#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5f n VAL 8 N 0.00 -0.28 -1.24 5.15 0.31 -1.23 -4.88 118.33 116.16 3i5f n VAL 8 Ca 0.00 0.62 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 3i5f n VAL 8 Cb 0.00 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 3i5f n VAL 8 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i5f n LYS 9 N -4.29 -0.63 0.00 5.55 4.76 -1.26 -4.66 118.16 117.62 3i5f n LYS 9 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3i5f n LYS 9 Cb 0.68 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.87 3i5f n LYS 9 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i5f n LEU 10 N -0.46 0.00 -0.79 -0.35 4.77 -1.26 -5.15 117.00 113.75 3i5f n LEU 10 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i5f n LEU 10 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i5f n LEU 10 CO 0.00 0.00 -0.08 -1.54 -1.33 0.00 0.00 177.39 174.44 3i5f n SER 11 N 0.00 -3.11 0.00 -1.43 3.41 -1.26 -4.62 113.62 106.61 3i5f n SER 11 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3i5f n SER 11 Cb 0.00 -1.65 0.00 0.00 -0.26 0.00 0.00 64.21 62.30 3i5f n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i5f n GLN 12 N 0.30 0.00 0.02 4.33 10.64 -1.26 -0.41 117.38 131.00 3i5f n GLN 12 Ca 0.00 0.16 -0.12 0.00 -1.83 0.00 0.00 57.00 55.21 3i5f n GLN 12 Cb 0.00 -0.87 -0.06 0.00 -0.86 0.00 0.00 30.24 28.45 3i5f n GLN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3i5f h ARG 13 N 0.00 -0.49 -0.96 2.61 3.08 -1.99 -1.26 114.38 115.37 3i5f h ARG 13 Ca 0.00 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.26 3i5f h ARG 13 Cb 0.00 0.11 -0.17 0.00 0.08 0.00 0.00 29.97 29.99 3i5f h ARG 13 CO 0.00 -0.33 -0.30 1.96 -1.07 0.00 0.00 179.97 180.23 3i5f h GLN 14 N -0.51 -0.01 0.54 0.04 4.20 -1.93 0.26 115.11 117.70 3i5f h GLN 14 Ca 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3i5f h GLN 14 Cb 0.62 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.41 3i5f h GLN 14 CO -0.36 -0.00 -0.26 0.52 -0.67 0.00 0.00 178.83 178.06 3i5f h MET 15 N -0.01 -0.69 -0.91 1.46 2.86 0.27 -2.30 114.93 115.61 3i5f h MET 15 Ca 0.41 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 58.33 3i5f h MET 15 Cb 0.66 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 3i5f h MET 15 CO -0.98 -0.43 0.62 1.96 1.06 0.00 0.00 176.91 179.14 3i5f h GLN 16 N -0.80 0.23 -0.24 1.72 1.08 0.06 0.95 115.11 118.11 3i5f h GLN 16 Ca -0.07 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 3i5f h GLN 16 Cb 0.59 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3i5f h GLN 16 CO 0.12 0.15 -0.46 0.93 -0.95 0.00 0.00 178.83 178.62 3i5f h GLU 17 N 0.24 0.63 0.00 1.46 5.08 -0.34 0.43 114.58 122.07 3i5f h GLU 17 Ca 0.46 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3i5f h GLU 17 Cb 1.42 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 3i5f h GLU 17 CO -0.12 0.96 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.59 3i5f h LEU 18 N 0.50 0.00 0.45 1.33 3.38 0.13 0.37 115.31 121.47 3i5f h LEU 18 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i5f h LEU 18 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3i5f h LEU 18 CO 0.09 0.18 -0.22 0.50 0.09 0.00 0.00 178.44 179.09 3i5f h LYS 19 N 0.00 -0.58 -0.44 1.13 3.64 0.13 0.15 116.57 120.59 3i5f h LYS 19 Ca -0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3i5f h LYS 19 Cb 0.69 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3i5f h LYS 19 CO 0.02 -0.32 0.07 0.93 -2.27 0.00 0.00 179.45 177.88 3i5f h GLU 20 N -1.08 0.68 -0.13 1.90 5.08 -0.16 -1.73 114.58 119.14 3i5f h GLU 20 Ca -0.06 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3i5f h GLU 20 Cb 0.54 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3i5f h GLU 20 CO 0.10 0.65 -0.07 0.00 -1.00 0.00 0.00 179.01 178.69 3i5f h ALA 21 N 1.42 0.04 0.00 3.43 0.00 -0.24 0.62 119.26 124.53 3i5f h ALA 21 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i5f h ALA 21 Cb 0.31 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i5f h ALA 21 CO 0.00 -0.52 0.00 0.34 0.00 0.00 0.00 179.25 179.07 3i5f n PHE 22 N -5.21 0.00 -0.05 0.00 7.35 0.50 -2.38 117.46 117.67 3i5f n PHE 22 Ca -0.04 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.55 3i5f n PHE 22 Cb 0.14 -0.38 -0.14 0.00 0.35 0.00 0.00 39.48 39.45 3i5f n PHE 22 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3i5f n THR 23 N -1.38 1.56 0.76 -2.13 -1.04 0.21 -3.75 114.28 108.52 3i5f n THR 23 Ca 0.03 -0.79 0.08 0.00 -2.04 0.00 0.00 64.05 61.33 3i5f n THR 23 Cb 0.08 -0.97 0.41 0.00 -1.82 0.00 0.00 70.33 68.03 3i5f n THR 23 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3i5f n MET 24 N -3.02 0.22 0.02 -2.82 2.81 -0.78 -2.83 117.12 110.72 3i5f n MET 24 Ca -0.24 0.14 -0.19 0.00 -1.81 0.00 0.00 57.70 55.60 3i5f n MET 24 Cb 1.08 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.95 3i5f n MET 24 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3i5f h ILE 25 N 0.00 0.80 -0.04 2.02 2.04 -1.65 -3.36 117.51 117.31 3i5f h ILE 25 Ca 