#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 3.16 -0.17 1.61 1.04 -1.26 -5.03 113.70 113.04 1j0g s SER 2 Ca 0.00 -1.33 -0.30 0.00 0.48 0.00 0.00 55.95 54.80 1j0g s SER 2 Cb 0.00 -0.25 0.13 0.00 0.10 0.00 0.00 66.02 66.01 1j0g s SER 2 CO 0.00 -0.47 1.04 -0.70 0.98 0.00 0.00 173.24 174.09 1j0g s GLU 3 N -3.77 0.53 0.00 4.02 2.56 -1.26 -5.15 118.70 115.63 1j0g s GLU 3 Ca 0.35 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.44 1j0g s GLU 3 Cb 0.08 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.46 1j0g s GLU 3 CO 0.16 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 1j0g n GLY 4 N 0.69 1.84 0.39 -1.50 0.00 -1.26 -4.93 105.19 100.42 1j0g n GLY 4 Ca -0.09 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g h ALA 5 N 0.00 -1.14 -1.59 4.61 0.00 -2.07 -3.41 119.26 115.66 1j0g h ALA 5 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1j0g h ALA 5 Cb 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 17.79 18.07 1j0g h ALA 5 CO 0.00 -1.13 -0.59 0.00 0.00 0.00 0.00 179.25 177.53 1j0g s ALA 6 N -5.24 -1.17 -0.25 0.00 0.00 -1.26 -5.13 121.76 108.70 1j0g s ALA 6 Ca -0.14 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.09 1j0g s ALA 6 Cb 0.03 -2.30 0.13 0.00 0.00 0.00 0.00 23.12 20.98 1j0g s ALA 6 CO 0.46 -2.13 1.09 -0.08 0.00 0.00 0.00 175.76 175.09 1j0g s THR 7 N 1.67 0.00 -0.47 0.00 -1.32 -1.26 -5.12 115.64 109.14 1j0g s THR 7 Ca 0.16 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.67 1j0g s THR 7 Cb -0.11 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.01 1j0g s THR 7 CO -0.07 0.00 0.23 -0.32 -2.21 0.00 0.00 174.62 172.25 1j0g s MET 8 N -0.18 1.61 -0.30 7.08 1.75 -1.26 -4.98 119.30 123.02 1j0g s MET 8 Ca 0.03 -2.26 -0.07 0.00 -1.25 0.00 0.00 55.69 52.13 1j0g s MET 8 Cb -0.04 -2.86 0.16 0.00 2.84 0.00 0.00 34.83 34.93 1j0g s MET 8 CO -0.05 -1.11 0.68 -1.54 -0.65 0.00 0.00 175.02 172.34 1j0g s SER 9 N 0.12 -1.15 0.26 1.11 1.04 -1.26 -5.17 113.70 108.65 1j0g s SER 9 Ca 0.17 1.21 0.02 0.00 0.48 0.00 0.00 55.95 57.83 1j0g s SER 9 Cb -0.25 2.16 -0.05 0.00 0.10 0.00 0.00 66.02 67.98 1j0g s SER 9 CO -0.01 -0.22 0.06 -0.54 0.98 0.00 0.00 173.24 173.51 1j0g s LYS 10 N 2.85 1.42 -0.02 4.02 1.02 -1.26 -3.51 119.74 124.26 1j0g s LYS 10 Ca 0.04 -1.76 -0.00 0.00 0.02 0.00 0.00 55.97 54.27 1j0g s LYS 10 Cb -0.12 -0.43 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1j0g s LYS 10 CO -0.19 -0.23 0.03 0.14 -0.92 0.00 0.00 175.35 174.18 1j0g s VAL 11 N -3.61 -0.04 -0.09 3.17 -7.23 0.28 -4.82 120.40 108.06 1j0g s VAL 11 Ca 0.35 0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.61 1j0g s VAL 11 Cb 0.07 -0.06 -0.04 0.00 0.56 0.00 0.00 36.38 36.91 1j0g s VAL 11 CO 0.12 0.06 0.16 -0.44 -0.31 0.00 0.00 175.10 174.69 1j0g s SER 12 N 0.74 6.40 -0.28 4.85 0.01 -1.26 -2.50 113.70 121.66 1j0g s SER 12 Ca -0.06 0.46 -0.00 0.00 1.31 0.00 0.00 55.95 57.65 1j0g s SER 12 Cb -0.09 -2.06 0.05 0.00 0.21 0.00 0.00 66.02 64.13 1j0g s SER 12 CO -0.02 0.37 -0.05 -0.36 0.41 0.00 0.00 173.24 173.60 1j0g s PHE 13 N -1.10 3.24 -0.80 2.43 0.08 -0.95 -4.75 117.98 116.13 1j0g s PHE 13 Ca 0.18 -2.00 -0.21 0.00 0.12 0.00 0.00 56.93 55.02 1j0g s PHE 13 Cb -0.12 -2.04 0.09 0.00 -0.57 0.00 0.00 43.02 40.38 1j0g s PHE 13 CO 0.08 -0.82 1.08 0.21 -0.10 0.00 0.00 175.22 175.66 1j0g s LYS 14 N 1.21 3.34 -0.08 0.44 2.20 -0.90 -3.40 119.74 122.55 1j0g s LYS 14 Ca -0.06 -1.19 0.02 0.00 -0.36 0.00 0.00 55.97 54.38 1j0g s LYS 14 Cb -0.19 -4.59 -0.02 0.00 -1.51 0.00 0.00 37.83 31.51 1j0g s LYS 14 CO -0.03 -1.85 -0.13 0.42 -0.36 0.00 0.00 175.35 173.40 1j0g s ILE 15 N 3.68 3.13 -0.29 5.43 1.01 -0.27 -2.54 121.20 131.35 1j0g s ILE 15 Ca 0.29 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1j0g s ILE 15 Cb -0.10 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.14 1j0g s ILE 15 CO 0.01 0.57 0.02 -0.89 0.00 0.00 0.00 174.94 174.65 1j0g s THR 16 N -0.38 3.31 0.12 2.92 2.01 -1.23 0.14 115.64 122.52 1j0g s THR 16 Ca 0.04 -1.07 -0.34 0.00 0.31 0.00 0.00 61.69 60.63 1j0g s THR 16 Cb -0.12 -2.78 -0.14 0.00 0.01 0.00 0.00 72.50 69.47 1j0g s THR 16 CO 0.02 0.02 1.61 -0.11 -0.69 0.00 0.00 174.62 175.48 1j0g n LEU 17 N 4.72 3.08 -0.06 4.42 7.94 -0.39 -4.26 117.00 132.46 1j0g n LEU 17 Ca -0.14 1.07 -0.01 0.00 -1.11 0.00 0.00 56.01 55.81 1j0g n LEU 17 Cb 0.46 -1.41 -0.16 0.00 0.53 0.00 0.00 43.42 42.84 1j0g n LEU 17 CO 0.28 -0.29 -0.98 0.35 -1.11 0.00 0.00 177.39 175.65 1j0g n THR 18 N 3.65 0.80 -0.22 1.96 -2.24 -1.26 -3.96 114.28 113.01 1j0g n THR 18 Ca 0.18 -0.70 0.02 0.00 -2.27 0.00 0.00 64.05 61.27 1j0g n THR 18 Cb 0.28 -0.27 0.14 0.00 -2.10 0.00 0.00 70.33 68.38 1j0g n THR 18 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1j0g h SER 19 N 0.00 0.22 -3.77 3.42 4.64 -1.89 -3.41 113.55 112.76 1j0g h SER 19 Ca -0.31 0.09 -0.49 0.00 -0.47 0.00 0.00 61.79 60.61 1j0g h SER 19 Cb 1.71 0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.89 1j0g h SER 19 CO 0.02 0.11 0.16 -0.62 -0.87 0.00 0.00 176.83 175.63 1j0g s ASP 20 N -5.37 6.52 -0.01 4.97 2.15 -1.26 -5.01 116.67 118.66 1j0g s ASP 20 Ca -0.13 1.19 -0.22 0.00 0.43 0.00 0.00 52.55 53.83 1j0g s ASP 20 Cb 0.18 -2.35 -0.22 0.00 -0.30 0.00 0.00 42.92 40.24 1j0g s ASP 20 CO 0.75 -0.44 1.10 1.55 -0.17 0.00 0.00 175.17 177.96 1j0g h PRO 21 N 1.14 0.32 -1.27 4.34 0.13 -1.90 -3.17 132.00 131.58 1j0g h PRO 21 Ca -0.47 -0.31 0.37 0.00 -0.87 0.00 0.00 66.00 64.72 1j0g h PRO 21 Cb 1.19 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1j0g h PRO 21 CO 0.63 0.99 0.90 0.00 -0.23 0.00 0.00 178.00 180.29 1j0g h ARG 22 N -0.24 0.04 -5.61 0.86 2.47 -1.95 -3.45 114.38 106.50 1j0g h ARG 22 Ca -0.04 -0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.48 1j0g h ARG 22 Cb 1.11 -0.01 0.09 0.00 -1.65 0.00 0.00 29.97 29.51 1j0g h ARG 22 CO 0.08 0.02 -0.54 1.28 0.56 0.00 0.00 179.97 181.37 1j0g n LEU 23 N -4.21 -5.49 -4.81 3.04 4.32 -1.20 -4.97 117.00 103.68 1j0g n LEU 23 Ca 0.28 -0.51 -0.30 0.00 -0.02 0.00 0.00 56.01 55.46 1j0g n LEU 23 Cb 1.31 -3.05 0.09 0.00 -1.62 0.00 0.00 43.42 40.15 1j0g n LEU 23 CO 0.39 -0.32 0.71 -2.16 -1.22 0.00 0.00 177.39 174.79 1j0g s PRO 24 N -4.09 2.16 0.14 3.23 