#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibx n LEU 2 N 0.00 0.00 -2.18 4.03 4.77 -1.26 -4.84 117.00 117.52 1ibx n LEU 2 Ca 0.00 -0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.53 1ibx n LEU 2 Cb 0.00 -0.27 0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1ibx n LEU 2 CO 0.00 -1.76 1.29 1.67 -1.33 0.00 0.00 177.39 177.26 1ibx n GLN 3 N -2.03 2.27 -2.69 3.23 0.00 -1.26 -4.41 117.38 112.48 1ibx n GLN 3 Ca 0.03 -2.87 -0.06 0.00 -0.00 0.00 0.00 57.00 54.10 1ibx n GLN 3 Cb 0.14 -2.13 0.10 0.00 0.00 0.00 0.00 30.24 28.35 1ibx n GLN 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ibx n LYS 4 N -0.97 0.56 -1.83 3.69 3.00 -1.26 -5.15 118.16 116.20 1ibx n LYS 4 Ca 0.57 -1.28 -0.30 0.00 -0.00 0.00 0.00 58.31 57.31 1ibx n LYS 4 Cb 1.36 -0.52 0.16 0.00 0.00 0.00 0.00 35.03 36.03 1ibx n LYS 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ibx s PRO 5 N 0.14 0.84 0.29 1.64 0.04 -1.26 -4.82 135.00 131.88 1ibx s PRO 5 Ca 0.20 -0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.09 1ibx s PRO 5 Cb 0.29 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.96 1ibx s PRO 5 CO -0.13 -2.31 0.43 0.21 0.04 0.00 0.00 177.00 175.24 1ibx s LYS 6 N -5.74 3.28 -0.35 4.56 2.20 -1.23 -4.82 119.74 117.64 1ibx s LYS 6 Ca 0.70 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 55.17 1ibx s LYS 6 Cb -0.07 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1ibx s LYS 6 CO 0.52 0.22 1.10 0.45 -0.36 0.00 0.00 175.35 177.28 1ibx s SER 7 N -4.08 6.87 -0.31 1.43 0.15 -1.26 -3.38 113.70 113.13 1ibx s SER 7 Ca 0.40 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 57.97 1ibx s SER 7 Cb -0.09 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.79 1ibx s SER 7 CO 0.31 -0.96 0.16 0.54 1.20 0.00 0.00 173.24 174.49 1ibx s VAL 8 N 3.83 -0.04 0.64 4.45 0.11 -1.19 -3.89 120.40 124.32 1ibx s VAL 8 Ca 0.46 -0.99 -0.10 0.00 -2.93 0.00 0.00 61.98 58.42 1ibx s VAL 8 Cb -0.11 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1ibx s VAL 8 CO 0.19 -0.78 1.03 -0.54 -3.33 0.00 0.00 175.10 171.67 1ibx s LYS 9 N 1.84 3.25 0.33 1.54 1.02 -1.26 -2.89 119.74 123.57 1ibx s LYS 9 Ca 0.11 0.54 0.04 0.00 0.02 0.00 0.00 55.97 56.69 1ibx s LYS 9 Cb -0.18 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 34.98 1ibx s LYS 9 CO -0.27 -0.74 0.04 -0.51 -0.92 0.00 0.00 175.35 172.96 1ibx s LEU 10 N -5.21 2.28 0.17 3.17 1.43 0.10 -3.35 118.68 117.27 1ibx s LEU 10 Ca 0.56 -1.