0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 3i5f h ILE 25 Cb 0.16 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3i5f h ILE 25 CO 0.00 0.81 0.00 0.47 0.00 0.00 0.00 178.15 179.43 3i5f n ASP 26 N -3.42 1.93 0.16 1.72 8.00 -1.14 -3.37 116.55 120.43 3i5f n ASP 26 Ca -0.26 -1.65 0.13 0.00 0.71 0.00 0.00 54.79 53.72 3i5f n ASP 26 Cb 1.05 -0.02 0.54 0.00 -0.02 0.00 0.00 41.12 42.68 3i5f n ASP 26 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3i5f h GLN 27 N 2.96 0.00 -0.97 -1.24 4.15 -1.67 8.62 115.11 126.97 3i5f h GLN 27 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3i5f h GLN 27 Cb 0.63 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 3i5f h GLN 27 CO 0.00 0.00 0.07 -0.25 -1.93 0.00 0.00 178.83 176.72 3i5f n ASP 28 N -2.42 2.56 0.00 -0.69 8.00 -1.22 -4.70 116.55 118.09 3i5f n ASP 28 Ca 0.02 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.28 3i5f n ASP 28 Cb 0.24 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3i5f n ASP 28 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i5f n ARG 29 N 0.16 0.00 0.00 -1.24 5.12 2.71 -4.66 116.66 118.75 3i5f n ARG 29 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3i5f n ARG 29 Cb 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 3i5f n ARG 29 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3i5f n ASP 30 N 0.00 0.00 -0.93 0.55 8.00 0.15 -1.68 116.55 122.64 3i5f n ASP 30 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 3i5f n ASP 30 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 3i5f n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i5f n GLY 31 N -0.38 0.97 1.79 0.44 0.00 -1.26 -4.87 105.19 101.88 3i5f n GLY 31 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 3i5f n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5f n PHE 32 N 1.24 -0.16 -2.02 1.61 3.01 -0.68 -4.87 117.46 115.60 3i5f n PHE 32 Ca 0.15 0.05 -0.26 0.00 1.01 0.00 0.00 57.45 58.40 3i5f n PHE 32 Cb 0.57 -1.26 -0.05 0.00 -0.01 0.00 0.00 39.48 38.73 3i5f n PHE 32 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i5f s ILE 33 N -2.68 3.44 0.00 4.37 1.01 -0.90 -4.82 121.20 121.62 3i5f s ILE 33 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3i5f s ILE 33 Cb -0.01 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3i5f s ILE 33 CO 0.03 -0.89 0.00 0.61 0.00 0.00 0.00 174.94 174.69 3i5f n GLY 34 N 6.62 -1.77 0.29 6.18 0.00 -1.26 -3.20 105.19 112.05 3i5f n GLY 34 Ca 0.42 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.47 3i5f n GLY 34 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3i5f h MET 35 N 0.00 0.61 -1.07 1.61 2.86 -1.93 3.18 114.93 120.19 3i5f h MET 35 Ca 0.00 -0.04 0.29 0.00 -2.06 0.00 0.00 59.70 57.89 3i5f h MET 35 Cb 0.00 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.43 3i5f h MET 35 CO 0.00 0.41 0.70 1.49 1.06 0.00 0.00 176.91 180.57 3i5f h GLU 36 N 0.63 0.31 -0.00 1.72 4.57 -1.96 0.81 114.58 120.65 3i5f h GLU 36 Ca 0.39 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 3i5f h GLU 36 Cb 0.46 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3i5f h GLU 36 CO -0.30 0.20 -0.52 -0.25 -1.18 0.00 0.00 179.01 176.96 3i5f n ASP 37 N -4.57 0.93 -0.01 1.04 10.43 0.27 -2.67 116.55 121.97 3i5f n ASP 37 Ca 0.26 -0.96 -0.12 0.00 2.57 0.00 0.00 54.79 56.53 3i5f n ASP 37 Cb 0.96 0.82 -0.08 0.00 1.84 0.00 0.00 41.12 44.66 3i5f n ASP 37 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3i5f h LEU 38 N 0.54 0.08 0.25 0.64 3.38 0.86 1.59 115.31 122.65 3i5f h LEU 38 Ca 0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3i5f h LEU 38 Cb 0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3i5f h LEU 38 CO 0.00 0.38 -0.37 0.11 0.09 0.00 0.00 178.44 178.66 3i5f h LYS 39 N -0.23 -0.63 0.00 1.13 1.57 0.31 -2.86 116.57 115.87 3i5f h LYS 39 Ca 0.01 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3i5f h LYS 39 Cb 0.34 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3i5f h LYS 39 CO 0.00 -0.42 0.00 -0.44 -0.57 0.00 0.00 179.45 178.03 3i5f h ASP 40 N -0.65 0.00 0.97 0.86 3.32 -1.26 -2.68 116.42 116.99 3i5f h ASP 40 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3i5f h ASP 40 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i5f h ASP 40 CO -0.11 0.00 -1.03 0.80 -1.72 0.00 0.00 179.24 177.18 3i5f n MET 41 N -2.70 0.61 0.11 3.56 1.56 0.54 -3.69 117.12 117.10 3i5f n MET 41 Ca -0.02 0.12 0.04 0.00 -0.27 0.00 0.00 57.70 57.57 3i5f n MET 41 Cb 0.06 -1.82 -0.00 0.00 2.15 0.00 0.00 33.22 33.61 3i5f n MET 41 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 3i5f h PHE 42 N 0.00 0.00 -0.26 1.12 0.04 -1.33 -3.32 116.94 113.19 3i5f h PHE 42 Ca -0.01 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 3i5f h PHE 42 Cb 1.