0.04 -1.25 -4.77 135.00 130.46 1j0g s PRO 24 Ca 0.25 0.66 0.08 0.00 0.04 0.00 0.00 61.00 62.03 1j0g s PRO 24 Cb -0.05 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1j0g s PRO 24 CO 0.77 -1.57 -0.11 1.52 0.04 0.00 0.00 177.00 177.65 1j0g s TYR 25 N -3.15 2.67 0.02 0.56 -0.85 -1.26 -1.26 117.35 114.08 1j0g s TYR 25 Ca 0.60 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.97 1j0g s TYR 25 Cb -0.14 -1.36 -0.01 0.00 0.38 0.00 0.00 41.96 40.82 1j0g s TYR 25 CO 0.54 0.46 -0.05 0.21 -1.52 0.00 0.00 175.55 175.19 1j0g s LYS 26 N -2.46 0.39 -0.32 -3.49 2.36 0.12 -4.97 119.74 111.37 1j0g s LYS 26 Ca 0.22 -0.44 -0.02 0.00 -2.55 0.00 0.00 55.97 53.18 1j0g s LYS 26 Cb -0.10 -0.24 0.12 0.00 -1.05 0.00 0.00 37.83 36.56 1j0g s LYS 26 CO 0.14 0.05 0.16 0.54 1.55 0.00 0.00 175.35 177.79 1j0g s VAL 27 N -0.78 0.07 -0.01 4.02 0.11 -1.24 -1.12 120.40 121.46 1j0g s VAL 27 Ca -0.05 -1.18 -0.14 0.00 -2.93 0.00 0.00 61.98 57.67 1j0g s VAL 27 Cb -0.06 -1.08 -0.06 0.00 -1.53 0.00 0.00 36.38 33.66 1j0g s VAL 27 CO -0.00 -0.83 0.40 -0.22 -3.33 0.00 0.00 175.10 171.11 1j0g s LEU 28 N 1.65 4.47 -0.26 2.54 2.96 -1.22 -4.82 118.68 124.01 1j0g s LEU 28 Ca 0.13 0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 54.92 1j0g s LEU 28 Cb -0.19 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1j0g s LEU 28 CO -0.21 0.33 0.04 -0.44 -1.32 0.00 0.00 176.35 174.74 1j0g s SER 29 N -1.08 4.85 0.09 3.68 0.01 -1.26 -2.25 113.70 117.74 1j0g s SER 29 Ca 0.23 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1j0g s SER 29 Cb -0.16 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1j0g s SER 29 CO 0.13 -0.10 -0.06 0.68 0.41 0.00 0.00 173.24 174.31 1j0g s VAL 30 N 1.52 0.58 0.16 3.43 -7.23 -1.04 -4.94 120.40 112.87 1j0g s VAL 30 Ca 0.04 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1j0g s VAL 30 Cb -0.16 -1.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.05 1j0g s VAL 30 CO 0.01 -0.89 1.13 -2.16 -0.31 0.00 0.00 175.10 172.87 1j0g s PRO 31 N -3.86 4.55 0.17 4.82 0.04 -1.26 -0.56 135.00 138.91 1j0g s PRO 31 Ca 0.11 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 1j0g s PRO 31 Cb 0.06 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1j0g s PRO 31 CO -0.06 -0.00 1.55 0.93 0.04 0.00 0.00 177.00 179.46 1j0g h GLU 32 N 5.40 -0.05 -0.45 4.56 5.08 -1.88 -0.56 114.58 126.69 1j0g h GLU 32 Ca -0.44 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1j0g h GLU 32 Cb 1.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1j0g h GLU 32 CO 0.74 -0.03 -0.26 0.43 -1.00 0.00 0.00 179.01 178.88 1j0g n SER 33 N -5.32 -0.48 -3.94 1.42 7.64 -1.26 -0.47 113.62 111.22 1j0g n SER 33 Ca 0.03 1.21 -0.41 0.00 1.01 0.00 0.00 58.87 60.72 1j0g n SER 33 Cb 0.31 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1j0g n SER 33 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1j0g n THR 34 N -4.02 1.22 -2.53 0.44 -1.04 -0.22 -3.63 114.28 104.51 1j0g n THR 34 Ca 0.01 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.05 61.21 1j0g n THR 34 Cb 0.12 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.59 