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1ibx s LEU 10 Cb -0.11 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1ibx s LEU 10 CO 0.52 -0.57 0.24 -0.60 0.23 0.00 0.00 176.35 176.17 1ibx s ARG 11 N -3.86 1.15 0.22 1.70 3.52 -0.55 -3.01 118.95 118.12 1ibx s ARG 11 Ca 0.36 -1.28 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1ibx s ARG 11 Cb 0.08 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.77 1ibx s ARG 11 CO 0.15 -0.41 -0.01 0.00 -0.81 0.00 0.00 175.30 174.23 1ibx s ALA 12 N -4.01 1.71 -0.01 6.12 0.00 -1.01 -2.10 121.76 122.46 1ibx s ALA 12 Ca 0.21 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.38 1ibx s ALA 12 Cb 0.04 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1ibx s ALA 12 CO 0.02 -0.26 -0.13 1.28 0.00 0.00 0.00 175.76 176.67 1ibx n LEU 13 N -0.38 1.41 -0.10 0.00 4.77 -1.25 -4.64 117.00 116.81 1ibx n LEU 13 Ca -0.05 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1ibx n LEU 13 Cb 0.64 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1ibx n LEU 13 CO 0.36 -0.57 0.50 -0.09 -1.33 0.00 0.00 177.39 176.26 1ibx h ARG 14 N -0.38 -0.43 -5.59 3.23 2.43 -1.99 -3.39 114.38 108.26 1ibx h ARG 14 Ca 0.00 0.03 -0.65 0.00 -0.81 0.00 0.00 59.98 58.55 1ibx h ARG 14 Cb 0.38 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 29.90 1ibx h ARG 14 CO 0.00 -0.29 -0.56 0.45 -1.51 0.00 0.00 179.97 178.06 1ibx s SER 15 N -4.97 5.70 -1.08 -3.80 0.15 -1.26 -5.01 113.70 103.43 1ibx s SER 15 Ca -0.14 0.20 -0.23 0.00 0.70 0.00 0.00 55.95 56.48 1ibx s SER 15 Cb 0.08 -1.84 -0.06 0.00 -1.71 0.00 0.00 66.02 62.50 1ibx s SER 15 CO 0.61 0.30 1.90 -2.16 1.20 0.00 0.00 173.24 175.09 1ibx s PRO 16 N -0.39 2.66 -0.01 5.44 0.04 -1.26 -4.57 135.00 136.91 1ibx s PRO 16 Ca 0.09 -0.88 -0.08 0.00 0.04 0.00 0.00 61.00 60.17 1ibx s PRO 16 Cb -0.12 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.23 1ibx s PRO 16 CO 0.02 -3.57 0.17 0.50 0.04 0.00 0.00 177.00 174.16 1ibx s ARG 17 N 6.47 0.49 -0.15 4.56 3.52 -1.26 -5.07 118.95 127.51 1ibx s ARG 17 Ca 0.67 -0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1ibx s ARG 17 Cb -0.03 0.21 0.05 0.00 -1.56 0.00 0.00 34.95 33.62 1ibx s ARG 17 CO 0.06 -0.12 0.02 -1.59 -0.81 0.00 0.00 175.30 172.87 1ibx s LYS 18 N -1.24 0.68 -0.25 5.12 -2.85 -1.26 -2.41 119.74 117.52 1ibx s LYS 18 Ca -0.13 -0.23 -0.13 0.00 -1.00 0.00 0.00 55.97 54.48 1ibx s LYS 18 Cb -0.07 -1.69 -0.04 0.00 -2.06 0.00 0.00 37.83 33.96 1ibx s LYS 18 CO 0.02 -0.51 0.26 -0.06 0.10 0.00 0.00 175.35 175.16 1ibx s PHE 19 N 1.89 3.28 -0.23 1.78 0.40 -1.16 -4.90 117.98 119.04 1ibx s PHE 19 Ca 0.01 0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.56 1ibx s PHE 19 Cb -0.15 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1ibx s PHE 19 CO -0.07 -0.09 0.11 0.20 0.70 0.00 0.00 175.22 176.07 1ibx s GLY 20 N 1.41 1.89 -0.02 