#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s PHE 6 N 0.00 2.98 -0.05 2.11 2.99 -1.26 -4.39 117.98 120.36 1ibl s PHE 6 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 56.93 56.73 1ibl s PHE 6 Cb 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 43.02 41.15 1ibl s PHE 6 CO 0.00 0.14 0.15 -2.00 -0.00 0.00 0.00 175.22 173.51 1ibl s GLU 7 N -0.22 3.39 -0.07 0.44 2.12 0.14 -4.91 118.70 119.59 1ibl s GLU 7 Ca 0.03 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1ibl s GLU 7 Cb -0.13 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1ibl s GLU 7 CO 0.03 0.71 -0.15 -1.21 -0.54 0.00 0.00 175.26 174.10 1ibl s GLU 8 N -1.57 2.75 -0.04 4.30 2.02 -1.26 -1.41 118.70 123.49 1ibl s GLU 8 Ca 0.22 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1ibl s GLU 8 Cb -0.12 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.68 1ibl s GLU 8 CO 0.13 0.49 -0.09 0.21 0.02 0.00 0.00 175.26 176.02 1ibl s LYS 9 N -0.39 1.17 -0.68 1.61 2.47 0.17 -4.96 119.74 119.13 1ibl s LYS 9 Ca 0.04 -0.31 -0.19 0.00 -1.56 0.00 0.00 55.97 53.95 1ibl s LYS 9 Cb -0.12 -1.05 0.11 0.00 -1.46 0.00 0.00 37.83 35.30 1ibl s LYS 9 CO 0.02 0.06 0.82 1.41 0.16 0.00 0.00 175.35 177.83 1ibl s MET 10 N 0.44 3.19 0.19 4.03 -2.45 -1.26 0.11 119.30 123.55 1ibl s MET 10 Ca -0.08 -1.39 -0.14 0.00 -1.25 0.00 0.00 55.69 52.83 1ibl s MET 10 Cb -0.12 -4.37 0.20 0.00 1.25 0.00 0.00 34.83 31.79 1ibl s MET 10 CO 0.01 -1.61 1.66 0.82 1.05 0.00 0.00 175.02 176.95 1ibl h ILE 11 N 5.83 0.51 -1.40 10.11 1.08 -0.57 -3.46 117.51 129.61 1ibl h ILE 11 Ca -0.19 -0.02 0.30 0.00 -0.39 0.00 0.00 64.86 64.56 1ibl h ILE 11 Cb 1.07 0.46 -0.16 0.00 -3.07 0.00 0.00 36.82 35.12 1ibl h ILE 11 CO 1.09 0.01 0.84 -1.48 -0.69 0.00 0.00 178.15 177.92 1ibl s LEU 12 N -10.69 -0.08 -0.02 1.44 -0.00 -1.22 -4.97 118.68 103.14 1ibl s LEU 12 Ca -0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 54.13 53.92 1ibl s LEU 12 Cb 0.17 1.33 0.01 0.00 -0.00 0.00 0.00 46.19 47.71 1ibl s LEU 12 CO 0.73 -0.23 0.05 0.27 -0.00 0.00 0.00 176.35 177.17 1ibl s ILE 13 N -2.37 -0.02 0.11 1.48 -4.36 -1.26 -1.15 121.20 113.64 1ibl s ILE 13 Ca 0.12 0.06 0.04 0.00 -0.26 0.00 0.00 60.65 60.61 1ibl s ILE 13 Cb 0.02 -0.09 -0.04 0.00 1.25 0.00 0.00 42.46 43.60 1ibl s ILE 13 CO -0.04 0.02 -0.11 0.00 0.24 0.00 0.00 174.94 175.05 1ibl s ARG 14 N 0.32 0.90 -0.39 0.37 1.70 -0.09 -4.96 118.95 116.81 1ibl s ARG 14 Ca -0.02 -1.19 -0.08 0.00 -0.47 0.00 0.00 55.73 53.97 1ibl s ARG 14 Cb -0.04 -0.64 0.07 0.00 -0.57 0.00 0.00 34.95 33.77 1ibl s ARG 14 CO -0.01 0.11 0.20 0.50 -1.08 0.00 0.00 175.30 175.02 1ibl s ARG 15 N -2.80 2.55 0.90 3.89 3.00 -1.26 -0.35 118.95 124.88 1ibl s ARG 15 Ca 0.07 -1.39 -0.11 0.00 -1.00 0.00 0.00 55.73 53.30 1ibl s ARG 15 Cb -0.03 -3.65 0.19 0.00 0.00 0.00 0.00 34.95 31.46 1ibl s ARG 15 CO 0.01 -0.86 1.23 -0.08 0.00 0.00 0.00 175.30 175.59 1ibl s THR 16 N 1.39 2.02 -0.28 4.11 -1.32 0.42 -4.87 115.64 117.11 1ibl s THR 16 Ca 0.02 -0.21 -0.18 0.00 -1.21 0.00 0.00 61.69 60.11 1ibl s THR 16 Cb -0.22 -2.81 0.11 0.00 -1.51 0.00 0.00 72.50 68.08 1ibl s THR 16 CO 0.02 0.00 0.87 0.00 -2.21 0.00 0.00 174.62 173.30 1ibl s ALA 17 N -3.67 -2.07 0.42 11.08 0.00 -1.26 -2.35 121.76 123.92 1ibl s ALA 17 Ca 0.73 2.23 0.07 0.00 0.00 0.00 0.00 51.96 54.98 1ibl s ALA 17 Cb -0.03 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1ibl s ALA 17 CO 0.51 -0.34 0.16 -0.98 0.00 0.00 0.00 175.76 175.10 1ibl s ARG 18 N 1.23 2.18 0.19 0.00 1.70 -0.72 -4.91 118.95 118.62 1ibl s ARG 18 Ca -0.07 -1.93 0.08 0.00 -0.47 0.00 0.00 55.73 53.34 1ibl s ARG 18 Cb -0.04 -1.91 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 1ibl s ARG 18 CO -0.14 -0.15 -0.03 -1.64 -1.08 0.00 0.00 175.30 172.26 1ibl s MET 19 N -3.89 2.29 0.30 3.89 -1.94 -1.26 -0.56 119.30 118.12 1ibl s MET 19 Ca 0.38 -1.20 -0.18 0.00 -1.71 0.00 0.00 55.69 52.98 1ibl s MET 19 Cb 0.04 -2.27 0.02 0.00 2.01 0.00 0.00 34.83 34.63 1ibl s MET 19 CO 0.21 0.44 0.68 -0.65 -0.01 0.00 0.00 175.02 175.69 1ibl s GLN 20 N -3.01 1.84 0.93 2.03 -1.52 -0.51 -4.87 119.66 114.55 1ibl s GLN 20 Ca 0.27 -1.15 -0.11 0.00 -1.95 0.00 0.00 55.36 52.42 1ibl s GLN 20 Cb -0.09 0.58 0.15 0.00 -0.22 0.00 0.00 33.01 33.44 1ibl s GLN 20 CO 0.18 -0.83 1.10 0.00 -0.25 0.00 0.00 175.29 175.48 1ibl s ALA 21 N -3.58 1.28 0.00 6.09 0.00 -1.26 -3.10 121.76 121.20 1ibl s ALA 21 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1ibl s ALA 21 Cb -0.05 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1ibl s ALA 21 CO 0.09 -2.65 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1ibl n GLY 22 N -0.37 0.46 0.00 0.00 0.00 -1.26 -4.74 105.19 99.28 1ibl n GLY 22 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ibl n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibl n GLY 23 N 0.00 2.58 3.92 -0.02 0.00 -1.18 -5.16 105.19 105.33 1ibl n GLY 23 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1ibl n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibl s ARG 24 N 0.22 3.31 -0.30 1.61 0.52 -1.26 -1.42 118.95 121.63 1ibl s ARG 24 Ca 0.00 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1ibl s ARG 24 Cb 0.00 -2.84 0.08 