#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m s ILE 4 N 0.00 1.01 0.07 0.58 1.09 -1.26 -5.03 121.20 117.66 3i1m s ILE 4 Ca 0.00 -0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.14 3i1m s ILE 4 Cb 0.00 -1.12 0.00 0.00 -1.06 0.00 0.00 42.46 40.28 3i1m s ILE 4 CO 0.00 0.25 0.00 0.54 -0.10 0.00 0.00 174.94 175.63 3i1m n ARG 5 N 4.93 -5.14 -3.26 2.79 1.74 -1.26 -4.79 116.66 111.67 3i1m n ARG 5 Ca -0.12 3.72 -0.41 0.00 -0.77 0.00 0.00 57.85 60.28 3i1m n ARG 5 Cb 0.49 -4.48 -0.08 0.00 -1.02 0.00 0.00 32.46 27.37 3i1m n ARG 5 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i1m s THR 6 N -0.56 5.05 -0.17 0.55 -4.23 -1.26 -4.77 115.64 110.25 3i1m s THR 6 Ca 0.00 0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3i1m s THR 6 Cb 0.00 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.95 3i1m s THR 6 CO 0.00 -0.09 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.09 3i1m s LEU 7 N 2.33 2.47 0.00 4.79 1.02 -1.22 -5.02 118.68 123.06 3i1m s LEU 7 Ca 0.19 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3i1m s LEU 7 Cb -0.16 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.48 3i1m s LEU 7 CO 0.12 0.05 0.00 0.00 0.02 0.00 0.00 176.35 176.54 3i1m n GLN 8 N 4.31 2.41 0.00 1.70 1.13 -1.26 -1.46 117.38 124.22 3i1m n GLN 8 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 3i1m n GLN 8 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3i1m n GLN 8 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1m n GLY 9 N 5.00 1.63 0.00 1.08 0.00 -1.26 -4.72 105.19 106.92 3i1m n GLY 9 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3i1m n GLY 9 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1m n ARG 10 N 1.66 2.52 0.00 1.61 1.85 -1.07 -2.83 116.66 120.40 3i1m n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i1m n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i1m n ARG 10 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3i1m n VAL 11 N -0.02 0.00 0.00 8.89 0.31 -1.26 -2.86 118.33 123.39 3i1m n VAL 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1m n VAL 11 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1m n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3i1m n VAL 12 N 0.00 0.00 0.00 2.52 3.14 -1.24 -3.16 118.33 119.59 3i1m n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i1m n VAL 12 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i1m n VAL 12 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3i1m n SER 13 N 0.00 0.00 0.11 6.55 2.88 -1.26 -4.99 113.62 116.91 3i1m n SER 13 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3i1m n SER 13 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3i1m n SER 13 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3i1m h ASP 14 N 0.00 -0.25 -0.89 -3.46 1.82 -1.88 -3.41 116.42 108.36 3i1m h ASP 14 Ca 0.00 0.01 -0.55 0.00 -0.39 0.00 0.00 57.03 56.10 3i1m h ASP 14 Cb 0.00 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 3i1m h ASP 14 CO 0.00 -0.13 1.60 1.17 -1.61 0.00 0.00 179.24 180.27 3i1m n LYS 