4.36 0.00 -1.26 0.00 107.32 113.70 1ibx s GLY 20 Ca 0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1ibx s GLY 20 CO 0.08 0.35 0.04 0.14 0.00 0.00 0.00 173.10 173.71 1ibx s VAL 21 N 1.06 -0.03 -0.78 1.40 1.01 -1.14 -4.95 120.40 116.97 1ibx s VAL 21 Ca 0.05 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1ibx s VAL 21 Cb -0.14 -0.08 0.20 0.00 0.00 0.00 0.00 36.38 36.37 1ibx s VAL 21 CO 0.04 0.05 0.68 0.00 0.00 0.00 0.00 175.10 175.87 1ibx s ALA 22 N 0.60 3.97 -0.03 5.51 0.00 -1.26 -3.19 121.76 127.35 1ibx s ALA 22 Ca -0.05 -3.37 0.01 0.00 0.00 0.00 0.00 51.96 48.55 1ibx s ALA 22 Cb -0.07 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ibx s ALA 22 CO -0.02 -2.21 -0.01 0.20 0.00 0.00 0.00 175.76 173.72 1ibx s GLY 23 N 1.48 1.84 0.19 0.00 0.00 -1.22 -4.41 107.32 105.20 1ibx s GLY 23 Ca 0.19 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 44.10 1ibx s GLY 23 CO -0.07 -0.73 1.37 -0.09 0.00 0.00 0.00 173.10 173.58 1ibx h ARG 24 N 4.69 0.00 -5.63 2.90 2.43 -1.87 -3.27 114.38 113.63 1ibx h ARG 24 Ca -0.49 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.07 1ibx h ARG 24 Cb 1.18 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1ibx h ARG 24 CO 0.56 0.81 0.29 0.45 -1.51 0.00 0.00 179.97 180.57 1ibx s SER 25 N -6.64 6.69 0.00 -3.80 0.15 -1.26 -4.84 113.70 103.99 1ibx s SER 25 Ca 0.02 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1ibx s SER 25 Cb 0.10 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1ibx s SER 25 CO 0.79 -0.43 0.54 0.00 1.20 0.00 0.00 173.24 175.34 1ibx h GLN 27 N 0.00 0.03 0.58 0.00 4.15 -1.21 0.56 115.11 119.22 1ibx h GLN 27 Ca 0.00 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1ibx h GLN 27 Cb 0.00 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.69 1ibx h GLN 27 CO 0.00 0.02 -0.28 0.93 -1.93 0.00 0.00 178.83 177.57 1ibx h GLU 28 N 0.03 -0.75 -0.31 1.69 5.08 -1.81 0.55 114.58 119.05 1ibx h GLU 28 Ca 0.85 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 59.30 1ibx h GLU 28 Cb 2.44 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 31.79 1ibx h GLU 28 CO -0.62 -0.50 -0.53 0.28 -1.00 0.00 0.00 179.01 176.64 1ibx h VAL 29 N -0.79 0.00 -0.65 3.13 2.07 0.14 -0.24 116.25 119.91 1ibx h VAL 29 Ca -0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1ibx h VAL 29 Cb 0.60 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 1ibx h VAL 29 CO 0.13 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.78 1ibx h LEU 30 N -0.44 -0.03 -0.14 2.57 3.38 -1.43 -1.33 115.31 117.90 1ibx h LEU 30 Ca 0.06 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1ibx h LEU 30 Cb 0.60 