0.00 0.52 0.00 0.00 34.95 32.71 1ibl s ARG 24 CO 0.00 0.46 -0.01 1.03 0.02 0.00 0.00 175.30 176.80 1ibl s ARG 25 N -3.61 1.68 0.74 3.54 1.81 0.28 -4.91 118.95 118.48 1ibl s ARG 25 Ca 0.34 -1.52 -0.11 0.00 -1.72 0.00 0.00 55.73 52.72 1ibl s ARG 25 Cb -0.10 -2.93 0.04 0.00 -0.45 0.00 0.00 34.95 31.51 1ibl s ARG 25 CO 0.28 -0.78 1.08 -0.06 -0.68 0.00 0.00 175.30 175.14 1ibl s PHE 26 N 1.09 2.79 0.06 -0.53 2.99 -1.26 -1.76 117.98 121.37 1ibl s PHE 26 Ca 0.02 1.50 -0.26 0.00 0.00 0.00 0.00 56.93 58.18 1ibl s PHE 26 Cb -0.19 -2.98 0.08 0.00 0.00 0.00 0.00 43.02 39.92 1ibl s PHE 26 CO -0.08 -1.57 0.67 0.50 -0.00 0.00 0.00 175.22 174.74 1ibl s ARG 27 N -4.96 1.13 0.00 0.44 3.52 -0.99 -4.88 118.95 113.21 1ibl s ARG 27 Ca 0.60 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 56.08 1ibl s ARG 27 Cb -0.16 0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 33.73 1ibl s ARG 27 CO 0.56 -0.45 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.27 1ibl s PHE 28 N -2.79 2.33 -0.04 5.12 0.40 -0.78 0.16 117.98 122.38 1ibl s PHE 28 Ca -0.02 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1ibl s PHE 28 Cb -0.01 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1ibl s PHE 28 CO -0.05 0.02 -0.17 0.20 0.70 0.00 0.00 175.22 175.92 1ibl s GLY 29 N -0.85 1.47 -0.05 4.36 0.00 0.53 -1.66 107.32 111.12 1ibl s GLY 29 Ca 0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1ibl s GLY 29 CO 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 173.10 172.30 1ibl s ALA 30 N -0.71 0.44 -0.21 3.20 0.00 -0.11 -0.92 121.76 123.46 1ibl s ALA 30 Ca 0.11 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1ibl s ALA 30 Cb -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1ibl s ALA 30 CO 0.00 -0.32 0.26 -0.51 0.00 0.00 0.00 175.76 175.19 1ibl s LEU 31 N 1.66 4.16 -0.05 0.00 1.43 -0.30 -1.63 118.68 123.95 1ibl s LEU 31 Ca -0.01 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1ibl s LEU 31 Cb -0.13 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1ibl s LEU 31 CO -0.03 0.03 -0.15 -0.69 0.23 0.00 0.00 176.35 175.74 1ibl s VAL 32 N 1.00 1.30 -0.05 -1.59 1.01 0.62 0.24 120.40 122.93 1ibl s VAL 32 Ca 0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1ibl s VAL 32 Cb -0.14 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1ibl s VAL 32 CO 0.05 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.89 1ibl s VAL 33 N 0.25 4.55 -0.03 2.92 1.01 0.30 0.51 120.40 129.91 1ibl s VAL 33 Ca -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ibl s VAL 33 Cb -0.13 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1ibl s VAL 33 CO 0.03 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 174.97 1ibl s VAL 34 N -1.03 -0.06 0.14 2.92 1.01 0.33 0.41 120.40 124.12 1ibl s VAL 34 Ca 0.17 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1ibl s VAL 34 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1ibl s VAL 34 CO 0.07 0.15 0.21 -0.83 0.00 0.00 0.00 175.10 174.70 1ibl s GLY 35 N 1.71 0.54 0.00 4.51 0.00 -0.50 0.18 107.32 113.75 1ibl s GLY 35 Ca -0.01 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 43.83 1ibl s GLY 35 CO -0.03 -0.97 0.68 2.09 0.00 0.00 0.00 173.10 174.87 1ibl n ASP 36 N -0.16 1.28 -1.05 1.64 5.68 -0.24 0.24 116.55 123.95 1ibl n ASP 36 Ca -0.08 -1.14 -0.14 0.00 -0.50 0.00 0.00 54.79 52.93 1ibl n ASP 36 Cb 0.63 0.48 -0.06 0.00 -1.14 0.00 0.00 41.12 41.03 1ibl n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ibl n ARG 37 N -0.25 -1.37 -0.94 0.11 1.74 -0.86 -4.77 116.66 110.32 1ibl n ARG 37 Ca 0.05 0.97 0.03 0.00 -0.77 0.00 0.00 57.85 58.13 1ibl n ARG 37 Cb 0.24 -5.24 0.15 0.00 -1.02 0.00 0.00 32.46 26.59 1ibl n ARG 37 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ibl n GLN 38 N -1.77 1.40 -0.67 5.56 -0.06 -1.26 -4.44 117.38 116.13 1ibl n GLN 38 Ca -0.14 -3.09 0.00 0.00 -2.00 0.00 0.00 57.00 51.77 1ibl n GLN 38 Cb 0.55 -1.32 0.00 0.00 -4.06 0.00 0.00 30.24 25.41 1ibl n GLN 38 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ibl n GLY 39 N -0.73 0.59 2.89 1.69 0.00 -1.04 -4.99 105.19 103.60 1ibl n GLY 39 Ca 0.18 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1ibl n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibl s ARG 40 N -1.30 1.43 0.10 1.61 0.52 -1.26 -0.87 118.95 119.19 1ibl s ARG 40 Ca 0.00 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1ibl s ARG 40 Cb 0.00 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 1ibl s ARG 40 CO 0.00 -0.44 -0.17 0.14 0.02 0.00 0.00 175.30 174.85 1ibl s VAL 41 N 1.63 1.45 -0.01 3.52 -7.23 -1.06 -1.08 120.40 117.62 1ibl s VAL 41 Ca 0.00 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1ibl s VAL 41 Cb -0.15 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1ibl s VAL 41 CO -0.08 -0.21 0.02 -0.83 -0.31 0.00 0.00 175.10 173.69 1ibl s GLY 42 N -2.05 -0.01 -0.09 2.32 0.00 0.46 -0.42 107.32 107.54 1ibl s GLY 42 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1ibl s GLY 42 CO 0.04 0.06 -0.08 -2.27 0.00 0.00 0.00 173.10 170.85 1ibl s LEU 43 N 0.04 3.08 -0.04 0.66 0.20 -1.15 -0.51 118.68 120.96 1ibl s LEU 43 Ca -0.00 -0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.70 