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 -0.90 4.09 0.49 -2.82 0.04 -1.26 0.14 135.00 134.77 1j0g s PRO 35 Ca 0.56 1.50 0.25 0.00 0.04 0.00 0.00 61.00 63.35 1j0g s PRO 35 Cb -0.71 -2.47 1.27 0.00 0.04 0.00 0.00 34.50 32.63 1j0g s PRO 35 CO 0.54 -0.20 2.00 0.35 0.04 0.00 0.00 177.00 179.73 1j0g h PHE 36 N 2.33 0.00 -0.83 0.56 3.04 -1.85 -2.54 116.94 117.66 1j0g h PHE 36 Ca -0.48 0.00 0.16 0.00 3.98 0.00 0.00 57.97 61.63 1j0g h PHE 36 Cb 1.22 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.67 1j0g h PHE 36 CO 0.57 0.16 0.55 0.00 -2.02 0.00 0.00 178.31 177.58 1j0g h THR 37 N 0.00 0.78 -0.47 4.41 1.03 -1.91 0.15 112.91 116.90 1j0g h THR 37 Ca -0.00 -0.17 -0.09 0.00 -0.01 0.00 0.00 66.41 66.14 1j0g h THR 37 Cb 0.43 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 67.73 1j0g h THR 37 CO 0.02 0.09 -0.05 0.00 -0.01 0.00 0.00 175.52 175.58 1j0g h ALA 38 N 1.62 0.64 -0.35 0.00 0.00 -1.85 -2.99 119.26 116.34 1j0g h ALA 38 Ca 0.42 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1j0g h ALA 38 Cb 0.89 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1j0g h ALA 38 CO -0.16 0.48 -0.21 0.28 0.00 0.00 0.00 179.25 179.64 1j0g h VAL 39 N 0.71 0.41 -0.23 0.00 2.07 -0.81 0.19 116.25 118.60 1j0g h VAL 39 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1j0g h VAL 39 Cb 0.57 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1j0g h VAL 39 CO 0.03 0.00 -0.43 0.25 0.02 0.00 0.00 177.57 177.44 1j0g h LEU 40 N -0.17 -1.41 -0.08 2.57 5.85 -1.32 0.84 115.31 121.60 1j0g h LEU 40 Ca 0.17 0.18 0.02 0.00 0.84 0.00 0.00 57.88 59.09 1j0g h LEU 40 Cb 0.44 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1j0g h LEU 40 CO -0.45 -0.34 -0.35 0.11 -0.34 0.00 0.00 178.44 177.07 1j0g h LYS 41 N -0.37 -0.37 -0.39 1.25 1.57 -1.26 0.36 116.57 117.35 1j0g h LYS 41 Ca 0.04 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1j0g h LYS 41 Cb 0.49 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1j0g h LYS 41 CO -0.41 -0.25 -0.38 0.35 -0.57 0.00 0.00 179.45 178.19 1j0g h PHE 42 N -0.39 -1.18 -0.52 -1.35 3.04 -0.08 0.25 116.94 116.72 1j0g h PHE 42 Ca 0.02 0.06 0.07 0.00 3.98 0.00 0.00 57.97 62.11 1j0g h PHE 42 Cb 0.45 0.57 -0.10 0.00 2.56 0.00 0.00 35.95 39.42 1j0g h PHE 42 CO -0.53 -0.30 -0.48 0.00 -2.02 0.00 0.00 178.31 174.98 1j0g h ALA 43 N -0.32 -0.49 -0.54 2.41 0.00 0.11 0.62 119.26 121.05 1j0g h ALA 43 Ca 0.07 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1j0g h ALA 43 Cb 0.36 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 1j0g h ALA 43 CO -0.47 -0.91 -0.51 0.00 0.00 0.00 0.00 179.25 177.37 1j0g h ALA 44 N 0.39 -0.56 -0.75 0.00 0.00 0.10 0.84 119.26 119.29 1j0g h ALA 44 Ca 0.14 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1j0g h ALA 44 Cb 0.57 1.