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 3i5f h PHE 42 CO 0.00 0.42 -0.29 0.66 -0.60 0.00 0.00 178.31 178.50 3i5f h SER 43 N 0.00 0.52 0.63 2.17 4.64 -1.57 -2.58 113.55 117.37 3i5f h SER 43 Ca -0.06 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3i5f h SER 43 Cb 1.37 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3i5f h SER 43 CO 0.04 0.79 -0.11 -1.20 -0.87 0.00 0.00 176.83 175.49 3i5f n SER 44 N -4.10 0.22 -0.01 4.97 7.64 -1.25 -4.37 113.62 116.72 3i5f n SER 44 Ca -0.01 -0.09 -0.01 0.00 1.01 0.00 0.00 58.87 59.78 3i5f n SER 44 Cb 0.43 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3i5f n SER 44 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i5f h LEU 45 N 0.18 0.00 0.00 -3.43 3.38 -1.59 -3.50 115.31 110.35 3i5f h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i5f h LEU 45 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i5f h LEU 45 CO 0.00 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 3i5f n GLY 46 N 1.79 0.00 3.31 0.83 0.00 -1.12 -5.14 105.19 104.86 3i5f n GLY 46 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3i5f n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5f s ARG 47 N 0.00 0.90 -0.09 1.61 0.52 -1.24 -5.11 118.95 115.54 3i5f s ARG 47 Ca 0.00 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 54.63 3i5f s ARG 47 Cb 0.00 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.83 3i5f s ARG 47 CO 0.00 -0.31 0.51 0.14 0.02 0.00 0.00 175.30 175.66 3i5f s VAL 48 N -2.52 5.13 -0.11 3.52 -7.23 -1.26 -4.48 120.40 113.46 3i5f s VAL 48 Ca -0.05 1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 61.13 3i5f s VAL 48 Cb -0.01 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 3i5f s VAL 48 CO -0.03 0.35 -0.05 -2.16 -0.31 0.00 0.00 175.10 172.90 3i5f s PRO 49 N 0.44 3.21 1.13 4.82 0.05 -1.26 -5.14 135.00 138.24 3i5f s PRO 49 Ca 0.27 -0.53 -0.18 0.00 0.05 0.00 0.00 61.00 60.61 3i5f s PRO 49 Cb -0.16 -2.75 0.29 0.00 0.05 0.00 0.00 34.50 31.93 3i5f s PRO 49 CO 0.12 0.46 0.65 -2.30 0.05 0.00 0.00 177.00 175.98 3i5f n PRO 50 N 2.85 -3.99 0.00 0.56 -0.02 -1.26 -4.99 135.00 128.16 3i5f n PRO 50 Ca -0.18 -1.09 0.00 0.00 -2.02 0.00 0.00 63.50 60.21 3i5f n PRO 50 Cb 0.53 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3i5f n PRO 50 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i5f n ASP 51 N -4.86 0.00 0.00 2.55 10.43 -1.26 -4.16 116.55 119.26 3i5f n ASP 51 Ca 0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.46 3i5f n ASP 51 Cb 0.45 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.41 3i5f n ASP 51 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3i5f n ASP 52 N 0.00 0.00 -0.07 -2.24 5.75 -1.26 0.27 116.55 119.00 3i5f n ASP 52 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 3i5f n ASP 52 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3i5f n ASP 52 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3i5f h GLU 53 N 0.00 0.00 -0.88 0.11 5.08 -1.97 -2.24 114.58 114.68 3i5f h GLU 53 Ca 0.00 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 3i5f h GLU 53 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 3i5f h GLU 53 CO 0.00 0.78 0.40 1.25 -1.00 0.00 0.00 179.01 180.44 3i5f h LEU 54 N -1.00 0.38 -2.90 1.33 5.85 -0.35 3.74 115.31 122.37 3i5f h LEU 54 Ca -0.01 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3i5f h LEU 54 Cb 0.79 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3i5f h LEU 54 CO -0.01 0.06 0.04 -3.20 -0.34 0.00 0.00 178.44 174.99 3i5f n ASN 55 N -5.00 4.37 0.00 1.25 5.15 -1.22 -3.02 115.26 116.79 3i5f n ASN 55 Ca 0.20 -2.71 0.00 0.00 -0.60 0.00 0.00 54.58 51.47 3i5f n ASN 55 Cb 0.59 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 3i5f n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i5f n ALA 56 N 0.36 1.24 -0.03 5.20 0.00 0.81 -4.46 120.51 123.63 3i5f n ALA 56 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 3i5f n ALA 56 Cb 0.97 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.42 3i5f n ALA 56 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3i5f h MET 57 N 0.00 0.17 -0.27 0.00 2.86 0.68 -2.64 114.93 115.72 3i5f h MET 57 Ca 0.00 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3i5f h MET 57 Cb 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3i5f h MET 57 CO 0.00 0.11 -0.21 -0.07 1.06 0.00 0.00 176.91 177.80 3i5f h LEU 58 N 0.17 0.50 -3.11 1.22 3.38 -1.64 -3.18 115.31 112.64 3i5f h LEU 58 Ca 0.07 -0.16 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 3i5f h LEU 58 Cb 0.03 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 40.49 3i5f h LEU 58 CO -0.06 0.71 0.33 0.29 0.09 0.00 0.00 178.44 179.80 3i5f n LYS 59 N -4.15 2.06 0.07 1.13 5.02 -1.01 -2.87 118.16 118.42 3i5f n LYS 59 Ca -0.00 -1.87 0.13 0.00 -2.02 0.00 0.00 58.31 54.55 3i5f n LYS 59 Cb 0.38 -1.77 0.34 0.00 -0.02 0.00 0.00 35.03 33.96 3i5f n LYS 59 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i5f n GLU 60 N -0.35 0.22 -4.29 1.97 1.02 -1.15 -4.60 120.64 113.46 3i5f n GLU 60 Ca 0.33 0.13 -0.31 0.00 -0.02 0.00 0.00 57.16 57.30 3i5f n GLU 60 Cb 1.15 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 3i5f n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i5f n PRO 62 N 1.00 0.00 0.00 0.00 -0.02 -1.26 -4.91 135.00 129.81 3i5f n PRO 62 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3i5f