#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g s SER 2 N 0.00 3.77 -0.14 1.61 0.01 -1.26 -5.09 113.70 112.60 1j0g s SER 2 Ca 0.00 -3.18 -0.29 0.00 1.31 0.00 0.00 55.95 53.79 1j0g s SER 2 Cb 0.00 -1.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1j0g s SER 2 CO 0.00 -0.18 1.03 -0.70 0.41 0.00 0.00 173.24 173.80 1j0g s GLU 3 N -0.41 4.37 -0.19 12.44 -6.30 -1.26 -5.01 118.70 122.34 1j0g s GLU 3 Ca 0.23 1.40 -0.07 0.00 -2.50 0.00 0.00 54.97 54.02 1j0g s GLU 3 Cb -0.13 -3.58 0.08 0.00 0.00 0.00 0.00 34.13 30.51 1j0g s GLU 3 CO -0.09 -0.42 0.42 0.20 0.02 0.00 0.00 175.26 175.39 1j0g s GLY 4 N 1.16 -0.35 -0.06 -1.50 0.00 -1.26 -5.06 107.32 100.25 1j0g s GLY 4 Ca 0.48 1.51 -0.06 0.00 0.00 0.00 0.00 44.72 46.64 1j0g s GLY 4 CO 0.15 2.28 0.29 0.00 0.00 0.00 0.00 173.10 175.82 1j0g h ALA 5 N 7.99 -0.26 -2.90 3.20 0.00 -2.09 -3.43 119.26 121.77 1j0g h ALA 5 Ca -0.19 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 54.09 1j0g h ALA 5 Cb 1.12 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 1j0g h ALA 5 CO 0.15 -0.24 -0.78 0.00 0.00 0.00 0.00 179.25 178.38 1j0g s ALA 6 N -3.19 1.30 -0.41 0.00 0.00 -1.26 -5.04 121.76 113.17 1j0g s ALA 6 Ca -0.03 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.20 1j0g s ALA 6 Cb 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 23.12 21.67 1j0g s ALA 6 CO 0.10 -1.85 0.47 0.99 0.00 0.00 0.00 175.76 175.47 1j0g s THR 7 N 1.34 -0.44 -0.38 0.00 2.01 -1.26 -5.11 115.64 111.80 1j0g s THR 7 Ca 0.13 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 1j0g s THR 7 Cb -0.20 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1j0g s THR 7 CO -0.16 -0.50 0.55 -0.04 -0.69 0.00 0.00 174.62 173.78 1j0g s MET 8 N 1.17 3.50 -0.31 4.92 -1.94 -1.26 -4.94 119.30 120.44 1j0g s MET 8 Ca 0.22 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.84 1j0g s MET 8 Cb -0.08 -3.86 0.19 0.00 2.01 0.00 0.00 34.83 33.09 1j0g s MET 8 CO -0.06 -0.76 1.09 0.45 -0.01 0.00 0.00 175.02 175.73 1j0g s SER 9 N 1.83 -0.24 0.22 3.03 0.15 -1.26 -5.14 113.70 112.28 1j0g s SER 9 Ca 0.20 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1j0g s SER 9 Cb -0.15 0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 1j0g s SER 9 CO 0.15 -0.04 -0.01 -0.54 1.20 0.00 0.00 173.24 174.00 1j0g s LYS 10 N 2.43 1.30 -0.02 5.44 1.02 -1.26 -2.91 119.74 125.74 1j0g s LYS 10 Ca 0.22 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1j0g s LYS 10 Cb 0.02 -0.59 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1j0g s LYS 10 CO -0.19 -0.09 0.01 0.14 -0.92 0.00 0.00 175.35 174.30 1j0g s VAL 11 N -3.43 0.11 -0.17 3.17 -7.23 -0.24 -4.85 120.40 107.75 1j0g s VAL 11 Ca 0.27 0.10 -0.14 0.00 -1.81 0.00 0.00 61.98 60.41 1j0g s VAL 11 Cb 0.05 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.75 1j0g s VAL 11 CO 0.08 0.12 0.28 -0.94 -0.31 0.00 0.00 175.10 174.33 1j0g s SER 12 N 0.91 6.40 -0.37 4.85 1.04 -1.26 -2.91 113.70 122.36 1j0g s SER 12 Ca -0.09 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.69 1j0g s SER 12 Cb -0.12 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.84 1j0g s SER 12 CO -0.02 0.09 0.22 -0.36 0.98 