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1j0g h ALA 44 CO -0.65 -0.95 0.50 1.49 0.00 0.00 0.00 179.25 179.64 1j0g h GLU 45 N -0.29 0.47 -0.06 0.00 4.81 0.13 0.46 114.58 120.10 1j0g h GLU 45 Ca 0.13 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1j0g h GLU 45 Cb 0.57 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1j0g h GLU 45 CO -0.67 0.31 -0.29 0.93 -0.73 0.00 0.00 179.01 178.56 1j0g h GLU 46 N 0.48 0.11 -0.01 1.92 4.39 0.61 -2.04 114.58 120.04 1j0g h GLU 46 Ca 0.36 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1j0g h GLU 46 Cb 0.73 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1j0g h GLU 46 CO -0.12 0.39 -0.45 1.19 -1.16 0.00 0.00 179.01 178.86 1j0g n PHE 47 N -4.16 0.00 -2.19 4.33 3.72 0.11 -4.98 117.46 114.29 1j0g n PHE 47 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 1j0g n PHE 47 Cb 0.36 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1j0g n PHE 47 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1j0g n LYS 48 N -0.68 -0.87 -4.19 -1.08 4.81 0.12 -5.07 118.16 111.21 1j0g n LYS 48 Ca 0.09 0.37 -0.11 0.00 -0.87 0.00 0.00 58.31 57.80 1j0g n LYS 48 Cb 0.38 -3.22 -0.10 0.00 0.02 0.00 0.00 35.03 32.11 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1j0g s VAL 49 N -3.15 0.58 -0.00 3.15 -7.23 -0.63 -4.99 120.40 108.13 1j0g s VAL 49 Ca 0.17 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1j0g s VAL 49 Cb -0.02 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1j0g s VAL 49 CO 0.29 -0.69 1.19 -2.16 -0.31 0.00 0.00 175.10 173.42 1j0g s PRO 50 N -3.90 4.39 -1.32 4.82 0.04 -1.26 -4.15 135.00 133.63 1j0g s PRO 50 Ca 0.17 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1j0g s PRO 50 Cb 0.06 -3.47 0.13 0.00 0.04 0.00 0.00 34.50 31.26 1j0g s PRO 50 CO -0.01 -0.35 1.91 0.00 0.04 0.00 0.00 177.00 178.59 1j0g n ALA 51 N 4.62 5.11 0.00 8.56 0.00 -1.26 -3.57 120.51 133.96 1j0g n ALA 51 Ca 0.10 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1j0g n ALA 51 Cb 0.46 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 5.01 0.00 -1.31 0.00 0.00 -1.26 -4.94 120.51 118.02 1j0g n ALA 52 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 1j0g n ALA 52 Cb 0.38 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.48 3.55 -4.10 0.00 -2.24 -1.23 -4.77 114.28 104.00 1j0g n THR 53 Ca 0.00 -2.73 -0.10 0.00 -2.27 0.00 0.00 64.05 58.95 1j0g n THR 53 Cb 0.00 -1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 67.09 1j0g n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0g s SER 54 N -1.71 0.83 -0.17 3.42 1.04 -1.26 -3.00 113.70 112.85 1j0g s SER 54 Ca 0.63 -0.82 -0.28 0.00 0.48 0.00 0.00 55.95 55.96 1j0g s SER 54 Cb 0.50 0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.81 1j0g s SER 54 CO 0.01 -0.40 0.81 0.00 0.98 0.00 0.00 173.24 174.65 1j0g s ALA 55 N -2.79 -1.84 -0.05 5.32 0.00 0.29 -4.46 121.76 118.23 1j0g s ALA 55 Ca 0.02 1.65 -0.02 0.00 0.00 0.00 0.00 51.96 53.60 1j0g s ALA 55 Cb -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1j0g s ALA 55 CO -0.04 -0.33 0.08 0.42 0.00 0.00 0.00 175.76 175.89 1j0g s ILE 56 N -0.55 4.83 0.08 0.00 1.01 -1.26 -0.03 121.20 125.27 1j0g s ILE 56 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1j0g s ILE 56 Cb -0.02 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1j0g s ILE 56 CO 0.03 0.46 -0.06 0.27 0.00 0.00 