 3.82 1.01 -1.24 -5.07 120.40 122.37 1ibl s VAL 49 Ca -0.00 -2.11 -0.28 0.00 0.00 0.00 0.00 61.98 59.58 1ibl s VAL 49 Cb -0.17 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1ibl s VAL 49 CO -0.06 -0.25 1.10 -0.63 0.00 0.00 0.00 175.10 175.26 1ibl s ILE 50 N -2.06 4.27 0.16 2.22 1.01 -1.26 -3.33 121.20 122.22 1ibl s ILE 50 Ca 0.26 1.21 -0.08 0.00 0.00 0.00 0.00 60.65 62.04 1ibl s ILE 50 Cb -0.07 -4.56 0.23 0.00 0.01 0.00 0.00 42.46 38.07 1ibl s ILE 50 CO 0.14 -0.93 0.99 0.54 0.00 0.00 0.00 174.94 175.67 1ibl n ARG 51 N 7.65 -0.10 -3.50 2.79 1.74 -1.22 -4.51 116.66 119.51 1ibl n ARG 51 Ca 0.11 0.98 -0.21 0.00 -0.77 0.00 0.00 57.85 57.96 1ibl n ARG 51 Cb 0.49 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1ibl n ARG 51 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ibl s GLY 52 N -3.89 2.11 0.53 -0.13 0.00 -1.26 -5.01 107.32 99.67 1ibl s GLY 52 Ca -0.09 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 1ibl s GLY 52 CO 0.48 -1.71 0.81 2.56 0.00 0.00 0.00 173.10 175.24 1ibl s PRO 53 N -4.23 3.07 0.06 2.90 0.04 -1.26 -4.86 135.00 130.71 1ibl s PRO 53 Ca 0.48 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1ibl s PRO 53 Cb -0.04 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1ibl s PRO 53 CO 0.29 -0.49 0.00 0.34 0.04 0.00 0.00 177.00 177.18 1ibl n PHE 54 N -2.38 -2.29 -1.88 0.56 7.35 -1.26 -4.83 117.46 112.73 1ibl n PHE 54 Ca 0.03 1.37 0.00 0.00 -0.76 0.00 0.00 57.45 58.09 1ibl n PHE 54 Cb 0.57 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 38.26 1ibl n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ibl n LYS 55 N 1.83 0.00 -2.53 -4.13 2.85 -1.26 -4.94 118.16 109.98 1ibl n LYS 55 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1ibl n LYS 55 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1ibl n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ibl n HIS 56 N -0.30 -0.90 0.72 5.58 8.25 -1.26 -4.84 115.22 122.46 1ibl n HIS 56 Ca 0.00 0.38 0.08 0.00 -0.26 0.00 0.00 57.72 57.91 1ibl n HIS 56 Cb 0.00 -3.24 0.39 0.00 1.12 0.00 0.00 29.99 28.26 1ibl n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ibl n LYS 57 N -2.26 0.20 -0.65 -0.41 -0.00 -1.26 -3.25 118.16 110.52 1ibl n LYS 57 Ca -0.11 0.15 0.08 0.00 -0.00 0.00 0.00 58.31 58.43 1ibl n LYS 57 Cb 0.57 -1.50 0.34 0.00 -0.00 0.00 0.00 35.03 34.44 1ibl n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ibl n ASP 58 N -1.31 4.71 0.00 -5.58 8.00 -1.26 -4.70 116.55 116.41 1ibl n ASP 58 Ca 0.07 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 53.02 1ibl n ASP 58 Cb 0.13 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1ibl n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ibl n SER 59 N 0.89 0.00 0.00 -2.24 3.41 -1.20 -5.03 113.62 109.45 1ibl n SER 59 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1ibl n SER 59 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1ibl n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ibl n ARG 60 N -0.51 0.00 -1.46 4.33 3.00 -1.21 -4.79 116.66 116.02 1ibl n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ibl n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ibl n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ibl n GLU 61 N 0.00 -4.18 -4.19 5.56 2.13 -1.25 -3.40 120.64 115.31 1ibl n GLU 61 Ca 0.00 3.10 -0.30 0.00 0.66 0.00 0.00 57.16 60.62 1ibl n GLU 61 Cb 0.00 -3.47 -0.09 0.00 0.27 0.00 0.00 31.44 28.15 1ibl n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1ibl s HIS 62 N -2.99 2.89 -0.04 4.31 3.76 -1.26 -3.59 115.29 118.37 1ibl s HIS 62 Ca 0.00 