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1ibx h LEU 30 CO -0.53 -0.02 -0.31 -0.09 0.09 0.00 0.00 178.44 177.58 1ibx h ARG 31 N 0.24 -0.36 0.00 1.13 2.43 0.83 0.56 114.38 119.21 1ibx h ARG 31 Ca 0.35 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1ibx h ARG 31 Cb 0.56 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1ibx h ARG 31 CO -0.46 -0.24 0.00 1.63 -1.51 0.00 0.00 179.97 179.39 1ibx n LYS 32 N -5.40 0.00 -0.23 0.20 5.02 -0.57 0.08 118.16 117.26 1ibx n LYS 32 Ca -0.03 0.53 -0.10 0.00 -2.02 0.00 0.00 58.31 56.69 1ibx n LYS 32 Cb 0.32 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1ibx n LYS 32 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ibx h GLY 33 N 0.00 -0.66 0.13 0.72 0.00 -1.24 0.16 103.07 102.18 1ibx h GLY 33 Ca 0.00 0.65 0.13 0.00 0.00 0.00 0.00 47.33 48.10 1ibx h GLY 33 CO 0.00 -0.12 0.19 0.00 0.00 0.00 0.00 176.54 176.61 1ibx h LEU 35 N 0.31 1.07 -2.11 0.00 3.38 0.24 -0.64 115.31 117.56 1ibx h LEU 35 Ca 0.36 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1ibx h LEU 35 Cb 0.55 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ibx h LEU 35 CO -0.42 0.76 0.02 -0.09 0.09 0.00 0.00 178.44 178.80 1ibx h ARG 36 N 1.26 0.00 -0.00 1.13 9.65 0.82 0.21 114.38 127.44 1ibx h ARG 36 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1ibx h ARG 36 Cb -0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1ibx h ARG 36 CO -0.09 0.00 -0.03 1.19 2.80 0.00 0.00 179.97 183.84 1ibx n PHE 37 N -4.37 0.00 -3.64 2.20 3.01 -0.26 -4.93 117.46 109.47 1ibx n PHE 37 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.21 1ibx n PHE 37 Cb 0.11 -0.36 0.04 0.00 -0.01 0.00 0.00 39.48 39.27 1ibx n PHE 37 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ibx n GLN 38 N -1.35 -3.88 -4.74 -1.08 1.13 0.74 -4.97 117.38 103.23 1ibx n GLN 38 Ca 0.11 0.62 -0.33 0.00 -1.94 0.00 0.00 57.00 55.46 1ibx n GLN 38 Cb 0.29 -5.06 -0.14 0.00 0.11 0.00 0.00 30.24 25.43 1ibx n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ibx s LEU 39 N -6.47 2.71 1.04 1.08 1.43 -1.25 -5.08 118.68 112.14 1ibx s LEU 39 Ca 0.15 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 1ibx s LEU 39 Cb -0.04 -1.61 0.22 0.00 0.03 0.00 0.00 46.19 44.78 1ibx s LEU 39 CO 0.81 0.16 1.18 -2.16 0.23 0.00 0.00 176.35 176.57 1ibx s PRO 40 N 0.40 0.04 0.00 1.29 0.04 -1.26 -4.84 135.00 130.67 1ibx s PRO 40 Ca -0.10 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1ibx s PRO 40 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ibx s PRO 40 CO 0.05 -2.88 0.13 -1.91 0.04 0.00 0.00 177.00 172.44 1ibx n GLU 41 N -4.17 0.00 -0.20 4.56 2.13 -1.25 -1.83 120.64 119.87 1ibx n GLU 41 Ca 