0.00 174.94 175.65 1j0g s ILE 57 N -1.10 0.53 1.09 2.92 -4.36 -0.98 -3.19 121.20 116.11 1j0g s ILE 57 Ca 0.19 -1.77 -0.15 0.00 -0.26 0.00 0.00 60.65 58.66 1j0g s ILE 57 Cb -0.12 -1.47 0.23 0.00 1.25 0.00 0.00 42.46 42.35 1j0g s ILE 57 CO 0.10 -0.84 1.10 0.42 0.24 0.00 0.00 174.94 175.96 1j0g s THR 58 N -3.39 1.83 -0.47 8.37 -4.23 -1.26 -3.04 115.64 113.46 1j0g s THR 58 Ca 0.07 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.78 1j0g s THR 58 Cb 0.04 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.58 1j0g s THR 58 CO -0.05 0.00 1.60 -0.46 -0.54 0.00 0.00 174.62 175.17 1j0g n ASN 59 N -4.43 0.51 -0.34 3.99 0.23 -1.26 -0.20 115.26 113.75 1j0g n ASN 59 Ca 0.09 0.67 0.09 0.00 -0.53 0.00 0.00 54.58 54.90 1j0g n ASN 59 Cb 0.58 -0.76 -0.03 0.00 -2.08 0.00 0.00 39.78 37.50 1j0g n ASN 59 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1j0g n ASP 60 N -2.11 1.64 -2.77 0.53 8.00 -1.26 -5.01 116.55 115.57 1j0g n ASP 60 Ca 0.01 -1.32 -0.08 0.00 0.71 0.00 0.00 54.79 54.11 1j0g n ASP 60 Cb 0.13 0.59 0.04 0.00 -0.02 0.00 0.00 41.12 41.86 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j0g n GLY 61 N 1.33 -0.77 0.11 0.44 0.00 0.72 -4.96 105.19 102.07 1j0g n GLY 61 Ca 0.07 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.41 0.19 -0.52 -0.61 2.08 -1.26 -4.89 119.36 111.94 1j0g n ILE 62 Ca -0.04 -0.60 0.06 0.00 0.56 0.00 0.00 62.75 62.74 1j0g n ILE 62 Cb 0.56 0.94 -0.03 0.00 -0.75 0.00 0.00 39.64 40.36 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 0.06 -2.77 3.77 7.39 0.00 -1.26 -4.90 105.19 107.47 1j0g n GLY 63 Ca 0.02 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.29 3.24 -0.31 -0.61 -1.09 -1.19 -4.50 121.20 113.45 1j0g s ILE 64 Ca 0.00 -1.59 -0.01 0.00 -2.23 0.00 0.00 60.65 56.82 1j0g s ILE 64 Cb 0.00 -3.05 0.10 0.00 -1.58 0.00 0.00 42.46 37.93 1j0g s ILE 64 CO 0.00 -0.19 0.11 0.20 -1.23 0.00 0.00 174.94 173.83 1j0g s ASN 65 N -3.89 3.93 -0.15 3.58 0.01 -1.26 -5.01 114.94 112.16 1j0g s ASN 65 Ca 0.38 -1.62 -0.05 0.00 -0.71 0.00 0.00 52.86 50.87 1j0g s ASN 65 Cb -0.04 -0.78 -0.19 0.00 0.41 0.00 0.00 41.25 40.65 1j0g s ASN 65 CO 0.24 -0.41 2.80 -0.81 -1.51 0.00 0.00 177.10 177.40 1j0g n PRO 66 N 4.87 1.65 0.01 -0.60 -0.04 -1.26 -3.86 135.00 135.77 1j0g n PRO 66 Ca -0.02 -0.87 0.11 0.00 -0.04 0.00 0.00 63.50 62.68 1j0g n PRO 66 Cb 0.42 -1.96 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 1j0g n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0g n ALA 67 N 2.78 3.17 -4.31 0.55 0.00 -1.26 -4.87 120.51 116.58 1j0g n ALA 67 Ca 0.35 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1j0g n ALA 67 Cb 0.63 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 1j0g n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n GLN 68 N -2.15 1.13 -2.34 0.00 0.00 -1.25 -5.12 117.38 107.65 1j0g n GLN 68 Ca -0.01 -2.06 -0.36 0.00 0.00 0.00 0.00 57.00 54.57 1j0g n GLN 68 Cb 0.51 0.72 -0.02 0.00 0.00 0.00 0.00 30.24 31.45 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 -2.16 3.29 0.21 -0.39 -4.23 -1.26 -4.31 115.64 106.79 1j0g s THR 69 