n PRO 62 Cb 0.52 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 3i5f n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5f n GLY 63 N 1.96 0.58 3.03 -1.23 0.00 -1.26 -4.95 105.19 103.33 3i5f n GLY 63 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3i5f n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i5f s GLN 64 N 0.00 0.80 -0.72 1.61 -0.21 -1.26 -5.00 119.66 114.88 3i5f s GLN 64 Ca 0.00 -0.34 -0.22 0.00 0.02 0.00 0.00 55.36 54.82 3i5f s GLN 64 Cb 0.00 -0.77 -0.17 0.00 1.00 0.00 0.00 33.01 33.07 3i5f s GLN 64 CO 0.00 0.20 1.91 -0.11 -2.12 0.00 0.00 175.29 175.17 3i5f n LEU 65 N 2.87 3.89 0.00 2.90 7.94 -1.26 -4.74 117.00 128.60 3i5f n LEU 65 Ca -0.14 -2.79 -0.11 0.00 -1.11 0.00 0.00 56.01 51.86 3i5f n LEU 65 Cb 0.56 -1.07 0.08 0.00 0.53 0.00 0.00 43.42 43.53 3i5f n LEU 65 CO 0.25 -0.44 0.31 -0.46 -1.11 0.00 0.00 177.39 175.94 3i5f n ASN 66 N 7.44 -0.32 -0.04 1.96 0.23 -1.26 -4.70 115.26 118.57 3i5f n ASN 66 Ca 0.49 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.58 53.35 3i5f n ASN 66 Cb 0.39 -0.39 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 3i5f n ASN 66 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3i5f h PHE 67 N -1.46 -0.03 -0.58 -2.53 3.57 -1.96 0.50 116.94 114.45 3i5f h PHE 67 Ca -0.16 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.44 3i5f h PHE 67 Cb 0.46 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.10 3i5f h PHE 67 CO 0.00 0.67 -0.28 1.15 -2.23 0.00 0.00 178.31 177.62 3i5f h THR 68 N -0.93 0.24 -0.30 4.41 2.02 -1.95 0.68 112.91 117.07 3i5f h THR 68 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 3i5f h THR 68 Cb 0.71 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3i5f h THR 68 CO 0.01 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.76 3i5f h ALA 69 N 1.17 1.20 0.00 6.16 0.00 -1.85 -0.78 119.26 125.16 3i5f h ALA 69 Ca 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i5f h ALA 69 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i5f h ALA 69 CO -0.65 0.52 -0.02 0.35 0.00 0.00 0.00 179.25 179.44 3i5f h PHE 70 N 0.48 0.00 0.07 0.00 3.57 0.52 -0.16 116.94 121.42 3i5f h PHE 70 Ca 0.09 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.33 3i5f h PHE 70 Cb 0.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3i5f h PHE 70 CO 0.02 0.02 -1.26 -0.07 -2.23 0.00 0.00 178.31 174.79 3i5f h LEU 71 N 0.00 0.22 -0.91 0.59 3.38 0.14 -3.31 115.31 115.42 3i5f h LEU 71 Ca -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3i5f h LEU 71 Cb 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3i5f h LEU 71 CO 0.00 1.21 0.41 0.74 0.09 0.00 0.00 178.44 180.89 3i5f h THR 72 N 0.04 1.25 0.00 0.22 2.02 -0.69 0.74 112.91 116.49 3i5f h THR 72 Ca -0.13 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3i5f h THR 72 Cb 1.91 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3i5f h THR 72 CO 0.15 0.30 -0.14 0.25 0.37 0.00 0.00 175.52 176.46 3i5f h LEU 73 N 1.18 0.00 0.12 2.58 5.85 -1.68 -3.08 115.31 120.28 3i5f h LEU 73 Ca 0.29 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.70 3i5f h LEU 73 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3i5f h LEU 73 CO -0.04 0.14 -1.54 -0.26 -0.34 0.00 0.00 178.44 176.39 3i5f h PHE 74 N 0.00 0.45 0.64 1.25 0.05 -1.40 -3.38 116.94 114.55 3i5f h PHE 74 Ca -0.00 -0.33 -0.03 0.00 3.82 0.00 0.00 57.97 61.43 3i5f h PHE 74 Cb 0.70 -0.02 0.01 0.00 2.00 0.00 0.00 35.95 38.63 3i5f h PHE 74 CO 0.00 1.39 -0.31 0.78 -0.18 0.00 0.00 178.31 179.99 3i5f h GLY 75 N 1.68 -0.90 0.15 -1.45 0.00 -0.81 -2.58 103.07 99.16 3i5f h GLY 75 Ca -0.25 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3i5f h GLY 75 CO 0.16 -0.33 0.39 1.18 0.00 0.00 0.00 176.54 177.94 3i5f n GLU 76 N -4.55 0.00 0.00 4.80 1.02 -1.19 0.24 120.64 120.96 3i5f n GLU 76 Ca -0.11 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.08 3i5f n GLU 76 Cb 0.34 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3i5f n GLU 76 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i5f n LYS 77 N -0.97 2.36 -0.08 3.49 4.76 -1.00 -4.79 118.16 121.94 3i5f n LYS 77 Ca 0.00 -0.38 0.04 0.00 -2.87 0.00 0.00 58.31 55.10 3i5f n LYS 77 Cb 0.39 -0.87 0.06 0.00 -1.84 0.00 0.00 35.03 32.77 3i5f n LYS 77 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i5f n VAL 78 N -0.37 1.21 -0.12 -0.18 0.31 0.66 -4.95 118.33 114.88 3i5f n VAL 78 Ca 0.01 -1.37 -0.02 0.00 -0.01 0.00 0.00 64.34 62.95 3i5f n VAL 78 Cb 0.06 0.22 -0.02 0.00 -0.91 0.00 0.00 33.84 33.19 3i5f n VAL 78 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3i5f n SER 79 N -0.82 0.68 0.00 4.52 7.64 -1.22 -2.29 113.62 122.13 3i5f n SER 79 Ca 0.07 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.27 3i5f n SER 79 Cb 0.49 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3i5f n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5f n GLY 80 N 3.08 0.00 2.63 0.23 0.00 -1.26 -3.51 105.19 106.36 3i5f n GLY 80 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i5f