#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 -1.00 3.17 4.32 -1.26 -4.99 117.00 117.23 1ibx n LEU 2 Ca 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 56.01 55.44 1ibx n LEU 2 Cb 0.00 -0.38 0.16 0.00 -1.62 0.00 0.00 43.42 41.57 1ibx n LEU 2 CO 0.00 -1.02 0.33 1.67 -1.22 0.00 0.00 177.39 177.14 1ibx n GLN 3 N -2.26 2.15 -2.67 3.23 -0.06 -1.26 -4.76 117.38 111.75 1ibx n GLN 3 Ca 0.06 -3.54 -0.04 0.00 -2.00 0.00 0.00 57.00 51.49 1ibx n GLN 3 Cb 0.22 -1.81 0.10 0.00 -4.06 0.00 0.00 30.24 24.69 1ibx n GLN 3 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ibx n LYS 4 N -1.01 0.23 -2.12 3.69 5.02 -1.26 -5.16 118.16 117.55 1ibx n LYS 4 Ca 0.26 -0.82 -0.28 0.00 -2.02 0.00 0.00 58.31 55.46 1ibx n LYS 4 Cb 0.78 -0.21 0.13 0.00 -0.02 0.00 0.00 35.03 35.71 1ibx n LYS 4 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ibx s PRO 5 N 0.06 1.37 0.32 1.97 0.04 -1.26 -4.75 135.00 132.74 1ibx s PRO 5 Ca 0.19 -0.45 0.07 0.00 0.04 0.00 0.00 61.00 60.84 1ibx s PRO 5 Cb 0.27 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1ibx s PRO 5 CO -0.17 -1.85 0.39 0.21 0.04 0.00 0.00 177.00 175.61 1ibx s LYS 6 N -5.56 3.03 -0.43 4.56 2.20 -1.13 -4.81 119.74 117.60 1ibx s LYS 6 Ca 0.68 -1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1ibx s LYS 6 Cb -0.07 -2.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1ibx s LYS 6 CO 0.49 0.14 1.14 -1.12 -0.36 0.00 0.00 175.35 175.64 1ibx s SER 7 N -4.07 6.69 -0.29 1.43 0.01 -1.25 -3.24 113.70 112.98 1ibx s SER 7 Ca 0.42 0.64 -0.04 0.00 1.31 0.00 0.00 55.95 58.27 1ibx s SER 7 Cb -0.08 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.70 1ibx s SER 7 CO 0.29 -1.17 0.13 0.54 0.41 0.00 0.00 173.24 173.44 1ibx s VAL 8 N 4.31 -0.08 0.83 3.43 0.11 -1.22 -3.49 120.40 124.30 1ibx s VAL 8 Ca 0.48 -0.74 -0.13 0.00 -2.93 0.00 0.00 61.98 58.67 1ibx s VAL 8 Cb -0.09 -0.97 0.10 0.00 -1.53 0.00 0.00 36.38 33.89 1ibx s VAL 8 CO 0.28 -0.71 1.20 -0.54 -3.33 0.00 0.00 175.10 171.99 1ibx s LYS 9 N 2.11 1.76 0.23 1.54 1.02 -1.26 -2.94 119.74 122.19 1ibx s LYS 9 Ca 0.09 0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.16 1ibx s LYS 9 Cb -0.16 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 1ibx s LYS 9 CO -0.36 -1.73 0.03 -1.17 -0.92 0.00 0.00 175.35 171.20 1ibx s LEU 10 N -5.64 2.00 0.10 3.17 0.20 0.54 -3.53 118.68 115.53 1ibx s LEU 10 Ca 0.64 -1.26 -0.08 0.00 0.69 0.00 0.00 54.13 54.11 1ibx s LEU 10 Cb -0.10 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.53 1ibx s LEU 10 CO 0.50 -0.60 0.19 -0.60 -0.29 0.00 0.00 176.35 175.54 1ibx s ARG 11 N -3.93 