Ca 0.04 0.93 -0.15 0.00 -1.18 0.00 0.00 61.69 61.32 1j0g s THR 69 Cb 0.00 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.61 1j0g s THR 69 CO 0.03 -0.05 1.61 0.00 -0.54 0.00 0.00 174.62 175.66 1j0g h ALA 70 N 1.94 0.29 -0.27 3.99 0.00 0.39 1.62 119.26 127.22 1j0g h ALA 70 Ca -0.49 0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1j0g h ALA 70 Cb 1.24 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1j0g h ALA 70 CO 0.60 -0.50 0.40 0.78 0.00 0.00 0.00 179.25 180.53 1j0g h GLY 71 N -0.05 0.00 0.45 0.00 0.00 -1.47 1.79 103.07 103.78 1j0g h GLY 71 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1j0g h GLY 71 CO -0.69 0.00 -1.56 0.70 0.00 0.00 0.00 176.54 175.00 1j0g n ASN 72 N -3.45 0.38 -0.03 0.19 4.13 0.50 -3.17 115.26 113.82 1j0g n ASN 72 Ca 0.04 0.15 -0.21 0.00 1.68 0.00 0.00 54.58 56.24 1j0g n ASN 72 Cb 0.54 1.29 -0.13 0.00 -1.54 0.00 0.00 39.78 39.94 1j0g n ASN 72 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1j0g h VAL 73 N 0.00 1.07 0.00 2.41 2.07 0.62 -2.20 116.25 120.22 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 1.01 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1j0g h VAL 73 CO 0.00 0.61 0.00 2.22 0.02 0.00 0.00 177.57 180.42 1j0g n PHE 74 N -4.10 0.79 -0.09 1.57 -1.74 0.52 -0.12 117.46 114.29 1j0g n PHE 74 Ca -0.25 0.28 -0.23 0.00 -0.56 0.00 0.00 57.45 56.69 1j0g n PHE 74 Cb 0.81 -0.96 -0.12 0.00 1.52 0.00 0.00 39.48 40.73 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 -2.19 2.08 -0.11 5.98 7.94 -1.19 -0.16 117.00 129.35 1j0g n LEU 75 Ca 0.03 0.34 -0.12 0.00 -1.11 0.00 0.00 56.01 55.16 1j0g n LEU 75 Cb 0.29 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.27 1j0g n LEU 75 CO 0.23 0.47 0.58 0.07 -1.11 0.00 0.00 177.39 177.62 1j0g h LYS 76 N -0.73 0.90 0.00 1.96 2.10 -1.35 -3.33 116.57 116.11 1j0g h LYS 76 Ca -0.42 -0.45 -0.25 0.00 -2.00 0.00 0.00 60.65 57.53 1j0g h LYS 76 Cb 1.53 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.83 1j0g h LYS 76 CO -0.17 1.10 -1.43 0.72 -2.00 0.00 0.00 179.45 177.67 1j0g n HIS 77 N -4.06 0.76 0.00 0.07 8.25 0.83 -5.07 115.22 115.99 1j0g n HIS 77 Ca -0.02 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1j0g n HIS 77 Cb 0.53 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.62 1j0g n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0g n GLY 78 N 1.42 1.96 0.14 -1.41 0.00 0.77 -4.86 105.19 103.20 1j0g n GLY 78 Ca -0.33 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.45 1j0g n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0g n SER 79 N 0.00 2.07 -4.56 1.61 2.88 -1.08 -4.29 113.62 110.24 1j0g n SER 79 Ca 0.00 0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 57.25 1j0g n SER 79 Cb 0.00 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 62.70 1j0g n SER 79 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j0g s GLU 80 N -2.54 3.28 0.32 -1.46 2.02 -1.26 -2.12 118.70 116.94 1j0g s GLU 80 Ca -0.27 0.07 0.05 0.00 0.02 0.00 0.00 54.97 54.84 1j0g s GLU 80 Cb 0.07 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.14 1j0g s GLU 80 