1ibl s LEU 43 Cb -0.01 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1ibl s LEU 43 CO -0.00 0.31 0.10 -0.83 -0.29 0.00 0.00 176.35 175.63 1ibl s GLY 44 N -0.48 -0.04 -0.22 7.98 0.00 0.18 -3.96 107.32 110.79 1ibl s GLY 44 Ca 0.07 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 1ibl s GLY 44 CO 0.02 0.47 -0.00 -0.12 0.00 0.00 0.00 173.10 173.47 1ibl s PHE 45 N 0.45 1.73 0.13 1.90 5.36 -1.26 0.23 117.98 126.53 1ibl s PHE 45 Ca -0.03 -1.36 0.10 0.00 -0.96 0.00 0.00 56.93 54.68 1ibl s PHE 45 Cb -0.05 -1.35 -0.04 0.00 -0.34 0.00 0.00 43.02 41.24 1ibl s PHE 45 CO -0.02 -0.71 -0.25 0.20 -1.46 0.00 0.00 175.22 172.98 1ibl s GLY 46 N 1.62 1.53 -0.01 13.12 0.00 -0.65 -4.86 107.32 118.07 1ibl s GLY 46 Ca -0.02 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.28 1ibl s GLY 46 CO -0.08 -1.44 -0.12 0.54 0.00 0.00 0.00 173.10 172.00 1ibl s LYS 47 N -2.13 0.93 0.15 2.90 3.01 -1.26 -0.93 119.74 122.42 1ibl s LYS 47 Ca 0.13 -0.42 -0.23 0.00 -1.01 0.00 0.00 55.97 54.44 1ibl s LYS 47 Cb -0.10 -0.90 0.07 0.00 -1.01 0.00 0.00 37.83 35.89 1ibl s LYS 47 CO 0.06 0.25 0.62 0.00 0.51 0.00 0.00 175.35 176.79 1ibl s ALA 48 N -0.29 -1.61 0.25 5.17 0.00 -0.66 -4.82 121.76 119.79 1ibl s ALA 48 Ca 0.04 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1ibl s ALA 48 Cb -0.05 0.86 0.48 0.00 0.00 0.00 0.00 23.12 24.42 1ibl s ALA 48 CO -0.00 -0.77 1.72 -1.00 0.00 0.00 0.00 175.76 175.71 1ibl h PRO 49 N 2.00 0.39 -5.79 0.00 0.13 -1.89 -2.08 132.00 124.75 1ibl h PRO 49 Ca -0.33 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 1ibl h PRO 49 Cb 1.31 -0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1ibl h PRO 49 CO 0.38 0.26 -0.61 -1.21 -0.23 0.00 0.00 178.00 176.58 1ibl s GLU 50 N -6.01 3.21 0.09 0.86 2.02 -1.26 -4.36 118.70 113.25 1ibl s GLU 50 Ca -0.12 -0.39 -0.18 0.00 0.02 0.00 0.00 54.97 54.29 1ibl s GLU 50 Cb 0.21 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 1ibl s GLU 50 CO 0.76 0.61 1.32 0.28 0.02 0.00 0.00 175.26 178.25 1ibl h VAL 51 N 4.34 0.00 -0.52 2.63 2.07 -1.93 -1.85 116.25 120.99 1ibl h VAL 51 Ca -0.47 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1ibl h VAL 51 Cb 1.19 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1ibl h VAL 51 CO 0.57 0.00 -0.44 -0.65 0.02 0.00 0.00 177.57 177.07 1ibl h PRO 52 N -0.05 -0.17 -1.00 1.57 0.11 -1.96 0.79 132.00 131.30 1ibl h PRO 52 Ca 0.08 0.01 0.40 0.00 0.11 0.00 0.00 66.00 66.61 1ibl h PRO 52 Cb 0.26 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 31.23 1ibl h PRO 52 CO -0.51 -0.11 0.52 -0.07 -0.21 0.00 0.00 178.00 177.62 1ibl h LEU 53 N -0.17 0.30 0.03 2.35 3.38 -1.74 0.30 115.31 119.76 1ibl h LEU 53 Ca 0.09 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ibl h LEU 53 Cb 0.40 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ibl h LEU 53 CO -0.58 -0.41 -0.02 0.00 0.09 0.00 0.00 178.44 177.52 1ibl h ALA 54 N 1.99 -0.05 -0.39 1.53 0.00 0.99 0.15 119.26 123.48 1ibl h ALA 54 Ca 0.83 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.53 1ibl h ALA 54 Cb 2.14 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.89 1ibl h ALA 54 CO -0.76 -0.23 -0.01 0.28 0.00 0.00 0.00 179.25 178.52 1ibl h VAL 55 N -0.64 0.69 0.21 0.00 2.07 0.28 0.72 116.25 119.59 1ibl h VAL 55 Ca -0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ibl h VAL 55 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ibl h VAL 55 CO 0.01 0.02 -0.13 1.56 0.02 0.00 0.00 177.57 179.04 1ibl h GLN 56 N 0.09 -0.32 -0.77 1.57 7.50 -0.60 -1.41 115.11 121.17 1ibl h GLN 56 Ca 0.19 0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.46 1ibl h GLN 56 Cb 0.27 0.07 -0.05 0.00 0.05 0.00 0.00 27.48 27.82 1ibl h GLN 56 CO -0.33 -0.22 0.50 -0.22 -1.50 0.00 0.00 178.83 177.07 1ibl h LYS 57 N -0.34 0.65 0.83 1.46 3.64 0.19 -1.23 116.57 121.79 1ibl h LYS 57 Ca -0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1ibl h LYS 57 Cb 0.29 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ibl h LYS 57 CO 0.01 0.43 -0.40 0.00 -2.27 0.00 0.00 179.45 177.23 1ibl h ALA 58 N 1.61 -1.20 -0.76 5.00 0.00 0.11 0.23 119.26 124.25 1ibl h ALA 58 Ca 0.36 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.18 1ibl h ALA 58 Cb 0.48 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 1ibl h ALA 58 CO -0.13 -1.12 -0.11 0.78 0.00 0.00 0.00 179.25 178.67 1ibl h GLY 59 N -1.21 0.67 0.56 0.00 0.00 -0.76 1.37 103.07 103.69 1ibl h GLY 59 Ca -0.11 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1ibl h GLY 59 CO 0.19 -0.30 -0.09 -1.82 0.00 0.00 0.00 176.54 174.52 1ibl h TYR 60 N 0.03 -0.22 -0.85 5.60 3.20 -1.11 0.12 116.97 123.74 1ibl h TYR 60 Ca 0.39 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 1ibl h TYR 60 Cb 0.64 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 1ibl h TYR 60 CO -0.53 -0.14 0.49 1.88 -1.64 0.00 0.00 178.16 178.22 1ibl h TYR 61 N -0.09 1.14 0.05 -3.82 0.05 0.23 -2.66 116.97 111.87 1ibl h TYR 61 Ca 0.09 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 1ibl h TYR 61 Cb 0.22 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.59 1ibl h TYR 61 CO -0.23 0.77 -0.02 0.00 -1.05 0.00 0.00 178.16 177.62 