0.00 0.00 173.24 174.15 1j0g s PHE 13 N 0.55 3.24 -0.79 5.02 0.08 -0.89 -4.80 117.98 120.38 1j0g s PHE 13 Ca 0.16 -0.79 -0.21 0.00 0.12 0.00 0.00 56.93 56.20 1j0g s PHE 13 Cb -0.13 -2.47 0.09 0.00 -0.57 0.00 0.00 43.02 39.94 1j0g s PHE 13 CO 0.04 -0.60 1.07 0.21 -0.10 0.00 0.00 175.22 175.84 1j0g s LYS 14 N 1.60 3.33 0.17 0.44 2.20 -0.18 -3.17 119.74 124.13 1j0g s LYS 14 Ca 0.03 -1.19 0.08 0.00 -0.36 0.00 0.00 55.97 54.53 1j0g s LYS 14 Cb -0.19 -4.58 -0.04 0.00 -1.51 0.00 0.00 37.83 31.51 1j0g s LYS 14 CO 0.08 -1.84 -0.16 0.42 -0.36 0.00 0.00 175.35 173.49 1j0g s ILE 15 N 3.66 1.66 -0.05 5.43 1.01 -1.25 -2.82 121.20 128.85 1j0g s ILE 15 Ca 0.28 -1.98 0.03 0.00 0.00 0.00 0.00 60.65 58.98 1j0g s ILE 15 Cb -0.11 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1j0g s ILE 15 CO 0.01 -0.45 -0.11 -0.89 0.00 0.00 0.00 174.94 173.51 1j0g s THR 16 N -2.42 0.99 -0.74 2.92 2.01 -1.26 -2.80 115.64 114.35 1j0g s THR 16 Ca 0.16 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 1j0g s THR 16 Cb -0.04 -0.90 -0.15 0.00 0.01 0.00 0.00 72.50 71.42 1j0g s THR 16 CO 0.06 0.31 2.50 -0.11 -0.69 0.00 0.00 174.62 176.69 1j0g n LEU 17 N 3.57 1.26 -4.24 4.42 7.94 -0.94 -3.79 117.00 125.21 1j0g n LEU 17 Ca -0.21 -0.36 -0.43 0.00 -1.11 0.00 0.00 56.01 53.90 1j0g n LEU 17 Cb 0.53 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1j0g n LEU 17 CO 0.25 -1.36 2.07 0.41 -1.11 0.00 0.00 177.39 177.65 1j0g n THR 18 N 7.72 3.91 0.06 1.96 -1.04 -0.85 -3.73 114.28 122.31 1j0g n THR 18 Ca 0.51 -3.95 0.00 0.00 -2.04 0.00 0.00 64.05 58.57 1j0g n THR 18 Cb 0.32 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 1j0g n THR 18 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1j0g n SER 19 N 6.77 -1.00 -4.72 8.00 3.41 -1.26 -4.46 113.62 120.35 1j0g n SER 19 Ca 0.47 0.35 -0.30 0.00 -0.26 0.00 0.00 58.87 59.13 1j0g n SER 19 Cb 0.42 1.17 0.14 0.00 -0.26 0.00 0.00 64.21 65.68 1j0g n SER 19 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1j0g s ASP 20 N -2.00 3.48 -0.07 4.04 1.11 -1.24 -5.00 116.67 116.98 1j0g s ASP 20 Ca 0.00 1.43 -0.19 0.00 0.18 0.00 0.00 52.55 53.97 1j0g s ASP 20 Cb 0.00 -2.11 -0.15 0.00 1.07 0.00 0.00 42.92 41.73 1j0g s ASP 20 CO 0.00 -2.63 0.73 1.55 1.18 0.00 0.00 175.17 176.00 1j0g h PRO 21 N -1.54 -0.15 -0.92 8.23 0.13 -2.01 -3.28 132.00 132.45 1j0g h PRO 21 Ca -0.50 0.01 0.25 0.00 -0.87 0.00 0.00 66.00 64.89 1j0g h PRO 21 Cb 1.29 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1j0g h PRO 21 CO 0.55 0.31 0.40 0.00 -0.23 0.00 0.00 178.00 179.03 1j0g h ARG 22 N -0.91 0.33 -5.53 0.86 3.08 -1.95 -3.46 114.38 106.81 1j0g h ARG 22 Ca -0.02 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1j0g h ARG 22 Cb 0.53 -0.07 0.10 0.00 0.08 0.00 0.00 29.97 30.60 1j0g h ARG 22 CO 0.03 0.22 -0.52 -0.11 -1.07 0.00 0.00 179.97 178.52 1j0g n LEU 23 N -5.09 -5.76 -4.81 3.04 7.94 -1.24 -4.96 117.00 106.12 1j0g n LEU 23 Ca 0.24 -0.48 -0.33 0.00 -1.11 0.00 0.00 56.01 54.34 1j0g n LEU 23 Cb 0.74 -3.13 0.01 0.00 0.53 0.00 0.00 43.42 41.56 1j0g n LEU 23 CO 0.10 -0.37 0.71 -2.16 -1.11 0.00 0.00 177.39 174.56 1j0g s PRO 24 N -3.96 3.38 0.17 1.96 