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1ibl s HIS 62 Cb 0.00 -1.50 0.02 0.00 1.11 0.00 0.00 32.58 32.21 1ibl s HIS 62 CO 0.00 0.45 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.25 1ibl s PHE 63 N -1.26 0.61 -0.06 1.40 2.99 -0.67 -5.01 117.98 115.99 1ibl s PHE 63 Ca 0.24 -0.14 0.01 0.00 0.00 0.00 0.00 56.93 57.04 1ibl s PHE 63 Cb -0.11 -0.58 0.02 0.00 0.00 0.00 0.00 43.02 42.34 1ibl s PHE 63 CO 0.16 -0.17 -0.09 -1.83 -0.00 0.00 0.00 175.22 173.29 1ibl s GLU 64 N 0.94 1.35 -0.79 0.44 4.04 -1.25 0.83 118.70 124.25 1ibl s GLU 64 Ca -0.11 -0.28 -0.05 0.00 0.04 0.00 0.00 54.97 54.58 1ibl s GLU 64 Cb -0.14 -1.21 0.20 0.00 0.02 0.00 0.00 34.13 33.00 1ibl s GLU 64 CO -0.00 -0.05 0.67 -1.17 -1.84 0.00 0.00 175.26 172.87 1ibl s LEU 65 N 0.89 5.70 0.10 1.83 0.20 -0.73 -4.88 118.68 121.79 1ibl s LEU 65 Ca -0.11 -3.19 -0.30 0.00 0.69 0.00 0.00 54.13 51.22 1ibl s LEU 65 Cb -0.15 -1.96 -0.06 0.00 -0.43 0.00 0.00 46.19 43.59 1ibl s LEU 65 CO 0.01 -0.33 0.96 0.00 -0.29 0.00 0.00 176.35 176.69 1ibl s ARG 66 N -0.58 4.68 -0.68 1.98 1.70 -1.26 -3.38 118.95 121.41 1ibl s ARG 66 Ca 0.22 1.44 -0.09 0.00 -0.47 0.00 0.00 55.73 56.82 1ibl s ARG 66 Cb -0.13 -3.38 0.18 0.00 -0.57 0.00 0.00 34.95 31.04 1ibl s ARG 66 CO -0.08 0.20 0.57 0.99 -1.08 0.00 0.00 175.30 175.90 1ibl s THR 67 N 0.06 4.69 1.19 4.99 2.01 -1.13 -4.52 115.64 122.93 1ibl s THR 67 Ca 0.47 -2.48 -0.13 0.00 0.31 0.00 0.00 61.69 59.86 1ibl s THR 67 Cb -0.23 -3.98 0.30 0.00 0.01 0.00 0.00 72.50 68.60 1ibl s THR 67 CO 0.29 -0.93 1.02 -1.00 -0.69 0.00 0.00 174.62 173.32 1ibl s HIS 68 N 0.35 1.28 0.07 4.92 3.76 -0.57 -2.93 115.29 122.17 1ibl s HIS 68 Ca 0.15 1.17 0.01 0.00 -0.15 0.00 0.00 55.06 56.24 1ibl s HIS 68 Cb -0.17 -3.08 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1ibl s HIS 68 CO -0.05 -3.99 -0.05 -0.80 -0.85 0.00 0.00 174.74 168.99 1ibl s ASN 69 N -2.45 0.80 0.09 1.40 0.01 -1.26 -3.85 114.94 109.67 1ibl s ASN 69 Ca 0.69 -0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 51.83 1ibl s ASN 69 Cb -0.25 0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.54 1ibl s ASN 69 CO 0.65 -0.46 0.25 -0.13 -1.51 0.00 0.00 177.10 175.90 1ibl s ARG 70 N -3.36 0.88 0.14 -0.60 1.81 0.85 -4.48 118.95 114.20 1ibl s ARG 70 Ca 0.05 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 1ibl s ARG 70 Cb 0.03 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.90 1ibl s ARG 70 CO -0.06 -0.30 0.00 -0.11 -0.68 0.00 0.00 175.30 174.16 1ibl n LEU 71 N 0.02 0.60 0.00 2.53 -0.00 0.38 -2.59 117.00 117.94 1ibl n LEU 71 Ca -0.16 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1ibl n LEU 71 Cb 0.62 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1ibl n LEU 71 CO 0.21 -0.74 0.00 0.52 -0.00 0.00 0.00 177.39 177.38 1ibl n VAL 72 N -3.36 0.00 -2.29 1.96 0.31 -1.26 -3.69 118.33 110.01 1ibl n VAL 72 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1ibl n VAL 72 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1ibl n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ibl n ASP 73 N 3.97 -1.92 -4.59 4.52 2.03 -1.26 -3.03 116.55 116.27 1ibl n ASP 73 Ca 0.00 1.11 -0.34 0.00 0.52 0.00 0.00 54.79 56.08 1ibl n ASP 73 Cb 0.00 -4.29 -0.11 0.00 -0.72 0.00 0.00 41.12 36.00 1ibl n ASP 73 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ibl s ILE 74 N -0.50 4.09 0.03 5.18 -4.36 -1.04 -1.49 121.20 123.10 1ibl s ILE 74 Ca -0.19 -0.31 0.03 0.00 -0.26 0.00 0.00 60.65 59.93 1ibl s ILE 74 Cb 0.01 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1ibl s ILE 74 CO 0.51 0.55 -0.03 -0.63 0.24 0.00 0.00 174.94 175.58 1ibl s ILE 75 N -0.27 3.91 0.00 8.37 1.01 -1.26 0.28 121.20 133.23 1ibl s ILE 75 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1ibl s ILE 75 Cb -0.12 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1ibl s ILE 75 CO 0.02 0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.84 1ibl n ASN 76 N 1.15 -1.25 -4.57 3.58 3.02 -1.26 -3.70 115.26 112.23 1ibl n ASN 76 Ca -0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 1ibl n ASN 76 Cb 0.52 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1ibl n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ibl s PRO 77 N -2.63 2.94 -0.82 3.52 0.04 -1.26 -4.18 135.00 132.62 1ibl s PRO 77 Ca 0.00 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1ibl s PRO 77 Cb 0.00 -4.28 0.35 0.00 0.04 0.00 0.00 34.50 30.60 1ibl s PRO 77 CO 0.00 -2.35 1.71 0.09 0.04 0.00 0.00 177.00 176.49 1ibl n ASN 78 N 11.47 6.74 0.00 6.66 3.02 -1.26 -4.93 115.26 136.96 1ibl n ASN 78 Ca 0.19 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 1ibl n ASN 78 Cb 0.50 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1ibl n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ibl n ARG 79 N -0.34 0.00 0.03 3.52 5.12 -1.26 -2.77 116.66 120.96 1ibl n ARG 79 Ca 0.47 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.59 1ibl n ARG 79 Cb 0.32 0.00 0.71 0.00 -1.16 0.00 0.00 32.46 32.33 1ibl n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1ibl h LYS 80 N 0.00 0.00 0.48 5.56 1.63 -1.93 0.79 116.57 123.10 1ibl h LYS 80 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1ibl h LYS 80 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1ibl h LYS 80 CO 0.00 0.00 -0.23 1.15 -3.45 0.00 0.00 179.45 176.92 1ibl h THR 81 N 0.00 0.17 0.00 1.00 2.02 -1.64 0.59 112.91 115.06 1ibl h THR 81 Ca 0.23 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ibl h THR 81 Cb 1.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ibl h THR 81 CO -0.00 0.04 0.09 -0.38 0.37 0.00 0.00 175.52 175.64 1ibl n ILE 82 N -5.21 1.26 -0.04 3.11 5.41 -0.08 -1.56 119.36 122.25 1ibl n ILE 82 Ca -0.09 0.63 -0.02 0.00 1.00 0.00 0.00 62.75 64.27 1ibl n ILE 82 Cb 0.28 -1.63 -0.01 0.00 -0.71 0.00 0.00 39.64 37.58 1ibl n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1ibl h GLU 83 N 0.00 0.00 -1.04 0.38 4.57 0.11 0.05 114.58 118.65 1ibl h GLU 83 Ca 0.00 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.48 1ibl h GLU 83 Cb 0.19 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.65 1ibl h GLU 83 CO 0.00 0.00 0.63 1.96 -1.18 0.00 0.00 179.01 180.42 1ibl h GLN 84 N -0.69 0.38 0.00 1.92 4.20 0.83 -2.68 115.11 119.07 1ibl h GLN 84 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ibl h GLN 84 Cb 0.23 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ibl h GLN 84 CO 0.00 0.25 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 1ibl n LEU 85 N -4.88 2.67 0.00 1.46 4.77 -0.60 -4.72 117.00 115.70 1ibl n LEU 85 Ca 0.30 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1ibl n LEU 85 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1ibl n LEU 85 CO 0.16 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 177.02 1ibl n MET 86 N -0.50 0.00 -3.07 3.23 1.56 0.01 -2.84 117.12 115.51 1ibl n MET 86 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.33 1ibl n MET 86 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 1ibl n MET 86 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1ibl s THR 87 N 0.00 -0.60 -0.03 1.12 2.01 -1.26 -4.94 115.64 111.94 1ibl s THR 87 Ca 0.00 -1.18 0.07 