15 N -3.06 0.69 -0.86 0.28 3.00 -1.26 -4.61 118.16 112.35 3i1m n LYS 15 Ca -0.04 0.09 -0.01 0.00 -0.00 0.00 0.00 58.31 58.35 3i1m n LYS 15 Cb 0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 35.03 32.67 3i1m n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1m n MET 16 N 8.55 0.06 -3.72 1.64 0.00 -1.26 -4.99 117.12 117.41 3i1m n MET 16 Ca 0.48 -0.22 -0.09 0.00 0.00 0.00 0.00 57.70 57.87 3i1m n MET 16 Cb 0.27 0.41 0.00 0.00 0.00 0.00 0.00 33.22 33.90 3i1m n MET 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3i1m n GLU 17 N -0.07 -0.90 -2.43 3.17 2.13 -1.26 0.12 120.64 121.40 3i1m n GLU 17 Ca -0.05 -0.38 -0.05 0.00 0.66 0.00 0.00 57.16 57.33 3i1m n GLU 17 Cb 0.40 0.21 0.03 0.00 0.27 0.00 0.00 31.44 32.34 3i1m n GLU 17 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i1m n LYS 18 N -1.74 -2.02 -1.91 5.31 5.02 -1.26 -5.00 118.16 116.56 3i1m n LYS 18 Ca -0.03 0.28 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 3i1m n LYS 18 Cb 0.11 -3.53 0.05 0.00 -0.02 0.00 0.00 35.03 31.64 3i1m n LYS 18 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1m n SER 19 N -1.74 1.54 -4.72 4.39 2.88 0.33 -4.52 113.62 111.79 3i1m n SER 19 Ca -0.09 -2.32 -0.42 0.00 -1.33 0.00 0.00 58.87 54.71 3i1m n SER 19 Cb 0.55 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 3i1m n SER 19 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 3i1m s ILE 20 N -1.95 3.31 0.11 2.46 1.10 -1.25 -4.83 121.20 120.15 3i1m s ILE 20 Ca 0.33 0.95 0.08 0.00 -0.51 0.00 0.00 60.65 61.50 3i1m s ILE 20 Cb 0.37 -3.61 -0.04 0.00 0.15 0.00 0.00 42.46 39.33 3i1m s ILE 20 CO -0.10 0.08 -0.14 0.68 -2.11 0.00 0.00 174.94 173.35 3i1m s VAL 21 N 1.00 3.10 -0.04 4.00 -7.23 -1.26 -0.79 120.40 119.19 3i1m s VAL 21 Ca 0.64 -1.40 0.07 0.00 -1.81 0.00 0.00 61.98 59.48 3i1m s VAL 21 Cb -0.37 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 3i1m s VAL 21 CO 0.31 0.10 -0.25 -0.69 -0.31 0.00 0.00 175.10 174.26 3i1m s VAL 22 N -1.19 2.04 -0.43 1.32 1.01 0.16 -3.73 120.40 119.58 3i1m s VAL 22 Ca 0.20 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 3i1m s VAL 22 Cb -0.11 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3i1m s VAL 22 CO 0.12 0.57 0.61 0.00 0.00 0.00 0.00 175.10 176.40 3i1m s ALA 23 N -0.41 3.36 -0.67 5.51 0.00 -1.14 -1.39 121.76 127.03 3i1m s ALA 23 Ca 0.04 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 3i1m s ALA 23 Cb -0.12 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 19.92 3i1m s ALA 23 CO 0.01 -1.73 0.61 0.42 0.00 0.00 0.00 175.76 175.07 3i1m s ILE 24 N 2.71 5.32 0.62 0.00 1.01 0.15 -2.58 121.20 128.42 3i1m s ILE 24 Ca 0.21 -1.97 -0.10 0.00 0.00 0.00 0.00 60.65 58.79 3i1m s ILE 24 Cb -0.15 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.93 3i1m s ILE 24 CO 0.18 -0.94 1.01 -1.61 0.00 0.00 0.00 174.94 173.59 3i1m s GLU 25 N 0.93 3.50 -0.17 2.79 0.41 -1.26 -2.11 118.70 122.79 3i1m s GLU 25 Ca 0.10 0.65 -0.32 0.00 -0.41 0.00 0.00 54.97 54.99 3i1m s GLU 25 Cb -0.21 -2.10 0.14 0.00 -1.78 0.00 0.00 34.13 30.17 