0.11 0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.92 1ibx n GLU 41 Cb 0.59 -0.64 0.08 0.00 0.27 0.00 0.00 31.44 31.74 1ibx n GLU 41 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ibx h ARG 42 N 0.00 0.57 -0.50 5.31 2.43 -2.02 -2.25 114.38 117.92 1ibx h ARG 42 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ibx h ARG 42 Cb 0.00 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1ibx h ARG 42 CO 0.00 0.37 0.31 0.78 -1.51 0.00 0.00 179.97 179.93 1ibx h GLY 43 N 0.58 0.70 -5.43 2.80 0.00 -1.98 -3.42 103.07 96.33 1ibx h GLY 43 Ca 0.27 -0.24 -0.52 0.00 0.00 0.00 0.00 47.33 46.83 1ibx h GLY 43 CO -0.18 0.23 -0.82 -0.45 0.00 0.00 0.00 176.54 175.31 1ibx s SER 44 N -5.61 1.87 0.01 0.19 0.15 -0.76 -4.56 113.70 104.99 1ibx s SER 44 Ca -0.13 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.30 1ibx s SER 44 Cb 0.12 -0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 1ibx s SER 44 CO 0.74 0.11 -0.25 -0.60 1.20 0.00 0.00 173.24 174.44 1ibx s ARG 45 N 0.17 1.99 0.01 5.44 3.52 0.17 -3.96 118.95 126.30 1ibx s ARG 45 Ca -0.05 -1.00 -0.20 0.00 -0.13 0.00 0.00 55.73 54.35 1ibx s ARG 45 Cb -0.11 -2.03 -0.06 0.00 -1.56 0.00 0.00 34.95 31.19 1ibx s ARG 45 CO 0.02 0.54 0.57 -1.17 -0.81 0.00 0.00 175.30 174.45 1ibx s LEU 46 N -0.91 4.45 0.29 -0.88 1.98 -1.26 -1.16 118.68 121.19 1ibx s LEU 46 Ca 0.11 1.16 -0.00 0.00 -2.89 0.00 0.00 54.13 52.51 1ibx s LEU 46 Cb -0.10 -2.87 -0.02 0.00 0.66 0.00 0.00 46.19 43.85 1ibx s LEU 46 CO 0.01 0.17 0.31 0.00 -1.89 0.00 0.00 176.35 174.95 1ibx s LEU 48 N -3.23 2.70 -0.10 0.00 1.43 -1.26 -0.44 118.68 117.77 1ibx s LEU 48 Ca 0.35 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.67 1ibx s LEU 48 Cb 0.03 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1ibx s LEU 48 CO 0.19 -2.72 -0.13 0.00 0.23 0.00 0.00 176.35 173.92 1ibx n TYR 49 N -3.76 0.68 0.06 0.29 4.19 -1.23 -2.41 117.16 114.98 1ibx n TYR 49 Ca 0.15 0.29 -0.08 0.00 3.31 0.00 0.00 57.90 61.58 1ibx n TYR 49 Cb 0.59 -0.63 -0.05 0.00 0.49 0.00 0.00 39.34 39.75 1ibx n TYR 49 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1ibx h GLU 50 N -0.73 -0.34 0.09 2.98 4.57 -1.90 -3.32 114.58 115.93 1ibx h GLU 50 Ca 0.00 0.02 -0.29 0.00 -1.18 0.00 0.00 59.36 57.92 1ibx h GLU 50 Cb 0.38 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1ibx h GLU 50 CO 0.00 -0.23 -1.52 -0.44 -1.18 0.00 0.00 179.01 175.65 1ibx h ASP 51 N -0.35 0.28 -0.65 1.04 3.32 -1.81 -2.78 116.42 115.47 1ibx h ASP 51 Ca -0.00 -0.79 -0.22 0.00 0.02 0.00 0.00 57.03 56.03 1ibx h ASP 51 Cb 0.35 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.72 1ibx h ASP 51 CO -0.13 1.64 -0.20 