0.89 0.24 1.98 3.52 -0.32 -2.66 118.95 118.66 1ibx s ARG 11 Ca 0.30 -1.04 0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1ibx s ARG 11 Cb 0.07 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.74 1ibx s ARG 11 CO 0.09 -0.29 -0.04 0.00 -0.81 0.00 0.00 175.30 174.25 1ibx s ALA 12 N -3.90 1.97 -0.03 6.12 0.00 -0.76 -1.69 121.76 123.48 1ibx s ALA 12 Ca 0.08 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.19 1ibx s ALA 12 Cb 0.05 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1ibx s ALA 12 CO -0.08 -0.15 -0.15 1.28 0.00 0.00 0.00 175.76 176.66 1ibx n LEU 13 N -0.45 1.43 -0.23 0.00 4.77 -1.25 -4.60 117.00 116.66 1ibx n LEU 13 Ca -0.06 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1ibx n LEU 13 Cb 0.63 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1ibx n LEU 13 CO 0.37 -0.53 0.49 -0.09 -1.33 0.00 0.00 177.39 176.30 1ibx h ARG 14 N -0.44 -0.22 -6.01 3.23 2.43 -1.97 -3.39 114.38 108.00 1ibx h ARG 14 Ca 0.00 0.01 -0.66 0.00 -0.81 0.00 0.00 59.98 58.52 1ibx h ARG 14 Cb 0.44 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.93 1ibx h ARG 14 CO 0.00 -0.15 -0.59 0.45 -1.51 0.00 0.00 179.97 178.17 1ibx s SER 15 N -5.08 5.52 -1.12 -3.80 0.15 -1.26 -5.02 113.70 103.10 1ibx s SER 15 Ca -0.13 0.13 -0.22 0.00 0.70 0.00 0.00 55.95 56.43 1ibx s SER 15 Cb 0.09 -1.56 -0.02 0.00 -1.71 0.00 0.00 66.02 62.81 1ibx s SER 15 CO 0.58 0.30 1.83 -2.16 1.20 0.00 0.00 173.24 174.98 1ibx s PRO 16 N -1.52 2.98 0.01 5.44 0.04 -1.26 -4.59 135.00 136.09 1ibx s PRO 16 Ca 0.20 -1.13 -0.09 0.00 0.04 0.00 0.00 61.00 60.02 1ibx s PRO 16 Cb -0.12 -5.28 0.01 0.00 0.04 0.00 0.00 34.50 29.15 1ibx s PRO 16 CO 0.11 -3.22 0.18 0.50 0.04 0.00 0.00 177.00 174.60 1ibx s ARG 17 N 5.91 0.55 -0.12 4.56 3.52 -1.26 -5.07 118.95 127.04 1ibx s ARG 17 Ca 0.63 -0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.79 1ibx s ARG 17 Cb -0.01 0.23 0.05 0.00 -1.56 0.00 0.00 34.95 33.66 1ibx s ARG 17 CO 0.06 -0.14 0.09 -1.59 -0.81 0.00 0.00 175.30 172.91 1ibx s LYS 18 N -1.55 0.02 -0.11 5.12 -2.85 -1.26 -1.82 119.74 117.28 1ibx s LYS 18 Ca -0.13 0.16 -0.16 0.00 -1.00 0.00 0.00 55.97 54.83 1ibx s LYS 18 Cb -0.06 -1.18 -0.05 0.00 -2.06 0.00 0.00 37.83 34.48 1ibx s LYS 18 CO 0.01 -0.52 0.41 -0.06 0.10 0.00 0.00 175.35 175.29 1ibx s PHE 19 N 2.18 3.53 -0.22 1.78 0.40 -1.09 -4.85 117.98 119.71 1ibx s PHE 19 Ca 0.04 0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 57.14 1ibx s PHE 19 Cb -0.14 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 1ibx s PHE 19 CO -0.07 0.27 -0.05 0.20 0.70 0.00 0.00 175.22 176.27 1ibx