3i1m s GLU 25 CO -0.02 -0.59 1.14 -0.98 -0.49 0.00 0.00 175.26 174.32 3i1m s ARG 26 N -5.15 0.41 -0.04 1.61 1.70 -1.26 -4.99 118.95 111.22 3i1m s ARG 26 Ca 0.55 -0.08 -0.01 0.00 -0.47 0.00 0.00 55.73 55.71 3i1m s ARG 26 Cb -0.11 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 3i1m s ARG 26 CO 0.53 -0.16 0.05 -0.06 -1.08 0.00 0.00 175.30 174.58 3i1m s PHE 27 N -2.12 3.26 0.04 5.89 0.08 -1.26 -1.30 117.98 122.57 3i1m s PHE 27 Ca 0.07 0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.39 3i1m s PHE 27 Cb -0.01 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 3i1m s PHE 27 CO -0.05 0.54 -0.13 0.14 -0.10 0.00 0.00 175.22 175.62 3i1m s VAL 28 N -1.07 1.01 -0.20 -0.44 -7.23 -0.14 -4.94 120.40 107.39 3i1m s VAL 28 Ca 0.19 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.10 3i1m s VAL 28 Cb -0.12 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 3i1m s VAL 28 CO 0.09 -0.03 1.29 -0.75 -0.31 0.00 0.00 175.10 175.39 3i1m s LYS 29 N -1.13 4.14 0.17 4.82 2.36 -1.26 -0.88 119.74 127.96 3i1m s LYS 29 Ca 0.00 1.57 -0.34 0.00 -2.55 0.00 0.00 55.97 54.66 3i1m s LYS 29 Cb -0.08 -3.80 -0.15 0.00 -1.05 0.00 0.00 37.83 32.75 3i1m s LYS 29 CO 0.01 -0.82 1.40 1.58 1.55 0.00 0.00 175.35 179.07 3i1m n HIS 30 N 6.91 1.91 0.32 4.03 -0.00 0.33 -4.86 115.22 123.87 3i1m n HIS 30 Ca 0.14 0.47 0.21 0.00 -0.00 0.00 0.00 57.72 58.54 3i1m n HIS 30 Cb 0.45 -2.43 1.09 0.00 -0.00 0.00 0.00 29.99 29.10 3i1m n HIS 30 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i1m h PRO 31 N 4.69 0.00 0.00 1.57 0.11 -1.93 -1.19 132.00 135.25 3i1m h PRO 31 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3i1m h PRO 31 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3i1m h PRO 31 CO 0.79 0.00 -0.61 -0.89 -0.21 0.00 0.00 178.00 177.08 3i1m n ILE 32 N -3.03 0.96 0.14 4.15 -0.00 -1.26 -4.75 119.36 115.57 3i1m n ILE 32 Ca -0.02 0.20 0.07 0.00 -0.00 0.00 0.00 62.75 63.00 3i1m n ILE 32 Cb 0.11 -1.69 0.24 0.00 -0.00 0.00 0.00 39.64 38.31 3i1m n ILE 32 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3i1m n TYR 33 N -3.55 0.94 -2.37 1.39 4.02 -1.26 -4.94 117.16 111.39 3i1m n TYR 33 Ca -0.06 -0.40 -0.02 0.00 -0.01 0.00 0.00 57.90 57.41 3i1m n TYR 33 Cb 0.28 -0.13 -0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3i1m n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1m n GLY 34 N 1.02 -0.43 3.87 2.72 0.00 -0.45 -4.88 105.19 107.04 3i1m n GLY 34 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3i1m n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1m s LYS 35 N -4.50 3.83 -0.30 1.61 2.20 -1.26 -4.56 119.74 116.76 3i1m s LYS 35 Ca 0.05 0.48 -0.15 0.00 -0.36 0.00 0.00 55.97 55.99 3i1m s LYS 35 Cb -0.03 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.83 3i1m s LYS 35 CO 0.06 0.05 0.36 -0.06 -0.36 0.00 0.00 175.35 175.40 3i1m s PHE 36 N -2.22 3.23 0.28 4.03 0.08 -1.26 0.12 117.98 122.25 3i1m s PHE 36 Ca 0.51 0.24 0.09 0.00 0.12 0.00 0.00 56.93 57.89 3i1m s PHE 36 Cb -0.10 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 