#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g n SER 2 N 0.00 -7.97 -0.03 1.61 7.64 -1.26 -5.03 113.62 108.58 1j0g n SER 2 Ca 0.00 1.14 -0.06 0.00 1.01 0.00 0.00 58.87 60.96 1j0g n SER 2 Cb 0.00 -4.26 -0.02 0.00 -1.01 0.00 0.00 64.21 58.92 1j0g n SER 2 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1j0g n GLU 3 N 1.11 0.29 0.00 1.43 2.13 -1.26 -5.15 120.64 119.19 1j0g n GLU 3 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1j0g n GLU 3 Cb 0.00 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 30.70 1j0g n GLU 3 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j0g n GLY 4 N 2.35 1.68 2.61 8.31 0.00 -1.26 -5.08 105.19 113.81 1j0g n GLY 4 Ca -0.10 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g n ALA 5 N 1.58 -3.58 -3.83 4.61 0.00 -1.26 -5.07 120.51 112.95 1j0g n ALA 5 Ca 0.00 1.35 -0.06 0.00 0.00 0.00 0.00 53.44 54.73 1j0g n ALA 5 Cb 0.00 -2.64 0.01 0.00 0.00 0.00 0.00 19.45 16.82 1j0g n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g s ALA 6 N -1.15 -1.25 -0.58 0.00 0.00 -1.26 -5.08 121.76 112.45 1j0g s ALA 6 Ca -0.13 -0.42 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1j0g s ALA 6 Cb 0.01 0.72 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 1j0g s ALA 6 CO 0.76 -1.03 2.42 2.41 0.00 0.00 0.00 175.76 180.32 1j0g n THR 7 N -0.58 -0.06 -1.66 0.00 -1.04 -1.26 -4.83 114.28 104.85 1j0g n THR 7 Ca -0.06 -0.72 -0.64 0.00 -2.04 0.00 0.00 64.05 60.60 1j0g n THR 7 Cb 0.60 -2.57 -0.09 0.00 -1.82 0.00 0.00 70.33 66.45 1j0g n THR 7 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1j0g n MET 8 N 8.94 0.15 -3.15 -2.82 1.56 -1.26 -4.89 117.12 115.65 1j0g n MET 8 Ca 0.40 0.05 0.06 0.00 -0.27 0.00 0.00 57.70 57.94 1j0g n MET 8 Cb 0.51 -1.58 -0.00 0.00 2.15 0.00 0.00 33.22 34.30 1j0g n MET 8 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1j0g s SER 9 N 2.00 -0.26 0.31 6.12 1.04 -1.26 -5.15 113.70 116.50 1j0g s SER 9 Ca 0.99 0.04 0.03 0.00 0.48 0.00 0.00 55.95 57.49 1j0g s SER 9 Cb -1.37 1.17 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1j0g s SER 9 CO 0.71 -0.05 0.11 -0.54 0.98 0.00 0.00 173.24 174.45 1j0g s LYS 10 N 2.97 1.60 -0.11 4.02 1.02 -1.26 -3.20 119.74 124.77 1j0g s LYS 10 Ca 0.26 -1.90 -0.05 0.00 0.02 0.00 0.00 55.97 54.30 1j0g s LYS 10 Cb -0.02 -0.43 0.05 0.00 -0.52 0.00 0.00 37.83 36.92 1j0g s LYS 10 CO -0.21 -0.33 0.26 0.14 -0.92 0.00 0.00 175.35 174.28 1j0g s VAL 11 N -3.52 -0.13 -0.23 3.17 -7.23 -0.61 -4.86 120.40 106.99 1j0g s VAL 11 Ca 0.35 0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.60 1j0g s VAL 11 Cb 0.07 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1j0g s VAL 11 CO 0.15 0.07 0.12 -0.44 -0.31 0.00 0.00 175.10 174.70 1j0g s SER 12 N 1.54 5.77 -0.18 4.85 0.01 -1.25 -2.97 113.70 121.47 1j0g s SER 