n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5f n THR 81 N 0.00 0.00 -1.48 2.61 -1.04 -0.97 -4.78 114.28 108.62 3i5f n THR 81 Ca 0.00 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.47 3i5f n THR 81 Cb 0.00 -0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.50 3i5f n THR 81 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i5f n ASP 82 N 3.12 -0.20 -1.90 8.00 8.00 -1.26 -4.85 116.55 127.46 3i5f n ASP 82 Ca 0.00 1.15 -0.18 0.00 0.71 0.00 0.00 54.79 56.47 3i5f n ASP 82 Cb 0.00 -0.97 0.02 0.00 -0.02 0.00 0.00 41.12 40.14 3i5f n ASP 82 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3i5f n PRO 83 N 1.40 0.00 0.31 -0.24 -0.02 -1.26 -4.64 135.00 130.54 3i5f n PRO 83 Ca 0.19 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 3i5f n PRO 83 Cb 0.16 -0.48 -0.06 0.00 -0.02 0.00 0.00 33.50 33.10 3i5f n PRO 83 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i5f h GLU 84 N -0.48 -0.79 0.00 -0.52 5.08 -1.99 -3.04 114.58 112.85 3i5f h GLU 84 Ca -0.19 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3i5f h GLU 84 Cb 0.65 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3i5f h GLU 84 CO 0.10 -0.53 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.00 3i5f h ASP 85 N -1.09 0.00 0.30 1.42 3.32 -1.97 1.03 116.42 119.43 3i5f h ASP 85 Ca -0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3i5f h ASP 85 Cb 0.63 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3i5f h ASP 85 CO 0.14 0.15 -0.16 0.00 -1.72 0.00 0.00 179.24 177.65 3i5f h ALA 86 N 1.85 1.43 0.01 3.45 0.00 -1.88 -1.51 119.26 122.60 3i5f h ALA 86 Ca -0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 3i5f h ALA 86 Cb 0.37 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3i5f h ALA 86 CO 0.02 0.20 -2.08 -0.11 0.00 0.00 0.00 179.25 177.28 3i5f n LEU 87 N -3.89 0.87 0.10 0.00 7.94 0.26 -3.58 117.00 118.70 3i5f n LEU 87 Ca -0.02 0.18 -0.03 0.00 -1.11 0.00 0.00 56.01 55.03 3i5f n LEU 87 Cb 0.25 0.09 0.15 0.00 0.53 0.00 0.00 43.42 44.44 3i5f n LEU 87 CO 0.33 0.53 0.51 0.03 -1.11 0.00 0.00 177.39 177.67 3i5f h ARG 88 N 0.01 0.17 -0.12 1.96 3.08 0.88 -3.18 114.38 117.18 3i5f h ARG 88 Ca -0.43 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.30 3i5f h ARG 88 Cb 2.10 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.17 3i5f h ARG 88 CO 0.05 0.70 -0.77 -0.97 -1.07 0.00 0.00 179.97 177.90 3i5f h ASN 89 N 0.13 0.76 -0.32 7.04 -1.24 -1.45 -3.09 115.58 117.40 3i5f h ASN 89 Ca -0.00 -0.50 0.03 0.00 0.71 0.00 0.00 56.30 56.54 3i5f h ASN 89 Cb 1.05 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.82 3i5f h ASN 89 CO 0.08 1.28 -0.35 0.00 -1.29 0.00 0.00 177.43 177.16 3i5f h ALA 90 N 0.70 -0.54 -0.92 1.57 0.00 -1.60 0.70 119.26 119.17 3i5f h ALA 90 Ca -0.05 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.14 3i5f h ALA 90 Cb 1.38 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.15 3i5f h ALA 90 CO 0.15 -0.72 0.67 0.74 0.00 0.00 0.00 179.25 180.09 3i5f h PHE 91 N -0.19 0.00 -0.33 0.00 -1.00 -1.63 0.27 116.94 114.05 3i5f h PHE 91 Ca 0.05 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 3i5f h PHE 91 Cb 0.34 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 3i5f h PHE 91 CO -0.74 0.00 -0.13 0.77 -1.61 0.00 0.00 178.31 176.60 3i5f h SER 92 N 0.00 0.57 -0.73 2.17 0.02 0.45 -2.92 113.55 113.10 3i5f h SER 92 Ca 0.44 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 3i5f h SER 92 Cb 1.78 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 64.12 3i5f h SER 92 CO -0.00 0.73 0.48 0.24 -1.14 0.00 0.00 176.83 177.13 3i5f h MET 93 N 0.53 0.69 -2.41 3.45 2.86 0.73 -2.93 114.93 117.86 3i5f h MET 93 Ca 0.09 -0.04 -0.70 0.00 -2.06 0.00 0.00 59.70 57.00 3i5f h MET 93 Cb 0.54 -0.16 -0.35 0.00 0.06 0.00 0.00 31.60 31.69 3i5f h MET 93 CO 0.03 0.46 0.10 1.19 1.06 0.00 0.00 176.91 179.75 3i5f n PHE 94 N -4.49 3.20 0.05 -0.22 3.01 -1.10 -4.43 117.46 113.47 3i5f n PHE 94 Ca 0.11 -3.37 0.00 0.00 1.01 0.00 0.00 57.45 55.20 3i5f n PHE 94 Cb 0.27 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.88 3i5f n PHE 94 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3i5f n ASP 95 N 0.51 -0.85 -1.73 4.37 -0.08 -1.16 -4.65 116.55 112.96 3i5f n ASP 95 Ca 0.33 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 3i5f n ASP 95 Cb 0.35 1.12 0.00 0.00 2.34 0.00 0.00 41.12 44.94 3i5f n ASP 95 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3i5f n GLU 96 N -2.64 -0.88 -0.08 -0.67 -0.58 -1.11 -4.48 120.64 110.19 3i5f n GLU 96 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3i5f n GLU 96 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 3i5f n GLU 96 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3i5f n ASP 97 N 0.49 2.27 0.00 1.62 -0.08 -1.26 -5.06 116.55 114.53 3i5f n ASP 97 Ca 0.00 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 3i5f n ASP 97 Cb 0.00 0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.56 3i5f n ASP 97 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i5f n GLY 98 N 2.48 3.14 0.00 0.27 0.00 -1.26 -5.07 105.19 104.75 3i5f n GLY 98 Ca -0.28 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3i5f n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5f n GLN 99 N 0.00 2.31 -2.69 1.61 6.02 -1.26 -4.87 117.38 118.50 3i5f n GLN 99 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 3i5f n GLN 99 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3i5f n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i5f n GLY 100 N 0.00 5.82 3.26 1.08 0.00 -1.26 -5.03 105.19 109.05 3i5f n GLY 100 Ca 0.00 -2.