0.61 -1.72 0.00 0.00 179.24 179.45 1ibx n GLY 52 N 1.73 1.02 0.00 2.75 0.00 -1.01 -4.01 105.19 105.67 1ibx n GLY 52 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ibx n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ibx n THR 53 N -2.03 0.00 -3.85 2.61 5.66 -1.26 -4.14 114.28 111.27 1ibx n THR 53 Ca -0.11 1.16 -0.12 0.00 -3.05 0.00 0.00 64.05 61.93 1ibx n THR 53 Cb 0.54 -2.13 -0.14 0.00 -1.55 0.00 0.00 70.33 67.06 1ibx n THR 53 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ibx s GLU 54 N -1.81 0.04 -0.16 1.09 -1.05 -1.26 -4.88 118.70 110.68 1ibx s GLU 54 Ca 0.00 0.07 -0.05 0.00 -0.15 0.00 0.00 54.97 54.84 1ibx s GLU 54 Cb 0.00 0.00 0.06 0.00 -0.44 0.00 0.00 34.13 33.75 1ibx s GLU 54 CO 0.00 -0.02 0.10 -1.17 0.95 0.00 0.00 175.26 175.12 1ibx s LEU 55 N 0.10 0.28 -0.19 1.83 1.98 -1.16 -4.69 118.68 116.84 1ibx s LEU 55 Ca -0.01 -0.49 -0.24 0.00 -2.89 0.00 0.00 54.13 50.51 1ibx s LEU 55 Cb -0.01 -0.18 -0.02 0.00 0.66 0.00 0.00 46.19 46.64 1ibx s LEU 55 CO -0.00 -0.33 0.76 0.28 -1.89 0.00 0.00 176.35 175.16 1ibx s THR 56 N 2.16 4.92 0.56 3.68 -1.32 -1.26 -4.60 115.64 119.79 1ibx s THR 56 Ca 0.03 1.46 0.29 0.00 -1.21 0.00 0.00 61.69 62.26 1ibx s THR 56 Cb -0.15 -4.07 0.41 0.00 -1.51 0.00 0.00 72.50 67.18 1ibx s THR 56 CO -0.08 0.04 1.92 -0.33 -2.21 0.00 0.00 174.62 173.96 1ibx h GLU 57 N 7.46 0.00 -0.37 7.08 5.08 -1.97 -2.71 114.58 129.15 1ibx h GLU 57 Ca -0.29 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1ibx h GLU 57 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1ibx h GLU 57 CO 0.82 0.00 -0.39 0.22 -1.00 0.00 0.00 179.01 178.66 1ibx h ASP 58 N 0.00 -1.34 -5.51 1.42 3.58 -1.92 -2.80 116.42 109.85 1ibx h ASP 58 Ca 0.27 0.18 -0.24 0.00 0.42 0.00 0.00 57.03 57.67 1ibx h ASP 58 Cb 1.25 0.56 -0.15 0.00 1.72 0.00 0.00 39.33 42.71 1ibx h ASP 58 CO -0.00 -0.25 -0.62 -0.47 -2.88 0.00 0.00 179.24 175.01 1ibx s TYR 59 N -4.81 1.13 0.55 0.28 5.04 -1.02 -2.53 117.35 115.98 1ibx s TYR 59 Ca -0.10 -1.34 -0.12 0.00 -2.44 0.00 0.00 57.07 53.07 1ibx s TYR 59 Cb 0.06 -0.56 -0.05 0.00 0.35 0.00 0.00 41.96 41.76 1ibx s TYR 59 CO 0.43 -0.60 0.96 -0.06 -1.34 0.00 0.00 175.55 174.93 1ibx s PHE 60 N -4.12 3.55 -1.18 4.97 0.08 -1.26 -4.47 117.98 115.56 1ibx s PHE 60 Ca 0.36 1.25 -0.18 0.00 0.12 0.00 0.00 56.93 58.48 1ibx s PHE 60 Cb 0.07 -2.66 -0.03 0.00 -0.57 0.00 0.00 43.02 39.83 1ibx s PHE 60 CO 0.10 -0.48 2.03 -0.35 -0.10 0.00 0.00 175.22 176.42 1ibx n PRO 61 N -2.20 2.33 -1.52 0.24 -0.04 -1.26 -4.34 135.00 128.20 1ibx n PRO 61 Ca 0.05 -2.44 -0.11 0.00 -0.04 0.00 0.00 63.50 60.96 1ibx n PRO 61 Cb 0.54 -3.24 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 