12 Ca -0.07 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.13 1j0g s SER 12 Cb -0.11 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1j0g s SER 12 CO -0.09 0.05 0.07 -0.36 0.41 0.00 0.00 173.24 173.32 1j0g s PHE 13 N 1.13 3.27 -0.71 2.43 0.40 -1.10 -4.87 117.98 118.53 1j0g s PHE 13 Ca 0.06 0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.33 1j0g s PHE 13 Cb -0.14 -2.06 0.14 0.00 0.51 0.00 0.00 43.02 41.47 1j0g s PHE 13 CO 0.04 0.20 0.78 0.21 0.70 0.00 0.00 175.22 177.16 1j0g s LYS 14 N 0.24 3.30 0.11 0.44 2.20 -0.58 -3.27 119.74 122.18 1j0g s LYS 14 Ca 0.04 -1.77 0.06 0.00 -0.36 0.00 0.00 55.97 53.94 1j0g s LYS 14 Cb -0.12 -4.44 -0.04 0.00 -1.51 0.00 0.00 37.83 31.72 1j0g s LYS 14 CO 0.00 -1.49 -0.01 0.42 -0.36 0.00 0.00 175.35 173.91 1j0g s ILE 15 N 1.86 3.86 -0.16 5.43 1.01 -1.25 -2.56 121.20 129.39 1j0g s ILE 15 Ca 0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1j0g s ILE 15 Cb -0.17 -2.86 0.04 0.00 0.01 0.00 0.00 42.46 39.48 1j0g s ILE 15 CO -0.01 0.06 -0.02 -0.89 0.00 0.00 0.00 174.94 174.08 1j0g s THR 16 N -1.40 0.82 0.22 2.92 2.01 -1.20 -3.17 115.64 115.84 1j0g s THR 16 Ca 0.26 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 1j0g s THR 16 Cb -0.11 -1.09 -0.11 0.00 0.01 0.00 0.00 72.50 71.19 1j0g s THR 16 CO 0.18 0.05 1.67 -0.22 -0.69 0.00 0.00 174.62 175.60 1j0g s LEU 17 N 1.75 4.37 -0.49 4.42 2.96 -1.00 -3.99 118.68 126.70 1j0g s LEU 17 Ca 0.01 2.84 0.08 0.00 -0.22 0.00 0.00 54.13 56.84 1j0g s LEU 17 Cb -0.15 -3.61 0.34 0.00 0.50 0.00 0.00 46.19 43.27 1j0g s LEU 17 CO -0.07 -0.93 0.83 0.35 -1.32 0.00 0.00 176.35 175.21 1j0g n THR 18 N 3.61 1.58 -2.90 3.68 -2.24 -1.26 -4.26 114.28 112.49 1j0g n THR 18 Ca 0.14 -5.10 -0.12 0.00 -2.27 0.00 0.00 64.05 56.69 1j0g n THR 18 Cb 0.36 -1.00 0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1j0g n THR 18 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1j0g n SER 19 N 0.08 -0.26 0.00 3.42 3.41 -1.26 -4.94 113.62 114.07 1j0g n SER 19 Ca 0.28 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1j0g n SER 19 Cb 0.51 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1j0g n SER 19 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j0g n ASP 20 N 0.12 0.00 -2.84 4.04 8.00 -1.26 -4.99 116.55 119.62 1j0g n ASP 20 Ca 0.13 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 1j0g n ASP 20 Cb 0.73 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.77 1j0g n ASP 20 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1j0g n PRO 21 N -0.83 2.33 -3.57 -0.24 -0.04 -1.26 -4.72 135.00 126.67 1j0g n PRO 21 Ca 0.00 -1.42 -0.06 0.00 -0.04 0.00 0.00 63.50 61.99 1j0g n PRO 21 Cb 0.00 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.09 1j0g n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1j0g s