0.04 -1.26 -4.77 135.00 130.56 1j0g s PRO 24 Ca 0.25 1.16 0.11 0.00 0.04 0.00 0.00 61.00 62.56 1j0g s PRO 24 Cb -0.04 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1j0g s PRO 24 CO 0.76 -0.75 -0.23 1.52 0.04 0.00 0.00 177.00 178.34 1j0g s TYR 25 N -2.50 2.36 -0.27 0.56 1.13 -1.26 -2.22 117.35 115.15 1j0g s TYR 25 Ca 0.63 -0.34 -0.15 0.00 -1.41 0.00 0.00 57.07 55.80 1j0g s TYR 25 Cb -0.15 -1.21 0.08 0.00 -1.10 0.00 0.00 41.96 39.58 1j0g s TYR 25 CO 0.37 0.44 0.67 -1.59 -2.51 0.00 0.00 175.55 172.93 1j0g s LYS 26 N -2.46 0.68 -0.20 -3.49 0.00 -1.12 -5.04 119.74 108.10 1j0g s LYS 26 Ca 0.19 1.22 -0.15 0.00 0.00 0.00 0.00 55.97 57.23 1j0g s LYS 26 Cb -0.09 0.19 -0.04 0.00 0.00 0.00 0.00 37.83 37.89 1j0g s LYS 26 CO 0.09 -0.15 0.37 0.14 0.00 0.00 0.00 175.35 175.80 1j0g s VAL 27 N 1.73 5.22 -0.20 1.79 -7.23 -1.26 -3.92 120.40 116.53 1j0g s VAL 27 Ca -0.10 0.66 -0.09 0.00 -1.81 0.00 0.00 61.98 60.64 1j0g s VAL 27 Cb -0.06 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 1j0g s VAL 27 CO -0.19 0.26 0.09 -0.22 -0.31 0.00 0.00 175.10 174.73 1j0g s LEU 28 N 1.26 3.95 -0.27 1.32 2.96 -1.19 -4.84 118.68 121.87 1j0g s LEU 28 Ca 0.18 0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 54.11 1j0g s LEU 28 Cb -0.15 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1j0g s LEU 28 CO 0.08 0.15 0.16 -0.94 -1.32 0.00 0.00 176.35 174.47 1j0g s SER 29 N 0.50 5.74 0.06 3.68 1.04 -1.26 -2.11 113.70 121.36 1j0g s SER 29 Ca 0.05 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 1j0g s SER 29 Cb -0.12 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 1j0g s SER 29 CO 0.00 -0.06 0.01 0.68 0.98 0.00 0.00 173.24 174.85 1j0g s VAL 30 N 1.71 0.20 0.09 5.02 -7.23 -1.15 -4.95 120.40 114.10 1j0g s VAL 30 Ca 0.07 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 1j0g s VAL 30 Cb -0.16 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1j0g s VAL 30 CO 0.09 -0.92 1.15 -2.16 -0.31 0.00 0.00 175.10 172.95 1j0g s PRO 31 N -3.92 4.48 0.19 4.82 0.04 -1.26 -1.08 135.00 138.28 1j0g s PRO 31 Ca 0.07 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1j0g s PRO 31 Cb 0.08 -3.34 0.11 0.00 0.04 0.00 0.00 34.50 31.39 1j0g s PRO 31 CO -0.10 -0.15 1.56 0.93 0.04 0.00 0.00 177.00 179.28 1j0g h GLU 32 N 6.34 -0.08 -0.88 4.56 5.08 -1.86 0.14 114.58 127.88 1j0g h GLU 32 Ca -0.42 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1j0g h GLU 32 Cb 1.21 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1j0g h GLU 32 CO 0.78 -0.05 -0.41 -1.13 -1.00 0.00 0.00 179.01 177.20 1j0g n SER 33 N -5.41 -0.70 -4.55 1.42 3.41 -1.26 -1.89 113.62 104.64 1j0g n SER 33 Ca 0.06 1.55 -0.41 0.00 -0.26 0.00 0.00 58.87 59.80 1j0g n SER 33 Cb 0.35 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1j0g n SER 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1j0g n THR 34 N -5.23 2.27 -1.56 6.66 -1.04 0.50 -4.22 114.28 111.66 1j0g n THR 34 Ca 0.06 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.27 1j0g n THR 34 Cb 0.31 -0.91 0.06 0.00 -1.82 0.00 0.00 70.33 67.97 1j0g n THR 34 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j0g s PRO 35 N -1.88 2.66 0.19 -2.82 0.04 -1.26 0.13 135.00 132.06 1j0g s PRO 35 Ca 0.64 0.85 0.26 0.00 0.04 0.00 0.00 61.00 62.79 1j0g s PRO 35 Cb -0.57 -1.97 0.86 0.00 0.04 0.00 0.00 34.50 32.86 1j0g s PRO 35 CO 0.57 -1.27 1.78 0.34 0.04 0.00 0.00 177.00 178.46 1j0g n PHE 36 N -3.23 0.84 0.17 0.56 -0.00 -1.26 -3.18 117.46 111.36 1j0g n PHE 36 Ca 0.07 0.25 0.02 0.00 -0.00 0.00 0.00 57.45 57.80 1j0g n PHE 36 Cb 0.54 -0.91 0.37 0.00 -0.00 0.00 0.00 39.48 39.49 1j0g n PHE 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1j0g h THR 37 N 0.00 1.24 0.00 -2.13 1.03 -1.90 -1.96 112.91 109.18 1j0g h THR 37 Ca 0.00 -1.13 -0.13 0.00 -0.01 0.00 0.00 66.41 65.14 1j0g h THR 37 Cb 0.69 1.56 -0.02 0.00 -1.07 0.00 0.00 68.15 69.31 1j0g h THR 37 CO 0.00 0.33 -0.64 0.00 -0.01 0.00 0.00 175.52 175.20 1j0g h ALA 38 N 1.63 0.90 -0.78 0.00 0.00 -1.95 -3.02 119.26 116.04 1j0g h ALA 38 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1j0g h ALA 38 Cb 0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1j0g h ALA 38 CO 0.04 0.79 0.49 0.28 0.00 0.00 0.00 179.25 180.86 1j0g h VAL 39 N 0.00 1.21 0.13 0.00 2.07 -1.49 -1.85 116.25 116.32 1j0g h VAL 39 Ca -0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1j0g h VAL 39 Cb 1.16 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1j0g h VAL 39 CO 0.08 0.21 -0.31 0.25 0.02 0.00 0.00 177.57 177.83 1j0g h LEU 40 N 1.06 -0.90 -0.43 2.57 6.46 -1.41 0.74 115.31 123.38 1j0g h LEU 40 Ca 0.28 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.18 1j0g h LEU 40 Cb -0.08 0.33 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 1j0g h LEU 40 CO -0.06 -0.34 -0.49 0.11 -0.62 0.00 0.00 178.44 177.04 1j0g h LYS 41 N -0.48 -0.28 -0.23 1.25 1.57 -1.57 0.48 116.57 117.30 1j0g h LYS 41 Ca -0.01 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1j0g h LYS 41 Cb 0.46 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 1j0g h LYS 41 CO -0.14 -0.19 -0.52 0.35 -0.57 0.00 0.00 179.45 178.39 1j0g h PHE 42 N -0.29 -1.56 -0.46 -1.35 3.04 -1.05 0.21 116.94 115.48 1j0g h PHE 42 Ca 0.07 0.07 0.07 0.00 3.98 0.00 0.00 57.97 62.16 1j0g h PHE 42 Cb 0.49 0.71 -0.09 0.00 2.56 0.00 0.00 35.95 39.62 1j0g h PHE 42 CO -0.76 -0.49 -0.44 0.00 -2.02 0.00 0.00 178.31 174.60 1j0g h ALA 43 N -0.27 -0.41 -0.05 2.41 0.00 0.14 0.18 119.26 121.25 1j0g h ALA 43 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1j0g h ALA 43 Cb 0.61 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1j0g h ALA 43 CO -0.47 -0.86 -0.06 0.00 0.00 0.00 0.00 179.25 177.86 1j0g h ALA 44 N 0.46 -0.28 -0.94 0.00 0.00 0.86 0.11 119.26 119.48 1j0g h ALA 44 Ca 0.15 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.31 1j0g h ALA 44 Cb 0.58 0.81 -0.17 0.00 0.00 0.00 0.00 17.79 19.01 1j0g h ALA 44 CO -0.61 -0.31 0.03 0.93 0.00 0.00 0.00 179.25 179.29 1j0g h GLU 45 N -0.03 0.04 -0.72 0.00 5.08 -0.33 1.06 114.58 119.68 1j0g h GLU 45 Ca 0.01 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1j0g h GLU 45 Cb 0.05 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 1j0g h GLU 45 CO -0.07 0.03 0.26 1.49 -1.00 0.00 0.00 179.01 179.72 1j0g h GLU 46 N 0.04 0.38 -0.70 2.33 4.22 0.18 0.71 