s GLY 20 N 0.30 1.60 -0.02 4.36 0.00 -1.26 0.20 107.32 112.50 1ibx s GLY 20 Ca 0.23 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1ibx s GLY 20 CO 0.09 0.42 0.04 0.14 0.00 0.00 0.00 173.10 173.78 1ibx s VAL 21 N 1.46 -0.03 -0.80 1.40 1.01 -1.15 -4.94 120.40 117.34 1ibx s VAL 21 Ca 0.06 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1ibx s VAL 21 Cb -0.14 -0.08 0.21 0.00 0.00 0.00 0.00 36.38 36.37 1ibx s VAL 21 CO -0.04 0.04 0.74 0.00 0.00 0.00 0.00 175.10 175.84 1ibx s ALA 22 N 0.52 4.04 0.09 5.51 0.00 -1.26 -3.37 121.76 127.29 1ibx s ALA 22 Ca -0.04 -3.26 0.05 0.00 0.00 0.00 0.00 51.96 48.70 1ibx s ALA 22 Cb -0.06 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1ibx s ALA 22 CO -0.02 -2.25 0.01 0.20 0.00 0.00 0.00 175.76 173.70 1ibx s GLY 23 N 2.23 1.92 0.10 0.00 0.00 -1.20 -4.42 107.32 105.95 1ibx s GLY 23 Ca 0.17 -1.12 0.15 0.00 0.00 0.00 0.00 44.72 43.92 1ibx s GLY 23 CO -0.08 -1.10 0.96 -0.09 0.00 0.00 0.00 173.10 172.79 1ibx h ARG 24 N 3.37 0.00 -5.42 2.90 2.43 -1.86 -2.98 114.38 112.82 1ibx h ARG 24 Ca -0.48 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.09 1ibx h ARG 24 Cb 1.17 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.60 1ibx h ARG 24 CO 0.60 0.40 -0.09 0.45 -1.51 0.00 0.00 179.97 179.82 1ibx s SER 25 N -6.01 6.47 0.00 -3.80 0.15 -1.26 -4.85 113.70 104.40 1ibx s SER 25 Ca -0.01 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1ibx s SER 25 Cb 0.08 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1ibx s SER 25 CO 0.80 -0.19 0.60 0.00 1.20 0.00 0.00 173.24 175.66 1ibx n GLN 27 N -0.88 -0.06 0.30 0.00 7.27 0.29 -0.52 117.38 123.79 1ibx n GLN 27 Ca 0.00 1.36 -0.12 0.00 0.07 0.00 0.00 57.00 58.31 1ibx n GLN 27 Cb 0.00 -2.46 -0.06 0.00 2.41 0.00 0.00 30.24 30.13 1ibx n GLN 27 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1ibx h GLU 28 N 0.00 -0.74 -0.62 3.69 5.08 -1.76 0.23 114.58 120.46 1ibx h GLU 28 Ca 0.85 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 59.34 1ibx h GLU 28 Cb 2.28 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 31.59 1ibx h GLU 28 CO -0.74 -0.49 -0.48 0.28 -1.00 0.00 0.00 179.01 176.57 1ibx h VAL 29 N -0.78 0.05 0.20 3.13 2.07 0.20 -0.25 116.25 120.88 1ibx h VAL 29 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ibx h VAL 29 Cb 0.59 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1ibx h VAL 29 CO 0.13 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.40 1ibx h LEU 30 N -0.23 -0.67 -0.64 2.57 3.38 -1.37 -2.72 115.31 115.62 1ibx h LEU 30 Ca 0.16 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1ibx