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.13 3i5f n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5f s PHE 101 N -3.54 -0.15 -0.07 1.61 0.40 -1.26 -2.89 117.98 112.09 3i5f s PHE 101 Ca 0.48 0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.97 3i5f s PHE 101 Cb 0.34 0.11 -0.02 0.00 0.51 0.00 0.00 43.02 43.96 3i5f s PHE 101 CO -0.17 -0.47 -0.19 0.42 0.70 0.00 0.00 175.22 175.51 3i5f s ILE 102 N -2.08 2.59 0.48 0.64 1.01 -1.20 -4.68 121.20 117.95 3i5f s ILE 102 Ca -0.08 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 3i5f s ILE 102 Cb -0.02 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 3i5f s ILE 102 CO -0.00 0.57 1.01 -2.84 0.00 0.00 0.00 174.94 173.68 3i5f s PRO 103 N -0.29 3.88 0.06 2.79 0.02 -1.26 -1.08 135.00 139.12 3i5f s PRO 103 Ca 0.01 1.25 -0.18 0.00 0.02 0.00 0.00 61.00 62.09 3i5f s PRO 103 Cb -0.13 -2.11 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 3i5f s PRO 103 CO 0.03 -0.35 1.30 1.49 -0.33 0.00 0.00 177.00 179.14 3i5f h GLU 104 N 1.49 -0.32 -0.78 5.54 4.81 -1.78 -1.32 114.58 122.22 3i5f h GLU 104 Ca -0.49 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 58.92 3i5f h GLU 104 Cb 1.21 0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.51 3i5f h GLU 104 CO 0.60 -0.21 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.00 3i5f h ASP 105 N -0.33 -0.81 0.00 1.04 3.32 -1.93 0.68 116.42 118.39 3i5f h ASP 105 Ca 0.01 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3i5f h ASP 105 Cb 0.38 0.51 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3i5f h ASP 105 CO -0.23 -0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.02 3i5f n TYR 106 N -5.51 0.00 0.00 4.55 -0.00 -0.89 -2.82 117.16 112.49 3i5f n TYR 106 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 3i5f n TYR 106 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 3i5f n TYR 106 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 3i5f n LEU 107 N 0.00 0.00 0.46 2.98 7.94 -0.55 0.16 117.00 127.99 3i5f n LEU 107 Ca 0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 3i5f n LEU 107 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3i5f n LEU 107 CO 0.00 0.00 0.59 0.50 -1.11 0.00 0.00 177.39 177.37 3i5f h LYS 108 N 0.00 -1.11 -0.18 1.96 3.64 -0.85 0.56 116.57 120.58 3i5f h LYS 108 Ca 0.00 0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3i5f h LYS 108 Cb 0.00 0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 3i5f h LYS 108 CO 0.00 -0.74 -0.42 0.22 -2.27 0.00 0.00 179.45 176.23 3i5f h ASP 109 N -1.15 -1.35 -0.29 4.20 1.82 0.17 -1.25 116.42 118.57 3i5f h ASP 109 Ca -0.12 0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 3i5f h ASP 109 Cb 0.88 0.56 -0.03 0.00 0.68 0.00 0.00 39.33 41.42 3i5f h ASP 109 CO 0.19 -0.42 -0.17 -0.11 -1.61 0.00 0.00 179.24 177.13 3i5f n LEU 110 N -5.43 -0.31 0.12 2.28 7.94 -1.07 0.97 117.00 121.50 3i5f n LEU 110 Ca -0.04 0.94 0.13 0.00 -1.11 0.00 0.00 56.01 55.93 3i5f n LEU 110 Cb 0.36 -0.28 0.40 0.00 0.53 0.00 0.00 43.42 44.43 3i5f n LEU 110 CO 0.11 -0.63 0.88 -0.07 -1.11 0.00 0.00 177.39 176.57 3i5f h LEU 111 N 0.00 0.00 0.00 -1.96 3.38 -0.77 -3.22 115.31 112.73 3i5f h LEU 111 Ca 0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 3i5f h LEU 111 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3i5f h LEU 111 CO -0.27 0.00 -2.11 1.21 0.09 0.00 0.00 178.44 177.36 3i5f n GLU 112 N -2.32 0.96 -0.04 1.13 2.13 -0.04 0.69 120.64 123.14 3i5f n GLU 112 Ca 0.05 -0.06 -0.07 0.00 0.66 0.00 0.00 57.16 57.74 3i5f n GLU 112 Cb 0.42 -1.45 -0.04 0.00 0.27 0.00 0.00 31.44 30.64 3i5f n GLU 112 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3i5f n ASN 113 N -2.50 2.33 -4.98 4.31 3.02 0.27 -3.88 115.26 113.84 3i5f n ASN 113 Ca -0.21 0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.15 3i5f n ASN 113 Cb 0.90 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.91 3i5f n ASN 113 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3i5f s MET 114 N -2.17 2.86 2.76 3.52 -1.94 -1.22 -4.64 119.30 118.47 3i5f s MET 114 Ca -0.12 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 3i5f s MET 114 Cb 0.04 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 34.26 3i5f s MET 114 CO 0.18 -0.36 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 3i5f n GLY 115 N -2.05 -0.30 1.86 -0.03 0.00 -1.26 -3.33 105.19 100.09 3i5f n GLY 115 Ca 0.04 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 3i5f n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5f