3i1m s PHE 36 CO 0.27 -0.30 0.06 0.42 -0.10 0.00 0.00 175.22 175.57 3i1m s ILE 37 N 2.05 3.49 0.35 0.64 1.09 -0.06 -4.84 121.20 123.92 3i1m s ILE 37 Ca 0.14 -1.78 -0.25 0.00 -1.10 0.00 0.00 60.65 57.66 3i1m s ILE 37 Cb -0.16 -2.96 -0.10 0.00 -1.06 0.00 0.00 42.46 38.18 3i1m s ILE 37 CO 0.11 -0.32 0.95 -0.54 -0.10 0.00 0.00 174.94 175.04 3i1m s LYS 38 N -3.74 4.47 -0.41 2.79 1.02 -1.26 -0.97 119.74 121.64 3i1m s LYS 38 Ca 0.33 1.30 0.05 0.00 0.02 0.00 0.00 55.97 57.67 3i1m s LYS 38 Cb -0.06 -2.64 0.19 0.00 -0.52 0.00 0.00 37.83 34.81 3i1m s LYS 38 CO 0.21 0.18 0.41 -2.13 -0.92 0.00 0.00 175.35 173.10 3i1m n ARG 39 N 0.24 0.35 -1.57 1.68 3.00 -0.42 -4.92 116.66 115.04 3i1m n ARG 39 Ca 0.03 -3.13 -0.37 0.00 -0.00 0.00 0.00 57.85 54.39 3i1m n ARG 39 Cb 0.51 -1.53 0.07 0.00 0.00 0.00 0.00 32.46 31.51 3i1m n ARG 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3i1m n THR 40 N 2.41 3.87 -3.73 5.15 -1.04 -1.26 -4.35 114.28 115.33 3i1m n THR 40 Ca 0.27 -0.45 -0.21 0.00 -2.04 0.00 0.00 64.05 61.61 3i1m n THR 40 Cb 0.50 -1.25 -0.18 0.00 -1.82 0.00 0.00 70.33 67.58 3i1m n THR 40 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3i1m s THR 41 N -1.58 0.12 -0.07 12.58 2.01 -0.90 -4.96 115.64 122.85 3i1m s THR 41 Ca 0.78 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 3i1m s THR 41 Cb -0.38 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3i1m s THR 41 CO 0.45 0.21 0.04 -0.54 -0.69 0.00 0.00 174.62 174.10 3i1m s LYS 42 N 2.00 3.06 -0.04 4.92 1.02 -1.26 0.30 119.74 129.75 3i1m s LYS 42 Ca 0.04 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.64 3i1m s LYS 42 Cb -0.12 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3i1m s LYS 42 CO -0.04 0.70 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.57 3i1m s LEU 43 N -1.16 1.10 -0.21 3.17 1.43 -0.49 -4.93 118.68 117.60 3i1m s LEU 43 Ca 0.16 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 3i1m s LEU 43 Cb -0.12 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 3i1m s LEU 43 CO 0.06 -0.10 1.33 -1.00 0.23 0.00 0.00 176.35 176.87 3i1m s HIS 44 N 1.17 2.67 0.02 0.29 3.76 -1.26 -0.66 115.29 121.27 3i1m s HIS 44 Ca -0.08 0.87 0.07 0.00 -0.15 0.00 0.00 55.06 55.78 3i1m s HIS 44 Cb -0.14 -3.70 -0.03 0.00 1.11 0.00 0.00 32.58 29.83 3i1m s HIS 44 CO -0.02 -1.96 -0.22 0.08 -0.85 0.00 0.00 174.74 171.78 3i1m s VAL 45 N 3.97 2.47 0.26 -0.90 1.01 0.03 -3.99 120.40 123.26 3i1m s VAL 45 Ca 0.58 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3i1m s VAL 45 Cb -0.21 -1.97 -0.11 0.00 0.00 0.00 0.00 36.38 34.09 3i1m s VAL 45 CO 0.20 0.43 1.53 -2.28 0.00 0.00 0.00 175.10 174.98 3i1m s HIS 46 N -0.80 2.89 -0.38 5.22 2.46 0.39 -3.95 115.29 121.13 3i1m s HIS 46 Ca 0.12 0.86 0.06 0.00 0.47 0.00 0.00 55.06 56.57 3i1m s HIS 46 Cb -0.10 -3.96 0.44 0.00 -0.13 0.00 0.00 32.58 28.83 3i1m s HIS 46 CO 0.02 -3.22 1.22 -0.25 -2.47 0.00 0.00 174.74 170.04 3i1m n ASP 47 N 2.42 5.03 -4.30 9.88 8.00 -1.26 -3.48 116.55 132.85 3i1m n ASP 47 Ca 0.08 -3.74 -0.36 0.00 0.71 