114.58 121.73 1j0g h GLU 46 Ca 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.97 1j0g h GLU 46 Cb 1.11 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1j0g h GLU 46 CO -0.86 0.25 0.00 1.19 -2.18 0.00 0.00 179.01 177.41 1j0g n PHE 47 N -5.04 0.72 -3.84 0.92 3.72 0.36 -4.89 117.46 109.40 1j0g n PHE 47 Ca 0.13 -0.26 -0.31 0.00 -0.05 0.00 0.00 57.45 56.96 1j0g n PHE 47 Cb 0.40 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 1j0g n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1j0g n LYS 48 N 0.28 -1.94 -4.21 -1.08 4.01 0.25 -4.98 118.16 110.48 1j0g n LYS 48 Ca 0.11 0.39 -0.14 0.00 -0.51 0.00 0.00 58.31 58.15 1j0g n LYS 48 Cb 0.53 -4.10 -0.10 0.00 -0.51 0.00 0.00 35.03 30.85 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1j0g s VAL 49 N -3.68 1.04 0.10 -0.18 -7.23 -0.84 -4.98 120.40 104.64 1j0g s VAL 49 Ca 0.28 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 1j0g s VAL 49 Cb -0.11 -1.58 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 1j0g s VAL 49 CO 0.89 -0.64 1.15 -2.16 -0.31 0.00 0.00 175.10 174.02 1j0g s PRO 50 N -3.22 4.50 -0.25 4.82 0.04 -1.26 -3.58 135.00 136.04 1j0g s PRO 50 Ca 0.10 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1j0g s PRO 50 Cb -0.00 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 31.09 1j0g s PRO 50 CO 0.00 -0.12 3.23 0.00 0.04 0.00 0.00 177.00 180.15 1j0g n ALA 51 N 3.32 6.45 0.00 8.56 0.00 -1.26 -3.62 120.51 133.95 1j0g n ALA 51 Ca 0.06 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1j0g n ALA 51 Cb 0.47 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1j0g n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n ALA 52 N 1.81 3.00 -1.59 0.00 0.00 -1.26 -4.85 120.51 117.61 1j0g n ALA 52 Ca 0.47 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.57 1j0g n ALA 52 Cb 0.73 0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.33 1j0g n ALA 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j0g n THR 53 N -2.65 3.47 -4.09 0.00 -2.24 -1.24 -4.76 114.28 102.76 1j0g n THR 53 Ca 0.00 -3.44 -0.09 0.00 -2.27 0.00 0.00 64.05 58.26 1j0g n THR 53 Cb 0.12 -1.31 -0.10 0.00 -2.10 0.00 0.00 70.33 66.93 1j0g n THR 53 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1j0g s SER 54 N -0.81 0.65 0.09 3.42 0.01 -1.26 -2.11 113.70 113.68 1j0g s SER 54 Ca 0.55 -0.91 -0.26 0.00 1.31 0.00 0.00 55.95 56.64 1j0g s SER 54 Cb 0.42 0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.89 1j0g s SER 54 CO -0.24 -0.50 0.73 0.00 0.41 0.00 0.00 173.24 173.63 1j0g s ALA 55 N -3.35 -1.70 -0.05 1.44 0.00 0.25 -4.35 121.76 114.00 1j0g s ALA 55 Ca 0.04 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.79 1j0g s ALA 55 Cb 0.04 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1j0g s ALA 55 CO -0.07 -0.73 -0.23 0.42 0.00 0.00 0.00 175.76 175.15 1j0g s ILE 56 N -3.45 1.91 0.32 0.00 1.01 -1.26 -0.02 121.20 119.71 1j0g s ILE 56 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1j0g s ILE 56 Cb -0.01 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1j0g s ILE 56 CO -0.11 0.54 0.13 0.27 0.00 0.00 0.00 174.94 175.77 1j0g s ILE 57 N -0.21 0.54 0.00 2.92 -4.36 -0.60 -3.27 121.20 116.22 1j0g s ILE 57 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1j0g s ILE 57 Cb -0.12 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1j0g s ILE 57 CO 0.02 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.55 1j0g n THR 58 N -0.65 0.00 0.25 8.37 -2.24 -1.26 -2.78 114.28 115.96 1j0g n THR 58 Ca -0.01 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1j0g n THR 58 Cb 0.65 -1.27 0.44 0.00 -2.10 0.00 0.00 70.33 68.05 1j0g n THR 58 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1j0g h ASN 59 N 0.00 0.00 -0.33 3.42 2.35 -1.94 -2.62 115.58 116.46 1j0g h ASN 59 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j0g h ASN 59 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1j0g h ASN 59 CO 0.00 0.01 0.00 0.47 -1.65 0.00 0.00 177.43 176.26 1j0g n ASP 60 N -3.10 3.48 -3.90 5.81 9.92 -1.26 -4.98 116.55 122.51 1j0g n ASP 60 Ca 0.02 -2.47 -0.36 0.00 -0.53 0.00 0.00 54.79 51.45 1j0g n ASP 60 Cb 0.42 -0.39 0.02 0.00 -0.64 0.00 0.00 41.12 40.52 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j0g n GLY 61 N 0.11 -0.75 1.06 0.44 0.00 -0.99 -4.84 105.19 100.22 1j0g n GLY 61 Ca 0.17 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.65 1j0g n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0g n ILE 62 N -4.54 0.45 -2.14 -0.61 2.08 -1.26 -4.87 119.36 108.47 1j0g n ILE 62 Ca -0.15 -0.68 0.00 0.00 0.56 0.00 0.00 62.75 62.48 1j0g n ILE 62 Cb 0.60 0.88 0.00 0.00 -0.75 0.00 0.00 39.64 40.38 1j0g n ILE 62 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j0g n GLY 63 N 1.45 -5.18 3.77 7.39 0.00 -1.26 -4.90 105.19 106.45 1j0g n GLY 63 Ca 0.19 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1j0g n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 64 N -0.52 3.55 -0.30 -0.61 1.01 -1.20 -4.92 121.20 118.21 1j0g s ILE 64 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1j0g s ILE 64 Cb 0.00 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 38.80 1j0g s ILE 64 CO 0.00 0.13 -0.02 0.21 0.00 0.00 0.00 174.94 175.26 1j0g s ASN 65 N -1.29 4.72 -0.16 3.58 2.47 -1.26 -4.99 114.94 118.02 1j0g s ASN 65 Ca 0.54 -1.56 -0.05 0.00 0.42 0.00 0.00 52.86 52.21 1j0g s ASN 65 Cb -0.26 -1.64 -0.18 0.00 -1.45 0.00 0.00 41.25 37.71 1j0g s ASN 65 CO 0.33 -0.28 2.80 -0.81 -3.72 0.00 0.00 177.10 175.42 1j0g n PRO 66 N 4.47 1.66 0.09 0.43 -0.04 -1.26 -4.08 135.00 136.28 1j0g n PRO 66 Ca -0.09 -0.88 0.04 0.00 -0.04 0.00 0.00 63.50 62.52 1j0g n PRO 66 Cb 0.42 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 1j0g n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0g h ALA 67 N 4.01 0.66 -4.77 0.55 0.00 -2.01 -3.46 119.26 114.23 1j0g h ALA 67 Ca 0.21 -0.52 -0.40 0.00 0.00 0.00 0.00 54.91 54.20 1j0g h ALA 67 Cb 1.02 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1j0g h ALA 67 CO 0.47 0.60 -0.27 0.00 0.00 0.00 0.00 179.25 180.05 1j0g n GLN 68 N -2.97 1.18 -2.37 0.00 0.00 -1.26 -5.12 117.38 106.83 1j0g n GLN 68 Ca -0.03 -2.29 -0.35 0.00 0.00 0.00 0.00 57.00 54.33 1j0g n GLN 68 Cb 0.74 0.54 -0.02 0.00 0.00 0.00 0.00 30.24 31.50 1j0g n GLN 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1j0g s