n ASP 116 N -0.93 4.82 0.00 1.61 8.00 -1.26 -4.90 116.55 123.88 3i5f n ASP 116 Ca 0.00 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.14 3i5f n ASP 116 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 3i5f n ASP 116 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i5f n ASN 117 N 2.18 0.00 -4.81 -2.24 3.02 -1.21 -4.92 115.26 107.29 3i5f n ASN 117 Ca 0.25 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.42 3i5f n ASN 117 Cb 0.70 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.81 3i5f n ASN 117 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i5f s PHE 118 N 0.00 3.75 0.77 3.10 0.40 0.22 -4.98 117.98 121.23 3i5f s PHE 118 Ca 0.00 1.15 -0.11 0.00 -0.60 0.00 0.00 56.93 57.37 3i5f s PHE 118 Cb 0.00 -2.45 0.06 0.00 0.51 0.00 0.00 43.02 41.14 3i5f s PHE 118 CO 0.00 0.54 1.13 -1.54 0.70 0.00 0.00 175.22 176.06 3i5f s SER 119 N -0.86 4.77 0.09 1.36 1.04 -1.26 -4.44 113.70 114.40 3i5f s SER 119 Ca 0.27 0.80 -0.23 0.00 0.48 0.00 0.00 55.95 57.28 3i5f s SER 119 Cb -0.18 -1.39 -0.14 0.00 0.10 0.00 0.00 66.02 64.40 3i5f s SER 119 CO 0.16 -1.73 1.73 0.11 0.98 0.00 0.00 173.24 174.50 3i5f h LYS 120 N -0.89 0.04 -0.98 4.02 1.57 -1.97 -0.56 116.57 117.79 3i5f h LYS 120 Ca -0.46 -0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.54 3i5f h LYS 120 Cb 1.31 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 3i5f h LYS 120 CO 0.65 0.04 0.62 0.93 -0.57 0.00 0.00 179.45 181.12 3i5f h GLU 121 N 0.02 0.55 0.21 3.15 3.07 -1.99 0.33 114.58 119.92 3i5f h GLU 121 Ca 0.01 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.50 3i5f h GLU 121 Cb 0.01 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3i5f h GLU 121 CO -0.00 0.36 -1.60 0.93 -1.40 0.00 0.00 179.01 177.30 3i5f h GLU 122 N 0.57 0.44 -0.02 2.33 5.08 -1.90 -2.82 114.58 118.25 3i5f h GLU 122 Ca 0.55 -0.74 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3i5f h GLU 122 Cb 1.13 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 3i5f h GLU 122 CO -0.30 1.35 -0.21 0.82 -1.00 0.00 0.00 179.01 179.66 3i5f h ILE 123 N 0.12 1.16 0.00 3.13 2.04 0.09 -0.87 117.51 123.18 3i5f h ILE 123 Ca -0.29 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3i5f h ILE 123 Cb 2.12 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3i5f h ILE 123 CO 0.22 0.22 0.00 0.29 0.00 0.00 0.00 178.15 178.88 3i5f n LYS 124 N -4.28 0.00 -0.26 2.37 5.02 0.10 -3.02 118.16 118.09 3i5f n LYS 124 Ca -0.02 0.02 0.23 0.00 -2.02 0.00 0.00 58.31 56.51 3i5f n LYS 124 Cb 0.28 -0.88 0.38 0.00 -0.02 0.00 0.00 35.03 34.79 3i5f n LYS 124 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i5f n ASN 125 N -0.56 0.13 0.07 4.39 3.02 -1.07 0.35 115.26 121.59 3i5f n ASN 125 Ca 0.00 0.81 0.05 0.00 -0.03 0.00 0.00 54.58 55.41 3i5f n ASN 125 Cb 0.00 -0.40 0.27 0.00 -0.61 0.00 0.00 39.78 39.04 3i5f n ASN 125 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i5f n VAL 126 N -3.86 1.56 -0.07 2.41 0.31 -0.34 -2.54 118.33 115.80 3i5f n VAL 126 Ca 0.23 0.61 -0.07 0.00 -0.01 0.00 0.00 64.34 65.09 3i5f n VAL 126 Cb 0.88 -1.61 -0.09 0.00 -0.91 0.00 0.00 33.84 32.11 3i5f n VAL 126 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3i5f n TRP 127 N -1.84 0.00 -0.22 3.52 7.02 1.07 -3.71 117.44 123.28 3i5f n TRP 127 Ca -0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 3i5f n TRP 127 Cb 0.02 -0.62 -0.02 0.00 -2.42 0.00 0.00 31.31 28.26 3i5f n TRP 127 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3i5f h LYS 128 N 0.00 -0.19 0.00 -0.99 1.57 -1.51 -1.96 116.57 113.49 3i5f h LYS 128 Ca -0.35 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3i5f h LYS 128 Cb 1.72 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.07 3i5f h LYS 128 CO -0.00 -0.12 -0.79 -0.25 -0.57 0.00 0.00 179.45 177.72 3i5f n ASP 129 N -5.41 0.65 -4.58 0.86 8.00 -1.24 -5.03 116.55 109.80 3i5f n ASP 129 Ca 0.03 -0.38 -0.54 0.00 0.71 0.00 0.00 54.79 54.60 3i5f n ASP 129 Cb 0.35 0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 41.97 3i5f n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i5f n ALA 130 N -1.62 -1.55 -0.48 2.24 0.00 -0.74 -4.89 120.51 113.47 3i5f n ALA 130 Ca 0.04 0.53 -0.06 0.00 0.00 0.00 0.00 53.44 53.95 3i5f n ALA 130 Cb 0.37 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 3i5f n ALA 130 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i5f n PRO 131 N 2.47 0.97 -3.20 0.00 -0.02 -1.26 -4.72 135.00 129.23 3i5f n PRO 131 Ca 0.19 -0.48 -0.44 0.00 -2.02 0.00 0.00 63.50 60.75 3i5f n PRO 131 Cb 0.16 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3i5f n PRO 131 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i5f n LEU 132 N 2.74 5.80 -4.73 2.45 4.77 -1.26 -3.11 117.00 123.65 3i5f n LEU 132 Ca 0.21 -5.05 -0.35 0.00 -0.03 0.00 0.00 56.01 50.79 3i5f n LEU 132 Cb 0.44 -1.