1ibx n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ibx n SER 62 N 7.77 -3.10 -3.88 3.54 2.88 -1.26 -4.85 113.62 114.72 1ibx n SER 62 Ca 0.50 0.27 -0.28 0.00 -1.33 0.00 0.00 58.87 58.03 1ibx n SER 62 Cb 0.41 -2.91 -0.12 0.00 -0.75 0.00 0.00 64.21 60.85 1ibx n SER 62 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ibx n VAL 63 N -2.02 1.70 -0.01 2.46 3.14 -1.26 -4.90 118.33 117.44 1ibx n VAL 63 Ca -0.12 -4.90 -0.16 0.00 -2.96 0.00 0.00 64.34 56.20 1ibx n VAL 63 Cb 0.41 -2.19 -0.11 0.00 -1.06 0.00 0.00 33.84 30.89 1ibx n VAL 63 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1ibx h PRO 64 N 5.32 0.31 -0.72 1.45 0.13 -1.93 -3.35 132.00 133.22 1ibx h PRO 64 Ca 0.15 -0.33 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1ibx h PRO 64 Cb 0.75 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 1ibx h PRO 64 CO 0.73 1.02 -0.51 -0.44 -0.23 0.00 0.00 178.00 178.57 1ibx h ASP 65 N -0.27 -1.82 -4.07 1.44 3.32 -1.90 -3.42 116.42 109.70 1ibx h ASP 65 Ca -0.06 0.27 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 1ibx h ASP 65 Cb 1.18 0.79 -0.26 0.00 0.22 0.00 0.00 39.33 41.26 1ibx h ASP 65 CO 0.09 -0.25 -0.67 0.54 -1.72 0.00 0.00 179.24 177.24 1ibx s ASN 66 N -5.06 0.02 -0.66 6.45 2.20 -1.25 -4.07 114.94 112.58 1ibx s ASN 66 Ca -0.11 -0.05 0.06 0.00 -0.94 0.00 0.00 52.86 51.81 1ibx s ASN 66 Cb 0.09 0.10 0.21 0.00 -2.00 0.00 0.00 41.25 39.65 1ibx s ASN 66 CO 0.54 -0.09 0.61 0.00 -2.94 0.00 0.00 177.10 175.22 1ibx n ALA 67 N 2.66 3.69 -2.66 3.54 0.00 -1.26 -4.85 120.51 121.63 1ibx n ALA 67 Ca -0.15 -4.57 -0.43 0.00 0.00 0.00 0.00 53.44 48.29 1ibx n ALA 67 Cb 0.58 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 1ibx n ALA 67 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ibx s GLU 68 N -1.90 3.92 0.07 0.00 2.02 -1.21 -4.33 118.70 117.26 1ibx s GLU 68 Ca 0.33 -1.94 -0.21 0.00 0.02 0.00 0.00 54.97 53.17 1ibx s GLU 68 Cb 0.06 -5.40 -0.06 0.00 0.10 0.00 0.00 34.13 28.83 1ibx s GLU 68 CO -0.09 -2.14 0.62 -0.51 0.02 0.00 0.00 175.26 173.16 1ibx s LEU 69 N 3.82 4.51 -0.33 1.80 2.01 -1.26 -3.52 118.68 125.71 1ibx s LEU 69 Ca 0.50 1.31 -0.09 0.00 0.01 0.00 0.00 54.13 55.85 1ibx s LEU 69 Cb 0.02 -2.99 0.01 0.00 0.01 0.00 0.00 46.19 43.24 1ibx s LEU 69 CO 0.03 0.21 0.15 -0.69 1.01 0.00 0.00 176.35 177.05 1ibx s VAL 70 N -0.82 4.40 0.12 -1.59 1.01 0.41 -1.48 120.40 122.44 1ibx s VAL 70 Ca 0.31 -0.68 -0.35 0.00 0.00 0.00 0.00 61.98 61.26 1ibx s VAL 70 Cb -0.20 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 1ibx s VAL 70 CO 0.20 -0.05 1.06 0.00 0.00 0.00 0.00 175.10 176.30 1ibx n LEU 71 N 4.95 0.67 -3.76 3.92 -0.00 -0.89 -3.58 117.00 118.31 1ibx n LEU 71 Ca -0.13 1.14 -0.24 0.00 -0.00 0.00 0.00 56.01 56.78 1ibx n LEU 71 Cb 0.47 -1.09 -0.17 0.00 -0.00 0.00 0.00 43.42 42.63 1ibx n LEU 71 CO 0.34 -1.71 -0.38 -0.22 -0.00 0.00 0.00 177.39 175.43 1ibx s LEU 72 N 0.81 0.65 -0.43 1.47 1.98 -0.31 -3.81 118.68 119.05 1ibx s LEU 72 Ca 0.78 -0.21 0.05 0.00 -2.89 0.00 0.00 54.13 51.86 1ibx s LEU 72 Cb -1.00 -0.45 0.17 0.00 0.66 0.00 0.00 46.19 45.58 1ibx s LEU 72 CO 0.54 -0.22 0.43 0.28 -1.89 0.00 0.00 176.35 175.49 1ibx s THR 73 N 1.97 -0.03 0.08 3.68 -1.32 -1.26 0.45 115.64 119.21 1ibx s THR 73 Ca 0.04 -2.14 -0.08 0.00 -1.21 0.00 0.00 61.69 58.31 1ibx s THR 73 Cb -0.13 -0.92 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 1ibx s THR 73 CO -0.06 -0.90 0.16 -0.22 -2.21 0.00 0.00 174.62 171.39 1ibx s LEU 74 N 0.36 1.57 0.60 9.08 1.98 -1.26 -4.93 118.68 126.08 1ibx s LEU 74 Ca 0.31 -0.70 0.30 0.00 -2.89 0.00 0.00 54.13 51.15 1ibx s LEU 74 Cb 0.01 0.92 1.08 0.00 0.66 0.00 0.00 46.19 48.86 1ibx s LEU 74 CO -0.15 -0.71 1.39 1.23 -1.89 0.00 0.00 176.35 176.22 1ibx h GLY 75 N 2.82 0.00 -2.80 7.98 0.00 -2.00 -3.38 103.07 105.68 1ibx h GLY 75 Ca -0.34 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.55 1ibx h GLY 75 CO 0.57 0.00 -0.74 -0.86 0.00 0.00 0.00 176.54 175.51 1ibx s GLN 76 N -4.52 1.26 0.72 4.80 -2.07 -1.26 -5.14 119.66 113.45 1ibx s GLN 76 Ca -0.03 -1.51 -0.11 0.00 -1.82 0.00 0.00 55.36 51.89 1ibx s GLN 76 Cb 0.16 -1.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.03 1ibx s GLN 76 CO 0.53 0.19 1.11 0.00 -1.32 0.00 0.00 175.29 175.80 1ibx s ALA 77 N -2.78 2.87 0.30 2.60 0.00 -1.26 -4.84 121.76 118.66 1ibx s ALA 77 Ca 0.19 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1ibx s ALA 77 Cb -0.02 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1ibx s ALA 77 CO 0.06 -1.21 0.87 -0.46 0.00 0.00 0.00 175.76 175.02 1ibx s TRP 78 N -3.38 3.63 -0.40 0.00 -0.11 -1.26 -5.02 118.94 112.39 1ibx s TRP 78 Ca 0.59 1.63 0.06 0.00 1.22 0.00 0.00 56.10 59.59 1ibx s TRP 78 Cb -0.11 -2.81 0.21 0.00 -1.50 0.00 0.00 33.47 29.26 1ibx s TRP 78 CO 0.51 0.21 0.43 0.94 -4.62 0.00 0.00 176.95 174.42 1ibx n GLN 79 N 0.45 0.43 -1.42 5.86 7.27 -1.26 -4.12 117.38 124.58 1ibx n GLN 79 Ca 0.01 -3.17 -0.34 0.00 0.07 0.00 0.00 57.00 53.57 1ibx n GLN 79 Cb 0.51 -1.46 -0.05 0.00 2.41 0.00 0.00 30.24 31.65 1ibx n GLN 79 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ibx n GLY 80 N 2.19 4.26 0.00 1.69 0.00 -1.05 -5.03 105.19 107.25 1ibx n GLY 80 Ca 0.26 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1ibx n GLY 80 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89