ARG 22 N 2.39 0.45 -0.46 0.54 0.52 -1.26 -5.09 118.95 116.04 1j0g s ARG 22 Ca 0.52 -0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.69 1j0g s ARG 22 Cb 0.17 0.21 0.28 0.00 0.52 0.00 0.00 34.95 36.13 1j0g s ARG 22 CO -0.03 -0.19 0.67 1.28 0.02 0.00 0.00 175.30 177.06 1j0g n LEU 23 N 0.00 1.64 -4.77 2.53 7.99 -1.26 -4.63 117.00 118.50 1j0g n LEU 23 Ca -0.03 -5.05 -0.38 0.00 -0.01 0.00 0.00 56.01 50.54 1j0g n LEU 23 Cb 0.59 0.22 -0.04 0.00 -0.11 0.00 0.00 43.42 44.08 1j0g n LEU 23 CO 0.10 2.15 0.75 -2.16 -1.51 0.00 0.00 177.39 176.72 1j0g s PRO 24 N -2.03 4.30 0.15 3.23 0.04 -1.26 -4.86 135.00 134.57 1j0g s PRO 24 Ca 0.39 1.59 0.09 0.00 0.04 0.00 0.00 61.00 63.11 1j0g s PRO 24 Cb 0.22 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1j0g s PRO 24 CO -0.08 -0.04 -0.21 1.52 0.04 0.00 0.00 177.00 178.23 1j0g s TYR 25 N -1.52 1.96 -0.28 0.56 -0.85 -1.26 -2.37 117.35 113.60 1j0g s TYR 25 Ca 0.54 -0.42 -0.19 0.00 -0.52 0.00 0.00 57.07 56.47 1j0g s TYR 25 Cb -0.25 -1.01 0.08 0.00 0.38 0.00 0.00 41.96 41.16 1j0g s TYR 25 CO 0.31 0.34 0.72 -1.59 -1.52 0.00 0.00 175.55 173.81 1j0g s LYS 26 N -2.47 0.74 -0.26 -3.49 0.00 -1.19 -5.06 119.74 108.01 1j0g s LYS 26 Ca 0.14 1.11 -0.11 0.00 0.00 0.00 0.00 55.97 57.12 1j0g s LYS 26 Cb -0.08 0.24 -0.05 0.00 0.00 0.00 0.00 37.83 37.94 1j0g s LYS 26 CO 0.07 -0.13 0.18 0.14 0.00 0.00 0.00 175.35 175.60 1j0g s VAL 27 N 1.14 5.30 -0.23 1.79 -7.23 -1.26 -3.76 120.40 116.16 1j0g s VAL 27 Ca -0.06 0.16 -0.08 0.00 -1.81 0.00 0.00 61.98 60.19 1j0g s VAL 27 Cb -0.05 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1j0g s VAL 27 CO -0.12 0.29 0.10 -0.22 -0.31 0.00 0.00 175.10 174.84 1j0g s LEU 28 N 1.51 3.78 -0.24 1.32 2.96 -1.20 -4.86 118.68 121.94 1j0g s LEU 28 Ca 0.07 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1j0g s LEU 28 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1j0g s LEU 28 CO 0.09 0.06 0.09 -0.55 -1.32 0.00 0.00 176.35 174.71 1j0g s SER 29 N 1.07 5.37 0.05 3.68 0.15 -1.26 -2.70 113.70 120.05 1j0g s SER 29 Ca 0.05 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1j0g s SER 29 Cb -0.14 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1j0g s SER 29 CO 0.04 0.00 0.02 0.68 1.20 0.00 0.00 173.24 175.17 1j0g s VAL 30 N 1.40 0.19 -0.06 4.45 -7.23 -1.16 -4.91 120.40 113.09 1j0g s VAL 30 Ca 0.06 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 1j0g s VAL 30 Cb -0.15 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1j0g s VAL 30 CO 0.04 -0.85 1.22 -2.16 -0.31 0.00 0.00 175.10 173.05 1j0g s PRO 31 N -3.48 4.34 0.31 4.82 0.04 -1.26 -1.57 135.00 138.20 1j0g s PRO 31 Ca 0.03 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1j0g s PRO 31 Cb 0.04 -3.57 0.88 0.00 0.04 0.00 0.00 34.50 31.89 1j0g s PRO 31 CO -0.08 -0.48 