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.02 3i5f n LEU 132 CO 0.18 1.41 -0.26 -0.54 -1.33 0.00 0.00 177.39 176.86 3i5f s LYS 133 N -1.51 3.30 0.51 3.23 1.02 -1.26 -4.87 119.74 120.15 3i5f s LYS 133 Ca 0.32 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.00 3i5f s LYS 133 Cb -0.05 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 3i5f s LYS 133 CO -0.02 0.65 0.00 -1.71 -0.92 0.00 0.00 175.35 173.35 3i5f n ASN 134 N 2.34 -6.66 -2.69 2.83 2.85 -1.26 -4.00 115.26 108.66 3i5f n ASN 134 Ca -0.19 1.35 -0.24 0.00 -0.11 0.00 0.00 54.58 55.39 3i5f n ASN 134 Cb 0.54 -4.07 -0.09 0.00 1.24 0.00 0.00 39.78 37.40 3i5f n ASN 134 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i5f n LYS 135 N -3.35 2.62 -0.23 1.20 4.76 -1.26 -4.76 118.16 117.14 3i5f n LYS 135 Ca -0.05 -1.50 0.00 0.00 -2.87 0.00 0.00 58.31 53.90 3i5f n LYS 135 Cb 0.50 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 3i5f n LYS 135 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3i5f n GLN 136 N 3.15 1.26 -3.17 1.97 6.02 -1.26 -3.67 117.38 121.69 3i5f n GLN 136 Ca 0.56 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.57 3i5f n GLN 136 Cb 0.51 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.76 3i5f n GLN 136 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3i5f s PHE 137 N -0.48 -1.78 -0.73 1.08 5.36 -0.24 -4.29 117.98 116.89 3i5f s PHE 137 Ca 0.00 0.86 -0.25 0.00 -0.96 0.00 0.00 56.93 56.59 3i5f s PHE 137 Cb 0.00 0.28 -0.14 0.00 -0.34 0.00 0.00 43.02 42.82 3i5f s PHE 137 CO 0.00 -1.10 2.41 -1.71 -1.46 0.00 0.00 175.22 173.36 3i5f n ASN 138 N 5.21 1.61 0.08 6.13 2.85 -1.18 -3.24 115.26 126.71 3i5f n ASN 138 Ca 0.06 -1.05 0.02 0.00 -0.11 0.00 0.00 54.58 53.50 3i5f n ASN 138 Cb 0.54 -1.51 0.37 0.00 1.24 0.00 0.00 39.78 40.42 3i5f n ASN 138 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 3i5f h TYR 139 N 14.60 0.35 0.00 1.20 -0.00 -1.88 -2.65 116.97 128.58 3i5f h TYR 139 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.63 3i5f h TYR 139 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.73 3i5f h TYR 139 CO 1.12 0.41 0.00 0.09 -0.00 0.00 0.00 178.16 179.77 3i5f n ASN 140 N -4.30 0.97 0.00 0.10 3.02 -1.26 -3.32 115.26 110.47 3i5f n ASN 140 Ca 0.00 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3i5f n ASN 140 Cb 0.24 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3i5f n ASN 140 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i5f n LYS 141 N 0.58 0.00 0.02 3.52 4.81 -1.00 -3.67 118.16 122.42 3i5f n LYS 141 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 3i5f n LYS 141 Cb 0.18 -0.41 0.12 0.00 0.02 0.00 0.00 35.03 34.93 3i5f n LYS 141 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3i5f n MET 142 N -2.50 0.02 -0.07 1.64 2.81 -1.21 0.63 117.12 118.44 3i5f n MET 142 Ca 0.00 0.49 -0.08 0.00 -1.81 0.00 0.00 57.70 56.30 3i5f n MET 142 Cb 0.25 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 31.14 3i5f n MET 142 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i5f h VAL 143 N 0.00 0.53 -0.15 2.03 2.07 -1.80 -2.50 116.25 116.43 3i5f h VAL 143 Ca 0.00 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.07 3i5f h VAL 143 Cb 0.04 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3i5f h VAL 143 CO 0.00 0.18 0.12 0.44 0.02 0.00 0.00 177.57 178.33 3i5f h ASP 144 N -1.00 0.00 -0.23 0.57 3.32 0.45 2.48 116.42 122.01 3i5f h ASP 144 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3i5f h ASP 144 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i5f h ASP 144 CO -0.04 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.10 3i5f n ILE 145 N -4.37 0.41 0.16 0.35 5.41 2.74 -1.96 119.36 122.09 3i5f n ILE 145 Ca 0.01 -0.33 -0.06 0.00 1.00 0.00 0.00 62.75 63.36 3i5f n ILE 145 Cb 0.24 0.06 -0.03 0.00 -0.71 0.00 0.00 39.64 39.20 3i5f n ILE 145 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3i5f h LYS 146 N 1.35 -0.39 0.00 0.38 3.64 0.48 -3.40 116.57 118.62 3i5f h LYS 146 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3i5f h LYS 146 Cb 0.42 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3i5f h LYS 146 CO 0.03 -0.26 -0.18 0.41 -2.27 0.00 0.00 179.45 177.17 3i5f n GLY 147 N -0.85 -0.54 0.00 5.01 0.00 -1.25 -5.05 105.19 102.51 3i5f n GLY 147 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i5f n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i5f n LYS 148 N -2.87 0.00 0.03 1.61 4.81 -0.83 -5.12 118.16 115.79 3i5f n LYS 148 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3i5f n LYS 148 Cb 0.09 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.14 3i5f n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i5f n ALA 149 N -0.83 0.00 -3.70 3.14 0.00 -1.11 -4.86 120.51 113.14 3i5f n ALA 149 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3i5f n ALA 149 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i5f n ALA 149 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i5f s GLU 150 N -1.18 1.27 0.00 0.00 2.12 -1.26 -5.10 118.70 114.55 3i5f s GLU 150 Ca 0.00 -0.66 0.20 0.00 0.36 0.00 0.00 54.97 54.88 3i5f s GLU 150 Cb 0.00 0.47 1.21 0.00 0.26 0.00 0.00 34.13 36.06 3i5f s GLU 150 CO 0.00 -0.58 1.59 -0.25 -0.54 0.00 0.00 175.26 175.48