0.00 0.31 0.00 0.00 61.69 60.88 1ibl s THR 87 Cb 0.00 -0.38 0.11 0.00 0.01 0.00 0.00 72.50 72.24 1ibl s THR 87 CO 0.00 -0.37 1.05 0.18 -0.69 0.00 0.00 174.62 174.80 1ibl n LEU 88 N 3.39 0.61 -4.40 4.42 4.77 -1.13 -5.11 117.00 119.54 1ibl n LEU 88 Ca 0.18 -1.57 -0.32 0.00 -0.03 0.00 0.00 56.01 54.27 1ibl n LEU 88 Cb 0.52 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.67 1ibl n LEU 88 CO 0.03 0.39 -0.12 0.47 -1.33 0.00 0.00 177.39 176.83 1ibl n ASP 89 N -0.22 -1.95 0.15 -1.43 8.00 -1.26 -5.01 116.55 114.83 1ibl n ASP 89 Ca 0.04 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1ibl n ASP 89 Cb 0.74 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1ibl n ASP 89 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ibl n LEU 90 N -1.86 -1.35 -4.71 0.64 4.77 -1.26 -5.14 117.00 108.09 1ibl n LEU 90 Ca 0.05 0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 56.20 1ibl n LEU 90 Cb 0.56 1.42 0.04 0.00 -2.33 0.00 0.00 43.42 43.11 1ibl n LEU 90 CO 0.51 -0.43 0.88 -0.81 -1.33 0.00 0.00 177.39 176.21 1ibl n PRO 91 N -3.33 1.52 -0.06 3.23 -0.04 -1.26 -4.98 135.00 130.08 1ibl n PRO 91 Ca 0.00 0.56 -0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1ibl n PRO 91 Cb 0.00 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 30.84 1ibl n PRO 91 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ibl n THR 92 N -1.13 0.97 -1.49 0.52 -1.04 -1.26 -4.54 114.28 106.31 1ibl n THR 92 Ca 0.11 -0.74 -0.27 0.00 -2.04 0.00 0.00 64.05 61.12 1ibl n THR 92 Cb 0.45 -0.37 -0.06 0.00 -1.82 0.00 0.00 70.33 68.53 1ibl n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibl n GLY 93 N 1.57 4.33 3.23 3.41 0.00 -1.26 -4.90 105.19 111.57 1ibl n GLY 93 Ca -0.22 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 1ibl n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 94 N -2.17 0.11 -0.04 1.61 1.01 -1.26 -4.25 120.40 115.41 1ibl s VAL 94 Ca 0.59 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1ibl s VAL 94 Cb 0.38 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1ibl s VAL 94 CO -0.22 -0.51 0.09 -0.70 0.00 0.00 0.00 175.10 173.76 1ibl s GLU 95 N -3.41 0.06 0.05 2.72 2.12 -1.20 -5.05 118.70 113.99 1ibl s GLU 95 Ca 0.01 0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.63 1ibl s GLU 95 Cb 0.02 -0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 1ibl s GLU 95 CO -0.09 -0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 174.75 1ibl s ILE 96 N 0.67 1.62 -0.09 -3.70 1.01 -1.26 -2.28 121.20 117.17 1ibl s ILE 96 Ca -0.05 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.40 1ibl s ILE 96 Cb -0.07 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1ibl s ILE 96 CO -0.03 0.15 -0.20 -1.61 0.00 0.00 0.00 174.94 173.24 1ibl s GLU 97 N -1.28 2.93 -0.05 2.79 0.41 -0.35 -5.00 118.70 118.15 1ibl s GLU 97 Ca 0.07 -0.82 0.01 0.00 -0.41 0.00 0.00 54.97 53.82 1ibl s GLU 97 Cb -0.09 -2.35 0.02 0.00 -1.78 0.00 0.00 34.13 29.93 1ibl s GLU 97 CO 0.02 0.29 -0.07 0.42 -0.49 0.00 0.00 175.26 175.43 1ibl s ILE 98 N 0.08 0.77 -0.35 -1.63 1.01 -1.26 -0.33 121.20 119.49 1ibl s ILE 98 Ca -0.09 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1ibl s ILE 98 Cb -0.15 -0.75 0.15 0.00 0.01 0.00 0.00 42.46 41.72 1ibl s ILE 98 CO 0.06 0.28 0.38 -0.75 0.00 0.00 0.00 174.94 174.90 1ibl s LYS 99 N 0.85 0.57 0.00 2.79 2.20 0.90 -5.01 119.74 122.03 1ibl s LYS 99 Ca -0.12 -0.59 0.26 0.00 -0.36 0.00 0.00 55.97 55.16 1ibl s LYS 99 Cb -0.15 -0.62 0.60 0.00 -1.51 0.00 0.00 37.83 36.15 1ibl s LYS 99 CO 0.01 -1.15 1.49 2.41 -0.36 0.00 0.00 175.35 177.76