1ibl h ALA 62 N 1.36 -0.07 0.00 3.88 0.00 0.25 -2.13 119.26 122.55 1ibl h ALA 62 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ibl h ALA 62 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ibl h ALA 62 CO -0.05 -0.50 0.09 0.00 0.00 0.00 0.00 179.25 178.79 1ibl h ARG 63 N -0.15 0.00 -0.01 0.00 3.08 -0.47 0.43 114.38 117.27 1ibl h ARG 63 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ibl h ARG 63 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ibl h ARG 63 CO 0.01 0.00 -0.17 0.54 -1.07 0.00 0.00 179.97 179.28 1ibl n ARG 64 N -2.88 0.78 -3.72 0.04 5.12 -0.81 -4.56 116.66 110.63 1ibl n ARG 64 Ca -0.02 -0.37 -0.30 0.00 -1.93 0.00 0.00 57.85 55.23 1ibl n ARG 64 Cb 0.15 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 29.82 1ibl n ARG 64 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1ibl s ASN 65 N -2.47 3.80 0.20 0.55 2.47 0.15 -5.10 114.94 114.54 1ibl s ASN 65 Ca 0.27 -2.25 0.07 0.00 0.42 0.00 0.00 52.86 51.37 1ibl s ASN 65 Cb 0.20 -0.97 -0.04 0.00 -1.45 0.00 0.00 41.25 38.98 1ibl s ASN 65 CO 0.49 -0.32 0.06 -0.04 -3.72 0.00 0.00 177.10 173.56 1ibl s MET 66 N 0.84 2.57 -0.02 0.43 -1.94 -1.26 -2.91 119.30 117.01 1ibl s MET 66 Ca 0.15 -1.10 0.01 0.00 -1.71 0.00 0.00 55.69 53.04 1ibl s MET 66 Cb -0.22 -2.42 0.01 0.00 2.01 0.00 0.00 34.83 34.21 1ibl s MET 66 CO -0.08 0.44 -0.05 0.08 -0.01 0.00 0.00 175.02 175.40 1ibl s VAL 67 N -1.89 0.46 -0.73 -6.03 1.01 0.44 -4.98 120.40 108.68 1ibl s VAL 67 Ca 0.30 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1ibl s VAL 67 Cb -0.09 -0.44 0.13 0.00 0.00 0.00 0.00 36.38 35.98 1ibl s VAL 67 CO 0.21 0.17 0.85 -0.70 0.00 0.00 0.00 175.10 175.62 1ibl s GLU 68 N 0.35 3.31 -0.23 2.72 2.56 -1.26 -2.58 118.70 123.56 1ibl s GLU 68 Ca -0.04 -1.63 -0.26 0.00 0.00 0.00 0.00 54.97 53.04 1ibl s GLU 68 Cb -0.08 -4.47 -0.00 0.00 2.00 0.00 0.00 34.13 31.58 1ibl s GLU 68 CO -0.00 -1.57 0.90 0.08 -0.56 0.00 0.00 175.26 174.10 1ibl s VAL 69 N 2.29 4.79 -1.12 3.70 1.01 -0.05 -4.96 120.40 126.05 1ibl s VAL 69 Ca 0.19 1.73 -0.23 0.00 0.00 0.00 0.00 61.98 63.67 1ibl s VAL 69 Cb -0.16 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1ibl s VAL 69 CO -0.01 -0.10 1.95 -2.84 0.00 0.00 0.00 175.10 174.10 1ibl s PRO 70 N 2.92 2.44 0.59 2.72 0.02 -1.26 -4.67 135.00 137.75 1ibl s PRO 70 Ca 0.38 -0.96 -0.17 0.00 0.02 0.00 0.00 61.00 60.27 1ibl s PRO 70 Cb -0.15 -5.19 -0.04 0.00 0.02 0.00 0.00 34.50 29.14 1ibl s PRO 70 CO 0.07 -3.94 1.10 -0.51 -0.33 0.00 0.00 177.00 173.39 1ibl s LEU 71 N 11.15 3.58 -0.29 -5.54 1.43 -1.26 -4.09 118.68 123.67 1ibl s LEU 71 Ca 0.69 2.03 0.01 0.00 -1.03 0.00 0.00 54.13 55.83 1ibl s LEU 71 Cb -0.02 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.78 1ibl s LEU 71 CO 0.11 -1.32 0.35 -1.10 0.23 0.00 0.00 176.35 174.62 1ibl s GLN 72 N -3.71 0.36 0.00 1.70 -0.21 -0.36 -4.84 119.66 112.60 1ibl s GLN 72 Ca 0.69 0.02 0.00 0.00 0.02 0.00 0.00 55.36 56.09 1ibl s GLN 72 Cb -0.21 -0.50 0.00 0.00 1.00 0.00 0.00 33.01 33.31 1ibl s GLN 72 CO 0.33 -1.01 0.00 -1.71 -2.12 0.00 0.00 175.29 170.79 1ibl n ASN 73 N 5.33 0.00 0.00 5.90 4.05 -1.26 -1.01 115.26 128.27 1ibl n ASN 73 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1ibl n ASN 73 Cb 0.48 -0.97 0.00 0.00 1.23 0.00 0.00 39.78 40.52 1ibl n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ibl n GLY 74 N -1.93 0.90 0.23 8.20 0.00 -1.26 -4.93 105.19 106.40 1ibl n GLY 74 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ibl n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ibl n THR 75 N 0.00 0.00 -3.99 2.61 5.66 -0.18 0.54 114.28 118.93 1ibl n THR 75 Ca 0.00 -0.13 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1ibl n THR 75 Cb 0.00 -0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 68.23 1ibl n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1ibl s ILE 76 N -0.11 4.94 -1.80 1.09 1.10 -1.26 -1.22 121.20 123.93 1ibl s ILE 76 Ca 0.02 -0.62 0.05 0.00 -0.51 0.00 0.00 60.65 59.59 1ibl s ILE 76 Cb -0.00 -3.41 0.13 0.00 0.15 0.00 0.00 42.46 39.33 1ibl s ILE 76 CO 0.01 0.11 0.87 -0.81 -2.11 0.00 0.00 174.94 173.01 1ibl n PRO 77 N 0.28 0.14 -3.89 3.50 -0.04 -1.26 -4.66 135.00 129.07 1ibl n PRO 77 Ca -0.07 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ibl n PRO 77 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ibl n PRO 77 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ibl n HIS 78 N -1.10 0.00 -3.79 0.54 1.44 -1.26 -5.00 115.22 106.05 1ibl n HIS 78 Ca 0.04 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.43 1ibl n HIS 78 Cb 0.03 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.09 1ibl n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1ibl s GLU 79 N -1.79 3.53 0.02 -1.40 8.01 -1.26 -4.16 118.70 121.66 1ibl s GLU 79 Ca 0.00 -0.24 -0.07 0.00 0.01 0.00 0.00 54.97 54.67 1ibl s GLU 79 Cb 0.00 -2.96 -0.00 0.00 -4.31 0.00 0.00 34.13 26.86 1ibl s GLU 79 CO 0.00 0.55 0.14 0.96 0.01 0.00 0.00 175.26 176.91 1ibl s ILE 80 N -1.56 0.10 -0.21 -1.63 -5.25 -0.91 -5.02 121.20 106.72 1ibl s ILE 80 Ca 0.37 -0.86 -0.03 0.00 -0.99 0.00 0.00 60.65 59.14 1ibl s ILE 80 Cb -0.13 -0.68 0.07 0.00 2.95 0.00 0.00 42.46 