CO 0.70 -1.99 0.21 -0.51 0.02 0.00 0.00 175.26 173.68 1j0g s LEU 81 N 5.71 1.69 0.03 1.80 1.43 -1.05 -4.42 118.68 123.87 1j0g s LEU 81 Ca 0.42 -1.65 0.05 0.00 -1.03 0.00 0.00 54.13 51.93 1j0g s LEU 81 Cb -0.08 0.34 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 1j0g s LEU 81 CO 0.20 -0.97 -0.16 -0.13 0.23 0.00 0.00 176.35 175.53 1j0g s ARG 82 N -3.67 1.09 -0.24 1.70 0.52 -1.17 -3.57 118.95 113.61 1j0g s ARG 82 Ca 0.36 -0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 54.72 1j0g s ARG 82 Cb 0.04 -1.12 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 1j0g s ARG 82 CO 0.21 0.29 0.16 -1.50 0.02 0.00 0.00 175.30 174.47 1j0g s ILE 83 N -0.73 5.29 0.12 1.52 2.07 -1.26 -2.31 121.20 125.90 1j0g s ILE 83 Ca 0.04 0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.48 1j0g s ILE 83 Cb -0.08 -3.47 -0.04 0.00 0.13 0.00 0.00 42.46 39.00 1j0g s ILE 83 CO 0.01 0.34 -0.11 0.27 -1.91 0.00 0.00 174.94 173.54 1j0g s ILE 84 N 1.15 1.11 -0.02 2.00 -5.25 0.95 -4.07 121.20 117.06 1j0g s ILE 84 Ca 0.07 -1.80 -0.30 0.00 -0.99 0.00 0.00 60.65 57.63 1j0g s ILE 84 Cb -0.14 -1.56 -0.04 0.00 2.95 0.00 0.00 42.46 43.67 1j0g s ILE 84 CO 0.05 -0.59 1.21 -2.16 -1.79 0.00 0.00 174.94 171.66 1j0g s PRO 85 N -3.08 4.37 0.29 0.37 0.04 -1.26 0.11 135.00 135.84 1j0g s PRO 85 Ca 0.10 1.71 0.18 0.00 0.04 0.00 0.00 61.00 63.03 1j0g s PRO 85 Cb -0.02 -3.50 0.11 0.00 0.04 0.00 0.00 34.50 31.13 1j0g s PRO 85 CO 0.01 -0.39 1.38 0.07 0.04 0.00 0.00 177.00 178.10 1j0g h ARG 86 N 7.30 0.00 0.00 4.56 0.11 -1.75 -3.46 114.38 121.13 1j0g h ARG 86 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1j0g h ARG 86 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1j0g h ARG 86 CO 0.86 0.29 0.00 -0.25 0.10 0.00 0.00 179.97 180.97 1j0g n ASP 87 N -3.10 0.00 0.00 0.08 8.00 -1.26 -5.01 116.55 115.26 1j0g n ASP 87 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1j0g n ASP 87 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1j0g n ASP 87 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1j0g n ARG 88 N 0.00 0.00 -1.72 -1.24 -4.01 -1.26 -4.33 116.66 104.09 1j0g n ARG 88 Ca 0.00 0.00 -0.64 0.00 -1.04 0.00 0.00 57.85 56.17 1j0g n ARG 88 Cb 0.00 -0.15 -0.09 0.00 -3.04 0.00 0.00 32.46 29.18 1j0g n ARG 88 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 1j0g n VAL 89 N -2.16 0.09 0.00 8.89 0.24 -1.26 -4.62 118.33 119.50 1j0g n VAL 89 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1j0g n VAL 89 Cb 0.00 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1j0g n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j0g n GLY 90 N 3.89 0.01 2.42 7.63 0.00 -1.26 -5.08 105.19 112.80 1j0g n GLY 90 Ca 0.29 0.55 -0.28 0.00 0.00 0.00 0.00 46.02 46.59 1j0g n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0g s SER 91 N 2.00 1.96 0.00 1.61 0.15 -1.26 -5.35 113.70 112.81 1j0g s SER 91 Ca 0.00 -2.76 0.00 0.00 0.70 0.00 0.00 55.95 53.89 1j0g s SER 91 Cb 0.00 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1j0g s SER 91 CO 0.00 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.22