h LEU 30 Cb 0.55 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 1ibx h LEU 30 CO -0.72 -0.35 -0.42 -0.09 0.09 0.00 0.00 178.44 176.95 1ibx h ARG 31 N -0.50 -0.17 0.00 1.13 2.43 0.69 0.73 114.38 118.68 1ibx h ARG 31 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ibx h ARG 31 Cb 0.48 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1ibx h ARG 31 CO -0.08 -0.12 0.00 1.63 -1.51 0.00 0.00 179.97 179.89 1ibx n LYS 32 N -5.41 0.00 -0.30 0.20 5.02 -0.22 0.21 118.16 117.65 1ibx n LYS 32 Ca 0.03 0.14 -0.03 0.00 -2.02 0.00 0.00 58.31 56.43 1ibx n LYS 32 Cb 0.35 -0.90 0.02 0.00 -0.02 0.00 0.00 35.03 34.49 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 -0.05 -0.17 0.72 0.00 -1.42 0.45 103.07 102.60 1ibx h GLY 33 Ca 0.00 0.49 0.20 0.00 0.00 0.00 0.00 47.33 48.02 1ibx h GLY 33 CO 0.00 -0.20 0.30 0.00 0.00 0.00 0.00 176.54 176.64 1ibx h LEU 35 N 0.34 0.64 -1.04 0.00 3.38 0.43 -1.82 115.31 117.25 1ibx h LEU 35 Ca 0.51 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 1ibx h LEU 35 Cb 0.93 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ibx h LEU 35 CO -0.53 0.50 -0.01 -0.09 0.09 0.00 0.00 178.44 178.40 1ibx h ARG 36 N 0.74 0.68 0.00 1.13 9.65 0.15 -1.47 114.38 125.25 1ibx h ARG 36 Ca 0.19 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1ibx h ARG 36 Cb -0.01 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1ibx h ARG 36 CO -0.03 0.70 0.00 1.19 2.80 0.00 0.00 179.97 184.63 1ibx n PHE 37 N -4.23 0.00 -3.21 2.20 3.72 -0.71 -4.93 117.46 110.30 1ibx n PHE 37 Ca 0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.37 1ibx n PHE 37 Cb 0.28 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1ibx n PHE 37 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ibx n GLN 38 N -1.43 -1.38 -4.50 -1.08 6.02 -0.56 -5.00 117.38 109.45 1ibx n GLN 38 Ca 0.07 1.33 -0.26 0.00 -0.01 0.00 0.00 57.00 58.13 1ibx n GLN 38 Cb 0.23 -5.11 -0.17 0.00 1.02 0.00 0.00 30.24 26.21 1ibx n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ibx s LEU 39 N -4.25 1.63 1.04 1.08 1.43 -1.25 -5.08 118.68 113.28 1ibx s LEU 39 Ca 0.02 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1ibx s LEU 39 Cb -0.00 -0.93 0.21 0.00 0.03 0.00 0.00 46.19 45.50 1ibx s LEU 39 CO 0.78 0.02 1.14 -2.16 0.23 0.00 0.00 176.35 176.36 1ibx s PRO 40 N 0.87 0.05 0.00 1.29 0.04 -1.26 -4.83 135.00 131.15 1ibx s PRO 40 Ca -0.10 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1ibx s PRO 40 Cb -0.15 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ibx s PRO 40 CO 0.01 -2.90 0.25 -1.91 0.04 0.00 0.00 177.00 172.49 1ibx