THR 69 N -2.05 3.40 0.22 -0.39 -4.23 -1.26 -4.27 115.64 107.05 1j0g s THR 69 Ca 0.04 0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 61.33 1j0g s THR 69 Cb -0.00 -3.40 0.25 0.00 1.34 0.00 0.00 72.50 70.69 1j0g s THR 69 CO 0.03 -0.14 1.61 0.00 -0.54 0.00 0.00 174.62 175.57 1j0g h ALA 70 N 1.57 0.37 -0.30 3.99 0.00 0.16 1.70 119.26 126.75 1j0g h ALA 70 Ca -0.50 0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1j0g h ALA 70 Cb 1.24 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1j0g h ALA 70 CO 0.59 -0.46 0.38 0.78 0.00 0.00 0.00 179.25 180.54 1j0g h GLY 71 N -0.03 0.00 0.38 0.00 0.00 -1.52 1.75 103.07 103.64 1j0g h GLY 71 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1j0g h GLY 71 CO -0.70 0.00 -1.60 0.70 0.00 0.00 0.00 176.54 174.94 1j0g n ASN 72 N -3.59 0.34 -0.03 0.19 3.02 0.51 -3.35 115.26 112.34 1j0g n ASN 72 Ca 0.05 0.10 -0.20 0.00 -0.03 0.00 0.00 54.58 54.50 1j0g n ASN 72 Cb 0.53 1.39 -0.13 0.00 -0.61 0.00 0.00 39.78 40.96 1j0g n ASN 72 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1j0g h VAL 73 N 0.00 1.17 0.00 2.41 2.07 0.72 -2.25 116.25 120.37 1j0g h VAL 73 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1j0g h VAL 73 Cb 0.99 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1j0g h VAL 73 CO 0.00 0.59 0.00 2.22 0.02 0.00 0.00 177.57 180.40 1j0g n PHE 74 N -4.20 0.67 -0.10 1.57 -1.74 0.52 -0.33 117.46 113.86 1j0g n PHE 74 Ca -0.23 0.25 -0.23 0.00 -0.56 0.00 0.00 57.45 56.68 1j0g n PHE 74 Cb 0.76 -0.91 -0.12 0.00 1.52 0.00 0.00 39.48 40.74 1j0g n PHE 74 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1j0g n LEU 75 N -2.10 1.97 -0.12 5.98 7.94 -1.21 -0.39 117.00 129.07 1j0g n LEU 75 Ca 0.03 0.38 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 1j0g n LEU 75 Cb 0.25 -0.96 -0.03 0.00 0.53 0.00 0.00 43.42 43.21 1j0g n LEU 75 CO 0.20 0.38 0.77 0.07 -1.11 0.00 0.00 177.39 177.71 1j0g h LYS 76 N -0.87 0.60 0.00 1.96 2.10 -1.32 -3.31 116.57 115.73 1j0g h LYS 76 Ca -0.41 -0.20 -0.16 0.00 -2.00 0.00 0.00 60.65 57.89 1j0g h LYS 76 Cb 1.43 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.69 1j0g h LYS 76 CO -0.21 0.73 -0.88 0.45 -2.00 0.00 0.00 179.45 177.55 1j0g h HIS 77 N 0.41 0.00 0.00 0.07 3.86 -0.88 -3.51 115.15 115.10 1j0g h HIS 77 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1j0g h HIS 77 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1j0g h HIS 77 CO 0.04 1.30 0.00 0.41 0.86 0.00 0.00 177.93 180.53 1j0g n GLY 78 N 1.49 0.81 0.09 2.45 0.00 0.47 -4.89 105.19 105.61 1j0g n GLY 78 Ca -0.25 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.56 1j0g n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j0g n SER 79 N 1.40 0.19 -4.51 1.61 3.41 -1.14 -4.24 113.62 110.33 1j0g n SER 79 Ca 0.00 0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 1j0g n SER 79 Cb 0.00 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 64.78 1j0g n SER 79 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j0g s GLU 80 N -2.64 3.31 0.34 4.33 2.02 -1.26 -1.01 118.70 123.78 1j0g s GLU 80 Ca -0.08 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.60 1j0g s GLU 80 Cb 0.07 