44.67 1ibl s ILE 80 CO 0.25 -0.48 0.06 -1.61 -1.79 0.00 0.00 174.94 171.37 1ibl s GLU 81 N -2.03 0.56 -0.10 0.37 2.02 -1.26 -1.33 118.70 116.93 1ibl s GLU 81 Ca -0.10 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1ibl s GLU 81 Cb -0.04 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1ibl s GLU 81 CO -0.02 -0.72 -0.12 0.08 0.02 0.00 0.00 175.26 174.51 1ibl s VAL 82 N 1.88 3.24 -0.20 2.63 1.01 -0.54 -4.98 120.40 123.44 1ibl s VAL 82 Ca 0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1ibl s VAL 82 Cb -0.17 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1ibl s VAL 82 CO -0.13 0.55 -0.01 -1.61 0.00 0.00 0.00 175.10 173.91 1ibl s GLU 83 N -0.16 3.59 -0.32 2.72 2.02 -1.26 -0.89 118.70 124.41 1ibl s GLU 83 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.50 1ibl s GLU 83 Cb -0.13 -3.07 0.09 0.00 0.10 0.00 0.00 34.13 31.12 1ibl s GLU 83 CO 0.03 -0.00 0.01 0.12 0.02 0.00 0.00 175.26 175.43 1ibl s PHE 84 N 1.03 3.60 0.00 1.61 5.36 0.46 -4.98 117.98 125.07 1ibl s PHE 84 Ca 0.02 -2.80 0.00 0.00 -0.96 0.00 0.00 56.93 53.19 1ibl s PHE 84 Cb -0.14 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1ibl s PHE 84 CO 0.01 -0.93 0.00 0.41 -1.46 0.00 0.00 175.22 173.26 1ibl n GLY 85 N 4.31 2.82 0.09 13.12 0.00 -1.26 -0.73 105.19 123.54 1ibl n GLY 85 Ca -0.01 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1ibl n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl n ALA 86 N 10.76 4.53 -2.46 4.61 0.00 -1.26 -4.91 120.51 131.79 1ibl n ALA 86 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 53.44 52.45 1ibl n ALA 86 Cb 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1ibl n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ibl s SER 87 N -2.91 6.89 -0.03 0.00 0.01 0.09 -0.07 113.70 117.69 1ibl s SER 87 Ca 0.10 1.06 0.01 0.00 1.31 0.00 0.00 55.95 58.44 1ibl s SER 87 Cb 0.16 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 64.10 1ibl s SER 87 CO 0.81 0.23 -0.05 -0.75 0.41 0.00 0.00 173.24 173.89 1ibl s LYS 88 N -0.72 0.80 -0.02 12.44 2.20 -0.62 0.17 119.74 133.98 1ibl s LYS 88 Ca 0.27 -0.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.80 1ibl s LYS 88 Cb -0.18 -0.79 -0.02 0.00 -1.51 0.00 0.00 37.83 35.34 1ibl s LYS 88 CO 0.15 -0.02 -0.25 -1.50 -0.36 0.00 0.00 175.35 173.37 1ibl s ILE 89 N 0.64 1.98 -0.15 5.43 -1.16 -0.06 0.08 121.20 127.95 1ibl s ILE 89 Ca -0.09 -1.07 0.02 0.00 -0.51 0.00 0.00 60.65 59.00 1ibl s ILE 89 Cb -0.12 -1.65 0.01 0.00 0.61 0.00 0.00 42.46 41.31 1ibl s ILE 89 CO 0.00 0.56 -0.21 -0.69 -2.81 0.00 0.00 174.94 171.79 1ibl s VAL 90 N -0.54 2.06 -0.06 4.00 1.01 -0.47 -1.46 120.40 124.93 1ibl s VAL 90 Ca 0.08 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1ibl s VAL 90 Cb -0.10 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1ibl s VAL 90 CO -0.00 0.55 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 1ibl s LEU 91 N 0.95 2.31 -0.04 3.92 1.43 -0.44 -1.61 118.68 125.20 1ibl s LEU 91 Ca -0.04 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1ibl s LEU 91 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1ibl s LEU 91 CO -0.05 0.26 -0.05 -0.75 0.23 0.00 0.00 176.35 175.99 1ibl s LYS 92 N -0.25 0.82 0.58 1.70 2.20 0.20 -2.14 119.74 122.85 1ibl s LYS 92 Ca -0.00 -0.15 -0.18 0.00 -0.36 0.00 0.00 55.97 55.27 1ibl s LYS 92 Cb -0.13 -0.81 -0.04 0.00 -1.51 0.00 0.00 37.83 35.34 1ibl s LYS 92 CO 0.03 -0.02 1.13 -1.25 -0.36 0.00 0.00 175.35 174.88 1ibl s PRO 93 N 0.66 3.18 0.27 4.03 0.04 -1.26 0.58 135.00 142.50 1ibl s PRO 93 Ca -0.09 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1ibl s PRO 93 Cb -0.12 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1ibl s PRO 93 CO 0.00 -0.98 0.08 0.00 0.04 0.00 0.00 177.00 176.14 1ibl s ALA 94 N -1.87 1.84 0.55 8.56 0.00 -1.25 -4.66 121.76 124.93 1ibl s ALA 94 Ca 0.72 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1ibl s ALA 94 Cb -0.24 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1ibl s ALA 94 CO 0.31 -0.41 0.84 0.00 0.00 0.00 0.00 175.76 176.50 1ibl s ALA 95 N -3.65 3.41 1.18 0.00 0.00 -1.26 -4.74 121.76 116.71 1ibl s ALA 95 Ca 0.37 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1ibl s ALA 95 Cb 0.08 -2.50 0.29 0.00 0.00 0.00 0.00 23.12 20.99 1ibl s ALA 95 CO 0.13 -0.68 1.02 -2.14 0.00 0.00 0.00 175.76 174.10 1ibl s PRO 96 N -4.88 -1.08 0.00 0.00 0.02 -1.26 -3.00 135.00 124.80 1ibl s PRO 96 Ca 0.52 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.21 1ibl s PRO 96 Cb -0.10 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 32.87 1ibl s PRO 96 CO 0.44 -3.78 0.00 0.41 -0.33 0.00 0.00 177.00 173.73 1ibl n GLY 97 N 0.58 0.99 0.06 0.52 0.00 -1.26 -4.82 105.19 101.26 1ibl n GLY 97 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1ibl n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ibl h THR 98 N 0.00 0.00 0.00 2.61 2.02 -1.85 -3.51 112.91 112.17 1ibl h THR 98 Ca 0.00 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1ibl h THR 98 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1ibl h THR 98 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1ibl n GLY 99 N 1.73 -2.26 3.37 2.16 0.00 -1.18 -4.85 