n GLU 41 N -4.22 0.00 -0.08 4.56 2.13 -1.26 -1.81 120.64 119.96 1ibx n GLU 41 Ca 0.10 0.08 -0.09 0.00 0.66 0.00 0.00 57.16 57.90 1ibx n GLU 41 Cb 0.59 -0.79 -0.02 0.00 0.27 0.00 0.00 31.44 31.48 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 0.38 -0.95 5.31 2.43 -2.02 -2.49 114.38 117.04 1ibx h ARG 42 Ca 0.00 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1ibx h ARG 42 Cb 0.00 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.40 1ibx h ARG 42 CO 0.00 0.29 0.61 0.78 -1.51 0.00 0.00 179.97 180.14 1ibx h GLY 43 N 0.36 1.44 -6.10 2.80 0.00 -1.98 -3.40 103.07 96.19 1ibx h GLY 43 Ca 0.10 -0.42 -0.47 0.00 0.00 0.00 0.00 47.33 46.54 1ibx h GLY 43 CO -0.02 0.25 -0.79 -0.45 0.00 0.00 0.00 176.54 175.53 1ibx s SER 44 N -5.89 1.45 0.02 0.19 0.15 -0.75 -4.55 113.70 104.32 1ibx s SER 44 Ca -0.12 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.38 1ibx s SER 44 Cb 0.21 -0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 63.83 1ibx s SER 44 CO 0.80 -0.02 -0.20 -0.60 1.20 0.00 0.00 173.24 174.42 1ibx s ARG 45 N 0.88 2.07 -0.04 5.44 3.52 0.22 -4.08 118.95 126.97 1ibx s ARG 45 Ca -0.11 -0.97 -0.18 0.00 -0.13 0.00 0.00 55.73 54.34 1ibx s ARG 45 Cb -0.15 -2.15 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1ibx s ARG 45 CO 0.01 0.55 0.49 -1.17 -0.81 0.00 0.00 175.30 174.37 1ibx s LEU 46 N -1.21 4.39 0.31 -0.88 1.98 -1.26 -0.82 118.68 121.19 1ibx s LEU 46 Ca 0.13 0.98 0.04 0.00 -2.89 0.00 0.00 54.13 52.40 1ibx s LEU 46 Cb -0.10 -2.73 -0.03 0.00 0.66 0.00 0.00 46.19 43.98 1ibx s LEU 46 CO 0.03 0.15 0.20 0.00 -1.89 0.00 0.00 176.35 174.85 1ibx n LEU 48 N -0.58 0.00 -0.03 0.00 4.77 -1.26 -2.06 117.00 117.83 1ibx n LEU 48 Ca 0.03 -1.42 -0.02 0.00 -0.03 0.00 0.00 56.01 54.57 1ibx n LEU 48 Cb 0.64 -1.01 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1ibx n LEU 48 CO 0.33 -1.52 -0.16 0.00 -1.33 0.00 0.00 177.39 174.71 1ibx n TYR 49 N -3.94 0.41 0.18 -1.77 4.19 -1.24 -2.88 117.16 112.11 1ibx n TYR 49 Ca 0.16 0.18 -0.09 0.00 3.31 0.00 0.00 57.90 61.46 1ibx n TYR 49 Cb 0.58 -0.47 -0.04 0.00 0.49 0.00 0.00 39.34 39.89 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 -0.45 -0.50 0.10 2.98 4.81 -1.90 -3.33 114.58 116.28 1ibx h GLU 50 Ca 0.00 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 1ibx h GLU 50 Cb 0.24 0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.75 1ibx h GLU 50 CO 0.00 -0.34 -0.59 -0.44 -0.73 0.00 0.00 179.01 176.91 1ibx h ASP 51 N -0.52 0.36 -0.44 1.04 3.32 -1.83 -3.09 116.42 115.26 1ibx h ASP 51 Ca -0.04 -0.95 -0.16 0.00 0.02 0.00 0.00 57.03 55.89 1ibx h