0.00 0.00 54.79 51.48 3i1m n ASP 47 Cb 0.39 -0.43 0.06 0.00 -0.02 0.00 0.00 41.12 41.12 3i1m n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i1m n GLU 48 N -0.62 0.04 -3.36 -1.24 4.07 -1.26 -2.44 120.64 115.83 3i1m n GLU 48 Ca 0.43 0.04 -0.01 0.00 -0.06 0.00 0.00 57.16 57.56 3i1m n GLU 48 Cb 0.81 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 3i1m n GLU 48 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3i1m n ASN 49 N 0.91 -0.15 -3.12 4.31 2.04 -1.26 -2.21 115.26 115.79 3i1m n ASN 49 Ca 0.06 -0.04 0.00 0.00 -0.44 0.00 0.00 54.58 54.16 3i1m n ASN 49 Cb 0.52 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.72 3i1m n ASN 49 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3i1m n ASN 50 N 0.69 0.00 -4.88 0.53 6.94 -1.02 -4.82 115.26 112.69 3i1m n ASN 50 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.26 3i1m n ASN 50 Cb 0.02 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 3i1m n ASN 50 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3i1m s GLU 51 N -4.01 3.69 0.31 -3.83 1.03 -0.94 -4.98 118.70 109.98 3i1m s GLU 51 Ca 0.00 0.42 0.00 0.00 0.03 0.00 0.00 54.97 55.42 3i1m s GLU 51 Cb 0.00 -2.35 0.00 0.00 -0.80 0.00 0.00 34.13 30.98 3i1m s GLU 51 CO 0.00 -0.14 0.00 0.00 -1.33 0.00 0.00 175.26 173.79 3i1m s GLY 53 N -5.09 2.28 -0.38 0.00 0.00 -1.26 -4.83 107.32 98.04 3i1m s GLY 53 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 44.72 42.67 3i1m s GLY 53 CO 0.00 -1.67 1.81 4.51 0.00 0.00 0.00 173.10 177.75 3i1m n ILE 54 N -0.71 0.16 0.00 0.90 3.06 -1.26 -0.75 119.36 120.77 3i1m n ILE 54 Ca -0.01 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 3i1m n ILE 54 Cb 0.65 -0.96 0.00 0.00 0.54 0.00 0.00 39.64 39.86 3i1m n ILE 54 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i1m n GLY 55 N 4.87 1.26 3.66 4.50 0.00 -1.26 -4.88 105.19 113.35 3i1m n GLY 55 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3i1m n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1m s ASP 56 N -1.74 6.65 -1.07 1.61 -0.00 0.08 -4.65 116.67 117.54 3i1m s ASP 56 Ca 0.00 2.28 -0.22 0.00 -0.00 0.00 0.00 52.55 54.60 3i1m s ASP 56 Cb 0.00 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.42 3i1m s ASP 56 CO 0.00 -0.93 1.61 -0.69 -0.00 0.00 0.00 175.17 175.15 3i1m s VAL 57 N 4.05 3.88 0.35 -1.27 1.01 -0.15 -4.01 120.40 124.25 3i1m s VAL 57 Ca 0.75 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3i1m s VAL 57 Cb -0.34 -4.92 -0.01 0.00 0.00 0.00 0.00 36.38 31.11 3i1m s VAL 57 CO 0.31 -1.77 0.50 0.54 0.00 0.00 0.00 175.10 174.68 3i1m s VAL 58 N 5.85 4.25 0.06 2.92 0.11 -1.13 -1.43 120.40 131.03 3i1m s VAL 58 Ca 0.52 -0.87 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 3i1m s VAL 58 Cb -0.00 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 3i1m s VAL 58 CO -0.04 -0.23 -0.09 -0.70 -3.33 0.00 0.00 175.10 170.71 3i1m s GLU 59 N -4.24 2.31 0.03 1.54 2.12 -1.13 -3.99 118.70 115.34 3i1m s GLU 59 Ca 0.44 -0.90 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 3i1m s GLU 59 Cb -0.10 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 3i1m s GLU 59 CO 0.32 0.55 -0.03 0.42 -0.54 0.00 0.00 175.26 175.98 3i1m s ILE 60 N -1.11 0.16 0.05 -3.70 1.01 -0.53 -0.74 121.20 116.34 3i1m s ILE 60 Ca 0.19 -1.28 0.03 0.00 0.00 0.00 0.00 60.65 59.59 3i1m s ILE 60 Cb -0.11 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 3i1m s ILE 60 CO 0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 174.94 174.26 3i1m s ARG 61 N -2.46 0.59 0.59 2.79 1.70 -0.85 -3.37 118.95 117.94 3i1m s ARG 61 Ca -0.07 -0.83 -0.16 0.00 -0.47 0.00 0.00 55.73 54.21 3i1m s ARG 61 Cb -0.03 -0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 33.97 3i1m s ARG 61 CO -0.05 0.06 1.06 -2.00 -1.08 0.00 0.00 175.30 173.30 3i1m s GLU 62 N -1.78 3.30 0.34 3.89 2.12 -1.26 -2.62 118.70 122.69 3i1m s GLU 62 Ca -0.07 1.24 -0.12 0.00 0.36 0.00 0.00 54.97 56.38 3i1m s GLU 62 Cb -0.09 -2.03 0.05 0.00 0.26 0.00 0.00 34.13 32.32 3i1m s GLU 62 CO 0.00 -0.83 0.67 0.00 -0.54 0.00 0.00 175.26 174.56 3i1m n ARG 64 N -0.47 0.98 -1.74 0.00 0.00 -1.26 -4.70 116.66 109.47 3i1m n ARG 64 Ca -0.07 0.37 -0.42 0.00 -0.00 0.00 0.00 57.85 57.74 3i1m n ARG 64 Cb 0.52 -2.10 -0.02 0.00 -0.00 0.00 0.00 32.46 30.86 3i1m n ARG 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3i1m n PRO 65 N -0.65 2.76 -0.01 2.89 -0.02 -1.26 -4.65 135.00 134.06 3i1m n PRO 65 Ca 0.12 0.99 0.01 0.00 -2.02 0.00 0.00 63.50 62.60 3i1m n PRO 65 Cb 0.45 -2.79 0.01 0.00 -0.02 0.00 0.00 33.50 31.16 3i1m n PRO 65 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i1m n LEU 66 N 2.62 1.68 0.00 2.45 4.77 0.11 -5.01 117.00 123.62 3i1m n LEU 66 Ca 0.10 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 3i1m n LEU 66 Cb 0.37 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3i1m n LEU 66 CO 0.64 0.41 0.00 -1.54 -1.33 0.00 0.00 177.39 175.57 3i1m n SER 67 N -0.17 0.00 -4.58 -1.43 3.41 -1.24 -4.98 113.62 104.64 3i1m n SER 67 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 3i1m n SER 67 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3i1m n SER 67 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i1m s LYS 68 N -0.96 2.96 -0.31 4.33 2.20 -1.26 -4.00 119.74 122.70 3i1m s LYS 68 Ca 0.00 1.20 -0.03 0.00 -0.36 0.00 0.00 55.97 56.78 3i1m s LYS 68 Cb 0.00 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 3i1m s LYS 68 CO 0.00 -2.31 0.12 2.41 -0.36 0.00 0.00 175.35 175.21 3i1m n THR 69 N 7.44-11.32 0.00 3.43 -1.04 -1.26 -5.05 114.28 106.49 3i1m n THR 69 Ca 0.24 1.56 0.00 0.00 -2.04 0.00 0.00 64.05 63.81 3i1m n THR 69 Cb 0.49 -6.85 0.00 0.00 -1.82 0.00 0.00 70.33 62.15 3i1m n THR 69 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i1m n LYS 70 N 0.46 0.00 -2.59 -2.82 4.81 -1.26 -4.80 118.16 111.96 3i1m n LYS 70 Ca 0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 3i1m n LYS 70 Cb 0.09 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.17 3i1m n LYS 70 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i1m n SER 71 N 0.00 2.55 -3.47 3.14 7.64 -1.26 -0.72 113.62 