105.19 104.16 1ibl n GLY 99 Ca -0.03 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.42 1ibl n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 100 N -0.42 5.14 -0.61 1.61 1.01 -1.15 -1.44 120.40 124.53 1ibl s VAL 100 Ca 0.00 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 1ibl s VAL 100 Cb 0.00 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.23 1ibl s VAL 100 CO 0.00 -0.74 0.78 -0.63 0.00 0.00 0.00 175.10 174.51 1ibl s ILE 101 N 1.87 4.68 0.20 2.22 1.01 -0.79 -4.98 121.20 125.40 1ibl s ILE 101 Ca 0.06 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 1ibl s ILE 101 Cb -0.25 -4.55 0.05 0.00 0.01 0.00 0.00 42.46 37.72 1ibl s ILE 101 CO 0.06 -1.22 0.85 0.00 0.00 0.00 0.00 174.94 174.63 1ibl s ALA 102 N 3.07 -1.49 0.58 9.38 0.00 -1.26 -1.73 121.76 130.31 1ibl s ALA 102 Ca 0.15 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1ibl s ALA 102 Cb -0.22 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1ibl s ALA 102 CO 0.07 -1.02 1.06 0.20 0.00 0.00 0.00 175.76 176.07 1ibl s GLY 103 N -2.91 2.16 0.40 0.00 0.00 -1.26 -4.75 107.32 100.96 1ibl s GLY 103 Ca 0.11 0.41 0.23 0.00 0.00 0.00 0.00 44.72 45.47 1ibl s GLY 103 CO 0.03 0.73 1.68 0.00 0.00 0.00 0.00 173.10 175.54 1ibl h ALA 104 N 0.54 2.38 0.36 3.20 0.00 -2.01 0.50 119.26 124.23 1ibl h ALA 104 Ca -0.47 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1ibl h ALA 104 Cb 1.22 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ibl h ALA 104 CO 0.58 -0.95 -0.17 0.28 0.00 0.00 0.00 179.25 178.98 1ibl h VAL 105 N 0.23 0.00 -0.94 0.00 2.07 -1.93 -2.60 116.25 113.08 1ibl h VAL 105 Ca 0.73 -0.42 0.19 0.00 0.82 0.00 0.00 66.70 68.03 1ibl h VAL 105 Cb 2.03 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.69 1ibl h VAL 105 CO -0.44 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.03 1ibl h PRO 106 N -0.90 0.61 0.00 1.57 0.11 -1.79 -2.84 132.00 128.75 1ibl h PRO 106 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1ibl h PRO 106 Cb 0.37 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1ibl h PRO 106 CO 0.08 0.40 0.00 -2.13 -0.21 0.00 0.00 178.00 176.14 1ibl n ARG 107 N -4.87 0.00 -0.18 1.05 0.63 0.12 -0.11 116.66 113.30 1ibl n ARG 107 Ca 0.22 0.20 0.15 0.00 -0.92 0.00 0.00 57.85 57.50 1ibl n ARG 107 Cb 0.58 -0.97 0.25 0.00 0.45 0.00 0.00 32.46 32.78 1ibl n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibl n ALA 108 N -0.87 0.51 -0.01 5.13 0.00 -0.98 0.27 120.51 124.56 1ibl n ALA 108 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ibl n ALA 108 Cb 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ibl n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibl h ILE 109 N 0.00 0.00 -0.93 0.00 2.04 -1.26 -3.00 117.51 114.35 1ibl h ILE 109 Ca 0.32 -0.19 0.20 0.00 1.00 0.00 0.00 64.86 66.19 1ibl h ILE 109 Cb 1.05 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.95 1ibl h ILE 109 CO -0.17 0.00 -0.20 0.18 0.00 0.00 0.00 178.15 177.97 1ibl n LEU 110 N -2.54 -0.31 0.33 1.44 4.77 0.14 0.85 117.00 121.68 1ibl n LEU 110 Ca -0.00 1.60 -0.15 0.00 -0.03 0.00 0.00 56.01 57.44 1ibl n LEU 110 Cb 0.00 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 1ibl n LEU 110 CO 0.00 -1.55 0.53 -0.33 -1.33 0.00 0.00 177.39 174.71 1ibl h GLU 111 N 0.00 -0.88 0.00 3.23 5.08 -0.68 -0.48 114.58 120.86 1ibl h GLU 111 Ca 0.46 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1ibl h GLU 111 Cb 0.75 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ibl h GLU 111 CO -0.95 -0.58 0.00 1.28 -1.00 0.00 0.00 179.01 177.75 1ibl n LEU 112 N -4.70 0.00 0.01 1.33 4.77 -0.40 0.62 117.00 118.63 1ibl n LEU 112 Ca -0.11 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1ibl n LEU 112 Cb 0.38 -0.43 0.56 0.00 -2.33 0.00 0.00 43.42 41.60 1ibl n LEU 112 CO 0.26 -0.35 0.90 0.00 -1.33 0.00 0.00 177.39 176.87 1ibl n ALA 113 N -1.43 2.45 -1.93 -1.18 0.00 0.25 -2.02 120.51 116.66 1ibl n ALA 113 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ibl n ALA 113 Cb 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1ibl n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibl n GLY 114 N 1.48 0.89 3.26 0.00 0.00 0.20 -2.49 105.19 108.54 1ibl n GLY 114 Ca 0.07 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1ibl n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 115 N -2.76 2.64 -0.13 1.61 1.01 -0.63 -4.71 120.40 117.43 1ibl s VAL 115 Ca 0.00 -0.78 0.14 0.00 0.00 0.00 0.00 61.98 61.34 1ibl s VAL 115 Cb 0.00 -2.11 -0.20 0.00 0.00 0.00 0.00 36.38 34.07 1ibl s VAL 115 CO 0.00 0.52 0.10 1.07 0.00 0.00 0.00 175.10 176.79 1ibl n THR 116 N 4.08 0.89 -3.77 3.92 5.66 0.19 -4.34 114.28 120.91 1ibl n THR 116 Ca -0.19 -0.61 -0.25 0.00 -3.05 0.00 0.00 64.05 59.95 1ibl n THR 116 Cb 0.52 -0.47 -0.17 0.00 -1.55 0.00 0.00 70.33 68.65 1ibl n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ibl s ASP 117 N -4.75 1.99 -0.13 1.09 1.01 -0.92 -2.93 116.67 112.03 1ibl s ASP 117 Ca -0.07 -0.30 -0.29 0.00 0.71 0.00 0.00 52.55 52.59 1ibl s ASP 117 Cb 0.06 -0.52 0.09 0.00 1.01 0.00 0.00 42.92 43.56 1ibl s ASP 117 CO 0.64 -0.22 0.79 -0.51 0.21 0.00 0.00 175.17 176.09 1ibl s ILE 118 N 1.92 0.00 -0.21 0.77 2.07 -0.52 -3.84 121.20 121.39 1ibl s ILE 118 Ca 0.03 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.21 1ibl s ILE 118 Cb -0.14 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.42 1ibl s ILE 118 CO -0.06 0.00 0.04 -0.76 -1.91 0.00 0.00 174.94 172.25 1ibl s LEU 119 N -0.84 3.47 0.20 8.50 1.43 0.20 -1.89 118.68 129.75 1ibl s LEU 119 Ca -0.06 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1ibl s LEU 119 Cb -0.01 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1ibl s LEU 119 CO 0.05 0.06 -0.16 -0.89 0.23 0.00 0.00 176.35 175.64 1ibl s THR 120 N 1.06 1.85 -0.30 5.49 2.01 -0.71 0.62 115.64 125.66 1ibl s THR 120 Ca 0.03 -2.16 -0.12 0.00 0.31 0.00 0.00 61.69 59.75 1ibl s THR 120 Cb -0.14 -2.02 0.14 0.00 0.01 0.00 0.00 72.50 70.49 1ibl s THR 120 CO 0.03 -0.50 0.79 -0.75 -0.69 0.00 0.00 174.62 173.50 1ibl s LYS 121 N -3.40 0.46 -0.22 4.92 2.47 -0.64 -4.78 119.74 118.56 1ibl s LYS 121 Ca 0.22 1.14 -0.21 0.00 -1.56 0.00 0.00 55.97 55.56 1ibl s LYS 121 Cb -0.03 0.67 -0.02 0.00 -1.46 0.00 0.00 37.83 36.99 1ibl s LYS 121 CO 0.08 -0.16 0.65 -1.21 0.16 0.00 0.00 175.35 174.87 1ibl s GLU 122 N 2.65 4.17 0.41 4.03 2.02 -1.26 -1.36 118.70 129.37 1ibl s GLU 122 Ca -0.05 0.63 0.07 0.00 0.02 0.00 0.00 54.97 55.65 1ibl s GLU 122 Cb -0.09 -3.61 -0.07 0.00 0.10 0.00 0.00 34.13 30.46 1ibl s GLU 122 CO -0.18 -0.33 0.06 -0.51 0.02 0.00 0.00 175.26 174.31 1ibl s LEU 123 N 2.22 2.93 0.00 1.80 1.43 0.11 -5.01 118.68 122.16 1ibl s LEU 123 Ca 0.29 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1ibl s LEU 123 Cb -0.16 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1ibl s LEU 123 CO 0.09 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.80 1ibl n GLY 124 N -1.05 1.70 3.70 -3.19 0.00 -1.26 -1.59 105.19 103.49 1ibl n GLY 124 Ca -0.04 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1ibl n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibl s SER 125 N -4.00 6.87 -0.01 1.61 0.15 0.90 -4.89 113.70 114.33 1ibl s SER 125 Ca 0.00 2.14 0.08 0.00 0.70 0.00 0.00 55.95 58.87 1ibl s SER 125 Cb 0.00 -2.57 0.23 0.00 -1.71 0.00 0.00 66.02 61.98 1ibl s SER 125 CO 0.00 -0.68 1.16 0.54 1.20 0.00 0.00 173.24 175.45 1ibl n ARG 126 N 4.99 1.69 -1.56 5.44 5.12 -1.26 -4.04 116.66 127.04 1ibl n ARG 126 Ca 0.12 -0.95 -0.56 0.00 -1.93 0.00 0.00 57.85 54.54 1ibl n ARG 126 Cb 0.44 -1.27 -0.08 0.00 -1.16 0.00 0.00 32.46 30.39 1ibl n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ibl n ASN 127 N 0.25 2.06 -0.20 0.55 2.85 -1.26 -4.81 115.26 114.70 1ibl n ASN 127 Ca 0.09 0.81 -0.00 0.00 -0.11 0.00 0.00 54.58 55.36 1ibl n ASN 127 Cb 0.26 -1.14 0.08 0.00 1.24 0.00 0.00 39.78 40.22 1ibl n ASN 127 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ibl h PRO 128 N 9.12 0.06 -0.08 1.20 0.13 -1.98 0.45 132.00 140.90 1ibl h PRO 128 Ca -0.35 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1ibl h PRO 128 Cb 1.33 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1ibl h PRO 128 CO 1.00 0.04 -0.26 0.82 -0.23 0.00 0.00 178.00 179.38 1ibl h ILE 129 N 0.06 0.40 0.00 -3.56 2.04 -2.00 0.67 117.51 115.13 1ibl h ILE 129 Ca 0.30 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.16 1ibl h ILE 129 Cb 0.48 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1ibl h ILE 129 CO -0.55 0.00 0.00 0.78 0.00 0.00 0.00 178.15 178.38 1ibl h ASN 130 N -0.35 0.00 0.00 1.72 2.35 -1.80 -1.18 115.58 116.33 1ibl h ASN 130 Ca 0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1ibl h ASN 130 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1ibl h ASN 130 CO -0.28 0.00 -0.11 0.40 -1.65 0.00 0.00 177.43 175.79 1ibl h ILE 131 N 0.00 1.62 -0.33 2.81 1.08 0.00 -1.74 117.51 120.95 1ibl h ILE 131 Ca 0.00 -1.98 0.06 0.00 -0.39 0.00 0.00 64.86 62.56 1ibl h ILE 131 Cb 0.56 2.93 -0.06 0.00 -3.07 0.00 0.00 36.82 37.18 1ibl h ILE 131 CO 0.00 0.52 -0.02 0.00 -0.69 0.00 0.00 178.15 177.97 1ibl h ALA 132 N 0.19 0.29 -0.12 1.87 0.00 -0.72 0.32 119.26 121.09 1ibl h ALA 132 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ibl h ALA 132 Cb 0.92 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ibl h ALA 132 CO 0.02 -0.41 -0.04 1.88 0.00 0.00 0.00 179.25 180.69 1ibl h TYR 133 N 0.08 0.17 -0.05 0.00 -1.99 -1.27 -1.50 116.97 112.40 1ibl h TYR 133 Ca 0.16 -0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.71 1ibl h TYR 133 Cb 0.23 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1ibl h TYR 133 CO -0.25 0.23 -0.73 0.00 -0.00 0.00 0.00 178.16 177.40 1ibl h ALA 134 N 1.79 0.65 -0.20 3.88 0.00 0.07 -2.83 119.26 122.62 1ibl h ALA 134 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1ibl h ALA 134 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ibl h ALA 134 CO 0.01 0.79 0.09 1.15 0.00 0.00 0.00 179.25 181.28 1ibl h THR 135 N 0.21 1.15 -0.24 0.00 2.02 0.55 -0.28 112.91 116.31 1ibl h THR 135 Ca -0.03 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1ibl h THR 135 Cb 1.30 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 1ibl h THR 135 CO 0.12 0.14 0.00 0.24 0.37 0.00 0.00 175.52 176.39 1ibl h MET 136 N 0.18 0.07 -0.54 6.66 2.07 -1.44 0.12 114.93 122.05 1ibl h MET 136 Ca 0.07 