ASP 51 Cb 0.42 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1ibx h ASP 51 CO 0.04 1.28 -0.15 0.61 -1.72 0.00 0.00 179.24 179.30 1ibx n GLY 52 N 1.59 0.76 0.00 2.75 0.00 -1.14 -4.23 105.19 104.92 1ibx n GLY 52 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.04 0.00 -3.86 2.61 5.66 -1.26 -4.12 114.28 111.28 1ibx n THR 53 Ca -0.08 1.16 -0.12 0.00 -3.05 0.00 0.00 64.05 61.96 1ibx n THR 53 Cb 0.54 -2.12 -0.14 0.00 -1.55 0.00 0.00 70.33 67.05 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 -1.86 0.02 -0.16 1.09 -1.05 -1.26 -4.85 118.70 110.63 1ibx s GLU 54 Ca 0.00 0.04 -0.05 0.00 -0.15 0.00 0.00 54.97 54.81 1ibx s GLU 54 Cb 0.00 -0.01 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 1ibx s GLU 54 CO 0.00 -0.01 0.09 -1.17 0.95 0.00 0.00 175.26 175.12 1ibx s LEU 55 N 0.09 0.32 0.32 1.83 1.98 -1.12 -4.59 118.68 117.51 1ibx s LEU 55 Ca -0.01 -0.56 -0.16 0.00 -2.89 0.00 0.00 54.13 50.51 1ibx s LEU 55 Cb -0.01 -0.22 -0.09 0.00 0.66 0.00 0.00 46.19 46.53 1ibx s LEU 55 CO -0.00 -0.34 0.76 0.28 -1.89 0.00 0.00 176.35 175.15 1ibx s THR 56 N 2.15 4.63 -0.06 3.68 -1.32 -1.26 -4.56 115.64 118.89 1ibx s THR 56 Ca 0.02 1.05 0.21 0.00 -1.21 0.00 0.00 61.69 61.77 1ibx s THR 56 Cb -0.16 -3.64 0.20 0.00 -1.51 0.00 0.00 72.50 67.38 1ibx s THR 56 CO -0.09 -0.15 1.66 -0.33 -2.21 0.00 0.00 174.62 173.51 1ibx h GLU 57 N 2.37 0.00 -0.07 7.08 5.08 -1.95 -3.33 114.58 123.76 1ibx h GLU 57 Ca -0.48 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1ibx h GLU 57 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1ibx h GLU 57 CO 0.65 0.28 -0.36 0.22 -1.00 0.00 0.00 179.01 178.79 1ibx h ASP 58 N 0.00 -1.15 -5.68 1.42 3.58 -1.93 0.85 116.42 113.52 1ibx h ASP 58 Ca -0.00 0.13 -0.30 0.00 0.42 0.00 0.00 57.03 57.28 1ibx h ASP 58 Cb 1.01 0.44 -0.14 0.00 1.72 0.00 0.00 39.33 42.36 1ibx h ASP 58 CO 0.04 -0.33 -0.58 -0.47 -2.88 0.00 0.00 179.24 175.01 1ibx s TYR 59 N -4.80 1.33 0.43 0.28 5.04 -1.25 -2.98 117.35 115.39 1ibx s TYR 59 Ca -0.10 -1.46 -0.05 0.00 -2.44 0.00 0.00 57.07 53.01 1ibx s TYR 59 Cb 0.05 -0.60 -0.04 0.00 0.35 0.00 0.00 41.96 41.71 1ibx s TYR 59 CO 0.41 -0.70 0.73 -0.06 -1.34 0.00 0.00 175.55 174.58 1ibx s PHE 60 N -3.96 3.53 -1.09 4.97 0.08 -1.26 -4.50 117.98 115.74 1ibx s PHE 60 Ca 0.39 0.78 -0.19 0.00 0.12 0.00 0.00 56.93 58.03 1ibx s PHE 60 Cb 0.06 -2.25 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 1ibx s PHE 60 CO 0.16 -0.14 2.02 -0.35 -0.10 0.00 0.00 175.22 176.81 1ibx n PRO 61 N -1.87 2.12 -1.49 0.24 -0.04 -1.26 -4.32 135.00 128.37 1ibx n PRO 61 Ca -0.00 -2.29 -0.13 0.00 -0.04 0.00 0.00 63.50 61.05 1ibx n PRO 61 Cb 0.55 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.79 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 7.76 -3.43 -3.86 3.54 2.88 -1.26 -4.85 113.62 114.38 1ibx n SER 62 Ca 0.50 0.30 -0.28 0.00 -1.33 0.00 0.00 58.87 58.06 1ibx n SER 62 Cb 0.41 -3.19 -0.11 0.00 -0.75 0.00 0.00 64.21 60.57 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 -2.03 1.78 0.11 2.46 3.14 -1.26 -4.88 118.33 117.66 1ibx n VAL 63 Ca -0.13 -4.92 -0.23 0.00 -2.96 0.00 0.00 64.34 56.10 1ibx n VAL 63 Cb 0.44 -2.19 -0.15 0.00 -1.06 0.00 0.00 33.84 30.88 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 5.28 0.49 -0.42 1.45 0.13 -1.93 -3.33 132.00 133.68 1ibx h PRO 64 Ca 0.16 -0.80 0.05 0.00 -0.87 0.00 0.00 66.00 64.54 1ibx h PRO 64 Cb 0.74 0.29 -0.08 0.00 0.13 0.00 0.00 31.00 32.09 1ibx h PRO 64 CO 0.74 1.38 -0.50 -0.44 -0.23 0.00 0.00 178.00 178.95 1ibx h ASP 65 N 0.01 -1.69 -2.91 1.44 3.32 -1.90 -3.40 116.42 111.30 1ibx h ASP 65 Ca -0.21 0.22 -0.44 0.00 0.02 0.00 0.00 57.03 56.62 1ibx h ASP 65 Cb 1.98 0.70 -0.40 0.00 0.22 0.00 0.00 39.33 41.83 1ibx h ASP 65 CO 0.24 -0.34 -0.73 0.54 -1.72 0.00 0.00 179.24 177.23 1ibx s ASN 66 N -4.83 2.28 -1.21 6.45 2.20 -1.23 -3.95 114.94 114.65 1ibx s ASN 66 Ca -0.12 -0.61 -0.10 0.00 -0.94 0.00 0.00 52.86 51.08 1ibx s ASN 66 Cb 0.08 -0.12 0.20 0.00 -2.00 0.00 0.00 41.25 39.41 1ibx s ASN 66 CO 0.54 -0.36 1.57 0.00 -2.94 0.00 0.00 177.10 175.91 1ibx n ALA 67 N 5.28 4.67 -2.74 3.54 0.00 -1.25 -4.89 120.51 125.11 1ibx n ALA 67 Ca -0.07 -4.41 -0.42 0.00 0.00 0.00 0.00 53.44 48.54 1ibx n ALA 67 Cb 0.48 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.05 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 0.13 3.36 -0.08 0.00 2.02 -1.23 -4.22 118.70 118.68 1ibx s GLU 68 Ca 0.38 -1.02 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 1ibx s GLU 68 Cb 0.02 -4.66 -0.04 0.00 0.10 0.00 0.00 34.13 29.55 1ibx s GLU 68 CO 0.01 -1.97 0.20 -0.51 0.02 0.00 0.00 175.26 173.01 1ibx s LEU 69 N 4.27 4.40 -0.35 1.80 2.01 -1.25 -3.64 118.68 125.93 1ibx s LEU 69 Ca 0.33 0.56 -0.10 0.00 0.01 0.00 0.00 54.13 54.92 1ibx s LEU 69 Cb -0.08 -2.24 0.01 0.00 0.01 0.00 0.00 46.19 43.89 1ibx s LEU 69 CO 0.01 0.37 0.18 -0.69 1.01 0.00 0.00 176.35 177.24 1ibx s VAL 70 N -1.08 4.59 0.06 -1.59 1.01 -0.88 -1.17 120.40 121.34 1ibx s VAL 70 Ca 0.18 -0.67 -0.38 0.00 0.00 0.00 0.00 61.98 61.12 1ibx s VAL 70 Cb -0.13 -3.47 -0.18 0.00 0.00 0.00 0.00 36.38 32.60 1ibx s VAL 70 CO 0.07 -0.11 1.15 0.00 0.00 0.00 0.00 175.10 176.22 1ibx n LEU 71 N 4.99 0.69 -3.96 3.92 -0.00 -0.68 -3.77 117.00 118.19 1ibx n LEU 71 Ca -0.13 1.14 -0.30 0.00 -0.00 0.00 0.00 56.01 56.73 1ibx n LEU 71 Cb 0.47 -1.05 -0.16 0.00 -0.00 0.00 0.00 43.42 42.68 1ibx n LEU 71 CO 0.35 -1.58 -0.45 -0.22 -0.00 0.00 0.00 177.39 175.49 1ibx s LEU 72 N 0.38 2.17 -0.43 1.47 1.98 0.00 -3.88 118.68 120.38 1ibx s LEU 72 Ca 0.86 -0.88 0.04 0.00 -2.89 0.00 0.00 54.13 51.26 1ibx s LEU 72 Cb -1.10 -1.15 0.17 0.00 0.66 0.00 0.00 46.19 44.77 1ibx s LEU 72 CO 0.53 -0.17 0.41 0.28 -1.89 0.00 0.00 176.35 175.51 1ibx s THR 73 N 1.45 0.07 0.23 3.68 -1.32 -1.26 0.69 115.64 119.18 1ibx s THR 73 Ca -0.01 -2.29 -0.07 0.00 -1.21 0.00 0.00 61.69 58.11 1ibx s THR 73 Cb -0.16 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1ibx s THR 73 CO -0.08 -1.00 0.32 -0.22 -2.21 0.00 0.00 174.62 171.44 1ibx s LEU 74 N 0.26 0.73 0.66 9.08 2.96 -1.26 -4.96 118.68 126.16 1ibx s LEU 74 Ca 0.32 -1.17 0.35 0.00 -0.22 0.00 0.00 54.13 53.42 1ibx s LEU 74 Cb 0.02 1.13 1.94 0.00 0.50 0.00 0.00 46.19 49.77 1ibx s LEU 74 CO -0.16 -1.01 2.10 1.23 -1.32 0.00 0.00 176.35 177.19 1ibx h GLY 75 N 2.41 0.00 -2.84 7.98 0.00 -2.00 -3.41 103.07 105.22 1ibx h GLY 75 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.59 1ibx h GLY 75 CO 0.43 0.00 -0.74 -0.86 0.00 0.00 0.00 176.54 175.37 1ibx s GLN 76 N -4.16 1.24 0.72 4.80 -2.07 -1.26 -5.14 119.66 113.78 1ibx s GLN 76 Ca -0.04 -1.49 -0.12 0.00 -1.82 0.00 0.00 55.36 51.89 1ibx s GLN 76 Cb 0.11 -1.04 0.02 0.00 -1.09 0.00 0.00 33.01 31.01 1ibx s GLN 76 CO 0.35 0.18 1.11 0.00 -1.32 0.00 0.00 175.29 175.60 1ibx s ALA 77 N -2.78 2.83 0.29 2.60 0.00 -1.26 -4.84 121.76 118.59 1ibx s ALA 77 Ca 0.19 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 1ibx s ALA 77 Cb -0.01 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1ibx s ALA 77 CO 0.05 -1.23 0.87 -0.46 0.00 0.00 0.00 175.76 174.99 1ibx s TRP 78 N -3.38 3.68 -0.40 0.00 -0.11 -1.26 -5.01 118.94 112.47 1ibx s TRP 78 Ca 0.59 1.65 0.09 0.00 1.22 0.00 0.00 56.10 59.65 1ibx s TRP 78 Cb -0.11 -2.82 0.30 0.00 -1.50 0.00 0.00 33.47 29.34 1ibx s TRP 78 CO 0.52 0.26 0.69 0.94 -4.62 0.00 0.00 176.95 174.73 1ibx n GLN 79 N 0.63 0.85 -2.18 5.86 7.27 -1.26 -4.12 117.38 124.43 1ibx n GLN 79 Ca 0.00 -3.05 -0.42 0.00 0.07 0.00 0.00 57.00 53.60 1ibx n GLN 79 Cb 0.50 -1.42 -0.00 0.00 2.41 0.00 0.00 30.24 31.73 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 0.89 3.40 0.00 1.69 0.00 -1.17 -5.02 105.19 104.97 1ibx n GLY 80 Ca 0.20 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.78 1ibx n GLY 80 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89