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 1j0g s GLU 80 CO 0.84 -1.22 0.35 -0.51 0.02 0.00 0.00 175.26 174.74 1j0g s LEU 81 N 3.27 1.49 0.07 1.80 1.43 -1.13 -4.73 118.68 120.89 1j0g s LEU 81 Ca 0.26 -1.67 0.06 0.00 -1.03 0.00 0.00 54.13 51.75 1j0g s LEU 81 Cb -0.14 0.89 -0.03 0.00 0.03 0.00 0.00 46.19 46.95 1j0g s LEU 81 CO 0.19 -1.16 -0.17 -0.13 0.23 0.00 0.00 176.35 175.31 1j0g s ARG 82 N -3.27 0.99 -0.35 1.70 0.52 -1.12 -3.99 118.95 113.44 1j0g s ARG 82 Ca 0.37 -0.98 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 1j0g s ARG 82 Cb 0.01 -1.10 0.07 0.00 0.52 0.00 0.00 34.95 34.46 1j0g s ARG 82 CO 0.25 0.26 0.09 -1.50 0.02 0.00 0.00 175.30 174.42 1j0g s ILE 83 N -1.10 3.26 0.17 1.52 2.07 -1.25 -1.56 121.20 124.32 1j0g s ILE 83 Ca 0.02 -1.55 0.06 0.00 -1.41 0.00 0.00 60.65 57.77 1j0g s ILE 83 Cb -0.09 -2.99 -0.04 0.00 0.13 0.00 0.00 42.46 39.46 1j0g s ILE 83 CO 0.03 -0.32 0.11 0.27 -1.91 0.00 0.00 174.94 173.11 1j0g s ILE 84 N 1.25 4.30 0.28 2.00 -5.25 0.96 -2.00 121.20 122.74 1j0g s ILE 84 Ca 0.00 -1.19 -0.29 0.00 -0.99 0.00 0.00 60.65 58.18 1j0g s ILE 84 Cb -0.21 -3.20 -0.09 0.00 2.95 0.00 0.00 42.46 41.91 1j0g s ILE 84 CO -0.01 -0.13 1.08 -2.16 -1.79 0.00 0.00 174.94 171.93 1j0g s PRO 85 N -3.12 4.64 -0.66 0.37 0.04 -1.26 0.87 135.00 135.87 1j0g s PRO 85 Ca 0.30 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 1j0g s PRO 85 Cb -0.10 -3.17 0.11 0.00 0.04 0.00 0.00 34.50 31.38 1j0g s PRO 85 CO 0.22 0.23 0.80 0.50 0.04 0.00 0.00 177.00 178.80 1j0g s ARG 86 N -1.46 3.17 -0.80 4.56 3.52 -0.90 -4.79 118.95 122.25 1j0g s ARG 86 Ca 0.45 -1.41 -0.20 0.00 -0.13 0.00 0.00 55.73 54.44 1j0g s ARG 86 Cb -0.31 -4.36 0.10 0.00 -1.56 0.00 0.00 34.95 28.83 1j0g s ARG 86 CO 0.39 -1.59 1.04 -0.51 -0.81 0.00 0.00 175.30 173.82 1j0g s ASP 87 N 3.52 6.42 -0.14 -2.12 1.01 -1.26 -4.60 116.67 119.49 1j0g s ASP 87 Ca 0.16 -1.58 -0.13 0.00 0.71 0.00 0.00 52.55 51.71 1j0g s ASP 87 Cb -0.20 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1j0g s ASP 87 CO 0.03 -1.22 -0.25 0.54 0.21 0.00 0.00 175.17 174.49 1j0g n ARG 88 N 7.01 0.44 -3.84 8.23 5.12 -1.26 -5.02 116.66 127.33 1j0g n ARG 88 Ca 0.11 0.32 -0.12 0.00 -1.93 0.00 0.00 57.85 56.23 1j0g n ARG 88 Cb 0.47 -1.44 -0.13 0.00 -1.16 0.00 0.00 32.46 30.20 1j0g n ARG 88 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1j0g s VAL 89 N -2.44 0.00 -0.33 1.55 -7.23 -1.26 -5.10 120.40 105.59 1j0g s VAL 89 Ca -0.20 -0.03 -0.09 0.00 -1.81 0.00 0.00 61.98 59.85 1j0g s VAL 89 Cb 0.03 -0.14 0.19 0.00 0.56 0.00 0.00 36.38 37.02 1j0g s VAL 89 CO 0.30 -0.02 1.06 -0.83 -0.31 0.00 0.00 175.10 175.31 1j0g s GLY 90 N -0.01 -1.62 0.22 2.32 0.00 -1.26 -5.17 107.32 101.80 1j0g s GLY 90 Ca -0.01 1.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 1j0g s GLY 90 CO 0.00 4.31 0.43 -1.35 0.00 0.00 0.00 173.10 176.49 1j0g s SER 91 N 1.77 6.41 0.00 1.64 1.04 -1.26 -5.25 113.70 118.05 1j0g s SER 91 Ca 0.16 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1j0g s SER 91 Cb 0.05 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1j0g s SER 91 CO -0.14 -0.07 0.39 0.00 0.98 0.00 0.00 173.24 174.40