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.73 1ibl h MET 136 Cb 0.15 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.83 1ibl h MET 136 CO -0.01 0.05 0.36 0.93 1.07 0.00 0.00 176.91 179.31 1ibl h GLU 137 N 0.07 0.59 0.31 1.72 4.39 -1.28 0.56 114.58 120.94 1ibl h GLU 137 Ca 0.11 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1ibl h GLU 137 Cb 0.14 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1ibl h GLU 137 CO -0.19 0.39 -0.15 0.00 -1.16 0.00 0.00 179.01 177.90 1ibl h ALA 138 N 1.69 -0.42 0.65 3.43 0.00 0.73 -1.53 119.26 123.82 1ibl h ALA 138 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ibl h ALA 138 Cb 0.11 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ibl h ALA 138 CO -0.06 -0.65 -0.44 -0.07 0.00 0.00 0.00 179.25 178.04 1ibl h LEU 139 N -0.59 -1.13 -1.90 0.00 3.38 -0.03 -2.30 115.31 112.75 1ibl h LEU 139 Ca -0.04 0.07 0.47 0.00 0.09 0.00 0.00 57.88 58.47 1ibl h LEU 139 Cb 0.43 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 1ibl h LEU 139 CO 0.07 -0.65 1.23 -0.09 0.09 0.00 0.00 178.44 179.09 1ibl h ARG 140 N -1.03 0.00 -0.01 1.13 2.43 0.12 0.61 114.38 117.63 1ibl h ARG 140 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ibl h ARG 140 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1ibl h ARG 140 CO 0.06 0.00 -0.10 1.04 -1.51 0.00 0.00 179.97 179.47 1ibl n GLN 141 N -3.92 0.93 -2.13 0.20 6.02 -0.58 -4.91 117.38 112.99 1ibl n GLN 141 Ca 0.36 -0.37 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 1ibl n GLN 141 Cb 1.73 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 31.49 1ibl n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ibl s LEU 142 N -2.33 4.27 0.29 1.08 1.43 0.21 -5.03 118.68 118.60 1ibl s LEU 142 Ca 0.32 2.59 0.06 0.00 -1.03 0.00 0.00 54.13 56.07 1ibl s LEU 142 Cb 0.20 -3.85 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 1ibl s LEU 142 CO 0.44 -0.71 -0.03 -0.13 0.23 0.00 0.00 176.35 176.15 1ibl s ARG 143 N -2.11 1.57 0.22 1.70 1.81 -1.26 -4.99 118.95 115.89 1ibl s ARG 143 Ca 0.54 -1.81 0.08 0.00 -1.72 0.00 0.00 55.73 52.82 1ibl s ARG 143 Cb -0.37 -1.08 -0.05 0.00 -0.45 0.00 0.00 34.95 33.00 1ibl s ARG 143 CO 0.47 -0.02 -0.14 0.99 -0.68 0.00 0.00 175.30 175.93 1ibl s THR 144 N -3.08 1.79 0.17 0.02 2.01 -1.26 -4.84 115.64 110.45 1ibl s THR 144 Ca 0.31 -2.22 -0.22 0.00 0.31 0.00 0.00 61.69 59.87 1ibl s THR 144 Cb 0.05 -2.12 0.08 0.00 0.01 0.00 0.00 72.50 70.52 1ibl s THR 144 CO 0.12 -0.54 1.60 0.50 -0.69 0.00 0.00 174.62 175.62 1ibl h LYS 145 N 2.50 -0.20 0.00 4.92 3.64 -1.99 0.39 116.57 125.83 1ibl h LYS 145 Ca -0.38 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1ibl h LYS 145 Cb 1.23 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 1ibl h LYS 145 CO 0.62 -0.13 -0.47 0.00 -2.27 0.00 0.00 179.45 177.20 1ibl h ALA 146 N 0.90 -0.79 -0.55 5.00 0.00 -1.98 0.11 119.26 121.94 1ibl h ALA 146 Ca 0.19 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ibl h ALA 146 Cb 0.52 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1ibl h ALA 146 CO -0.55 -1.02 -0.52 -0.44 0.00 0.00 0.00 179.25 176.71 1ibl h ASP 147 N -0.62 -1.80 -0.74 0.00 3.32 -1.32 0.30 116.42 115.56 1ibl h ASP 147 Ca 0.03 0.26 0.13 0.00 0.02 0.00 0.00 57.03 57.47 1ibl h ASP 147 Cb 0.69 0.77 -0.09 0.00 0.22 0.00 0.00 39.33 40.92 1ibl h ASP 147 CO -0.34 -0.36 0.33 0.58 -1.72 0.00 0.00 179.24 177.74 1ibl h VAL 148 N -0.29 0.73 -0.66 -1.35 2.07 0.18 0.14 116.25 117.07 1ibl h VAL 148 Ca 0.12 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1ibl h VAL 148 Cb 0.56 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1ibl h VAL 148 CO -0.68 0.09 0.35 -0.33 0.02 0.00 0.00 177.57 177.03 1ibl h GLU 149 N 0.51 0.63 0.06 1.57 5.08 0.19 0.23 114.58 122.85 1ibl h GLU 149 Ca 0.40 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1ibl h GLU 149 Cb 0.54 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ibl h GLU 149 CO -0.35 0.42 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.85 1ibl h ARG 150 N 0.65 -0.25 -0.35 2.33 1.12 0.21 -1.61 114.38 116.48 1ibl h ARG 150 Ca 0.30 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 59.13 1ibl h ARG 150 Cb 0.22 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 1ibl h ARG 150 CO -0.20 -0.17 -0.04 -0.07 -3.11 0.00 0.00 179.97 176.38 1ibl h LEU 151 N -0.26 0.53 -1.81 3.80 3.38 -0.18 -3.05 115.31 117.71 1ibl h LEU 151 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ibl h LEU 151 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ibl h LEU 151 CO -0.09 0.63 0.00 0.54 0.09 0.00 0.00 178.44 179.61 1ibl n ARG 152 N -4.24 2.17 0.12 1.13 1.74 0.71 -4.51 116.66 113.78 1ibl n ARG 152 Ca 0.01 -1.79 -0.06 0.00 -0.77 0.00 0.00 57.85 55.25 1ibl n ARG 152 Cb 0.28 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1ibl n ARG 152 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ibl h LYS 153 N 3.29 -0.37 0.00 5.56 1.57 -1.18 -3.50 116.57 121.95 1ibl h LYS 153 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ibl h LYS 153 Cb 0.73 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ibl h LYS 153 CO 0.00 -0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.05