1.50 -0.85 0.04 0.00 0.00 177.00 177.13 1j0g n GLU 32 N 5.30 -0.07 -0.59 4.56 0.28 -1.20 0.19 120.64 129.11 1j0g n GLU 32 Ca 0.11 1.40 0.46 0.00 -0.16 0.00 0.00 57.16 58.97 1j0g n GLU 32 Cb 0.46 -2.30 0.71 0.00 1.43 0.00 0.00 31.44 31.74 1j0g n GLU 32 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j0g n SER 33 N -5.35 0.00 -4.83 -1.84 2.88 -1.26 -2.19 113.62 101.03 1j0g n SER 33 Ca 0.26 0.89 -0.35 0.00 -1.33 0.00 0.00 58.87 58.35 1j0g n SER 33 Cb 0.87 -0.43 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 1j0g n SER 33 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j0g s THR 34 N -4.65 4.66 0.33 2.46 2.01 0.50 -4.87 115.64 116.08 1j0g s THR 34 Ca -0.04 1.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.76 1j0g s THR 34 Cb 0.23 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1j0g s THR 34 CO 0.77 0.07 1.07 -2.16 -0.69 0.00 0.00 174.62 173.69 1j0g s PRO 35 N -2.33 4.44 0.26 4.92 0.04 -1.26 -0.55 135.00 140.52 1j0g s PRO 35 Ca 0.46 1.66 0.17 0.00 0.04 0.00 0.00 61.00 63.34 1j0g s PRO 35 Cb -0.14 -2.91 0.95 0.00 0.04 0.00 0.00 34.50 32.43 1j0g s PRO 35 CO 0.20 0.07 1.53 0.34 0.04 0.00 0.00 177.00 179.18 1j0g n PHE 36 N 0.66 0.59 0.19 0.56 -0.00 -1.26 -0.80 117.46 117.39 1j0g n PHE 36 Ca 0.01 0.31 0.03 0.00 -0.00 0.00 0.00 57.45 57.81 1j0g n PHE 36 Cb 0.47 -0.99 0.36 0.00 -0.00 0.00 0.00 39.48 39.32 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 1.20 0.00 -2.13 1.03 -1.90 -2.06 112.91 109.05 1j0g h THR 37 Ca 0.00 -1.33 -0.09 0.00 -0.01 0.00 0.00 66.41 64.98 1j0g h THR 37 Cb 0.02 1.73 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 1j0g h THR 37 CO 0.00 0.37 -0.45 0.00 -0.01 0.00 0.00 175.52 175.43 1j0g h ALA 38 N 1.62 0.98 -0.43 0.00 0.00 -1.35 -3.01 119.26 117.07 1j0g h ALA 38 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1j0g h ALA 38 Cb 0.70 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1j0g h ALA 38 CO 0.05 0.56 0.22 0.28 0.00 0.00 0.00 179.25 180.36 1j0g h VAL 39 N 0.00 1.17 0.10 0.00 2.07 -1.46 -1.62 116.25 116.51 1j0g h VAL 39 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1j0g h VAL 39 Cb 0.97 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1j0g h VAL 39 CO 0.06 0.18 -0.19 0.25 0.02 0.00 0.00 177.57 177.89 1j0g h LEU 40 N 0.56 -0.54 -0.81 2.57 6.46 -1.49 0.70 115.31 122.77 1j0g h LEU 40 Ca 0.15 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 58.04 1j0g h LEU 40 Cb 0.09 0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.10 1j0g h LEU 40 CO -0.02 -0.22 -0.57 0.50 -0.62 0.00 0.00 178.44 177.52 1j0g h LYS 41 N -0.31 -0.12 -0.08 1.25 3.64 -1.56 0.28 116.57 119.67 1j0g h LYS 41 Ca -0.01 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1j0g h LYS 41 Cb 0.29 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1j0g