121.51 3i1m n SER 71 Ca 0.00 -2.76 -0.19 0.00 1.01 0.00 0.00 58.87 56.93 3i1m n SER 71 Cb 0.00 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 3i1m n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3i1m s TRP 72 N -3.53 -0.27 0.46 1.43 0.52 -1.26 -1.36 118.94 114.93 3i1m s TRP 72 Ca 0.34 -0.01 -0.20 0.00 0.02 0.00 0.00 56.10 56.24 3i1m s TRP 72 Cb 0.39 -0.45 -0.10 0.00 -1.15 0.00 0.00 33.47 32.16 3i1m s TRP 72 CO -0.02 -0.73 0.99 0.99 0.02 0.00 0.00 176.95 178.20 3i1m s THR 73 N 2.31 4.15 0.72 2.01 2.01 -1.08 0.15 115.64 125.92 3i1m s THR 73 Ca 0.08 1.32 -0.06 0.00 0.31 0.00 0.00 61.69 63.33 3i1m s THR 73 Cb -0.15 -3.54 0.08 0.00 0.01 0.00 0.00 72.50 68.90 3i1m s THR 73 CO -0.21 -0.31 1.03 -1.48 -0.69 0.00 0.00 174.62 172.96 3i1m s LEU 74 N -3.37 2.86 0.00 4.42 -0.00 -1.23 -2.02 118.68 119.35 3i1m s LEU 74 Ca 0.64 0.30 0.00 0.00 -0.00 0.00 0.00 54.13 55.06 3i1m s LEU 74 Cb -0.12 -2.85 0.00 0.00 -0.00 0.00 0.00 46.19 43.22 3i1m s LEU 74 CO 0.17 -1.73 0.00 0.52 -0.00 0.00 0.00 176.35 175.31 3i1m n VAL 75 N -2.96 0.00 -0.34 1.48 0.31 0.08 -4.78 118.33 112.12 3i1m n VAL 75 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.13 3i1m n VAL 75 Cb 0.60 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.81 3i1m n VAL 75 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1m n ARG 76 N 0.00 -4.54 -3.76 5.55 0.63 -1.26 -4.85 116.66 108.42 3i1m n ARG 76 Ca 0.00 -1.45 -0.13 0.00 -0.92 0.00 0.00 57.85 55.35 3i1m n ARG 76 Cb 0.00 -1.79 -0.09 0.00 0.45 0.00 0.00 32.46 31.03 3i1m n ARG 76 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3i1m s VAL 77 N -2.19 0.05 -0.04 5.15 1.01 -1.26 -2.82 120.40 120.30 3i1m s VAL 77 Ca 0.65 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3i1m s VAL 77 Cb -0.11 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.72 3i1m s VAL 77 CO 0.54 -0.23 0.08 -0.69 0.00 0.00 0.00 175.10 174.80 3i1m s VAL 78 N -1.11 -0.09 0.31 2.92 1.01 -0.51 -4.95 120.40 117.98 3i1m s VAL 78 Ca -0.12 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3i1m s VAL 78 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.17 3i1m s VAL 78 CO 0.04 0.11 0.00 -0.62 0.00 0.00 0.00 175.10 174.63 3i1m n GLU 79 N 4.57 -1.80 0.00 2.72 1.02 -1.26 -0.98 120.64 124.91 3i1m n GLU 79 Ca -0.20 1.42 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 3i1m n GLU 79 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3i1m n GLU 79 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i1m n LYS 80 N -3.38 2.70 -2.83 3.49 4.01 -1.26 -4.08 118.16 116.81 3i1m n LYS 80 Ca -0.04 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.34 3i1m n LYS 80 Cb 0.38 -0.23 -0.04 0.00 -0.51 0.00 0.00 35.03 34.63 3i1m n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1m s ALA 81 N -0.04 3.60 0.00 7.82 0.00 -1.26 -4.76 121.76 127.12 3i1m s ALA 81 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3i1m s ALA 81 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3i1m s ALA 81 CO 0.00 -1.11 0.19 1.55 0.00 0.00 0.00 175.76 176.39