h LYS 41 CO -0.07 -0.08 -0.52 0.35 -2.27 0.00 0.00 179.45 176.86 1j0g h PHE 42 N -0.13 -1.54 -0.31 1.91 3.04 -1.00 0.15 116.94 119.06 1j0g h PHE 42 Ca 0.14 0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.18 1j0g h PHE 42 Cb 0.48 0.68 -0.06 0.00 2.56 0.00 0.00 35.95 39.62 1j0g h PHE 42 CO -0.92 -0.55 -0.37 0.00 -2.02 0.00 0.00 178.31 174.45 1j0g h ALA 43 N -0.28 -0.59 -0.54 2.41 0.00 0.21 1.32 119.26 121.79 1j0g h ALA 43 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1j0g h ALA 43 Cb 0.69 1.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1j0g h ALA 43 CO -0.40 -0.77 -0.49 0.00 0.00 0.00 0.00 179.25 177.58 1j0g h ALA 44 N -0.43 -0.63 -0.93 0.00 0.00 -0.09 0.60 119.26 117.78 1j0g h ALA 44 Ca 0.05 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.18 1j0g h ALA 44 Cb 0.38 1.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1j0g h ALA 44 CO -0.41 -0.91 0.52 0.93 0.00 0.00 0.00 179.25 179.38 1j0g h GLU 45 N -0.21 0.65 0.00 0.00 5.08 0.35 1.07 114.58 121.51 1j0g h GLU 45 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1j0g h GLU 45 Cb 0.45 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1j0g h GLU 45 CO -0.62 0.43 -0.01 0.93 -1.00 0.00 0.00 179.01 178.73 1j0g h GLU 46 N 0.67 0.00 -0.26 2.33 4.39 0.66 -0.64 114.58 121.74 1j0g h GLU 46 Ca 0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1j0g h GLU 46 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1j0g h GLU 46 CO -0.39 0.01 0.00 1.19 -1.16 0.00 0.00 179.01 178.66 1j0g n PHE 47 N -3.14 0.32 -3.45 4.33 3.72 0.34 -4.96 117.46 114.63 1j0g n PHE 47 Ca -0.01 -0.18 -0.20 0.00 -0.05 0.00 0.00 57.45 57.01 1j0g n PHE 47 Cb 0.21 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.29 -6.99 -4.17 -1.08 4.81 0.25 -5.01 118.16 107.27 1j0g n LYS 48 Ca 0.16 0.79 -0.13 0.00 -0.87 0.00 0.00 58.31 58.26 1j0g n LYS 48 Cb 0.55 -5.67 -0.10 0.00 0.02 0.00 0.00 35.03 29.82 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 -3.32 0.81 -0.09 3.15 -7.23 -0.52 -5.00 120.40 108.21 1j0g s VAL 49 Ca 0.33 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 1j0g s VAL 49 Cb -0.14 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1j0g s VAL 49 CO 0.68 -0.68 1.23 -2.16 -0.31 0.00 0.00 175.10 173.87 1j0g s PRO 50 N -3.14 4.31 0.19 4.82 0.04 -1.26 -3.53 135.00 136.43 1j0g s PRO 50 Ca 0.07 1.69 0.26 0.00 0.04 0.00 0.00 61.00 63.05 1j0g s PRO 50 Cb -0.00 -3.63 0.67 0.00 0.04 0.00 0.00 34.50 31.58 1j0g s PRO 50 CO -0.02 -0.54 1.65 0.00 0.04 0.00 0.00 177.00 178.13 1j0g n ALA 51 N 5.68 2.46 -0.36 8.56 0.00 -1.26 -3.48 120.51 132.11 1j0g n ALA 51 Ca 0.12 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1j0g n ALA 51 Cb 0.46 -1.39 0.18 0.00 0.00 0.00 0.00 19.45 18.70 1j0g n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g h ALA 52 N 2.51 1.41 -0.88 0.00 0.00 -1.98 -1.85 119.26 118.47 1j0g h ALA 52 Ca 0.00 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 1j0g h ALA 52 Cb 0.74 -0.31 -0.37 0.00 0.00 0.00 0.00 17.79 17.85 1j0g h ALA 52 CO 0.00 0.46 -0.14 0.25 0.00 0.00 0.00 179.25 179.82 1j0g n THR 53 N -4.49 2.97 -4.42 0.00 -2.24 -1.23 -4.91 114.28 99.96 1j0g n THR 53 Ca 0.15 -3.76 -0.26 0.00 -2.27 0.00 0.00 64.05 57.90 1j0g n THR 53 Cb 0.17 -1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 67.13 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 -2.88 3.54 -0.05 3.42 1.04 -0.70 0.29 113.70 118.37 1j0g s SER 54 Ca 0.56 -0.87 -0.26 0.00 0.48 0.00 0.00 55.95 55.85 1j0g s SER 54 Cb 0.45 -0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1j0g s SER 54 CO 0.00 0.10 0.58 0.00 0.98 0.00 0.00 173.24 174.91 1j0g s ALA 55 N -1.84 -1.50 0.04 5.32 0.00 0.24 -4.43 121.76 119.58 1j0g s ALA 55 Ca 0.23 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.36 1j0g s ALA 55 Cb -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1j0g s ALA 55 CO 0.11 -0.34 -0.26 0.42 0.00 0.00 0.00 175.76 175.69 1j0g s ILE 56 N -1.16 2.12 0.12 0.00 1.01 -1.26 0.32 121.20 122.35 1j0g s ILE 56 Ca -0.11 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 1j0g s ILE 56 Cb -0.02 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1j0g s ILE 56 CO 0.08 0.39 0.16 0.27 0.00 0.00 0.00 174.94 175.84 1j0g s ILE 57 N -0.78 0.12 0.37 2.92 -4.36 -1.14 -4.17 121.20 114.15 1j0g s ILE 57 Ca 0.11 -1.52 -0.05 0.00 -0.26 0.00 0.00 60.65 58.94 1j0g s ILE 57 Cb -0.10 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 1j0g s ILE 57 CO 0.02 -0.54 0.65 0.42 0.24 0.00 0.00 174.94 175.73 1j0g s THR 58 N -3.95 4.96 -0.86 8.37 -4.23 0.02 -3.02 115.64 116.93 1j0g s THR 58 Ca 0.14 0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.51 1j0g s THR 58 Cb 0.05 -3.78 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 1j0g s THR 58 CO -0.04 -0.52 2.29 0.21 -0.54 0.00 0.00 174.62 176.02 1j0g s ASN 59 N -3.52 4.00 0.00 3.99 3.84 -1.26 -1.41 114.94 120.58 1j0g s ASN 59 Ca 0.46 -0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.28 1j0g s ASN 59 Cb -0.10 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 1j0g s ASN 59 CO 0.35 -3.86 0.00 -0.67 -2.79 0.00 0.00 177.10 170.12 1j0g n ASP 60 N 18.16 0.00 0.00 -4.21 2.03 -1.26 -4.95 116.55 126.32 1j0g n ASP 60 Ca 0.45 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1j0g n ASP 60 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j0g n GLY 61 N 0.00 1.85 3.43 0.27 0.00 -0.50 -5.12 105.19 105.13 1j0g n GLY 61 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1j0g n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 62 N -2.00 3.40 0.00 -0.61 -1.09 -1.24 -4.96 121.20 114.70 1j0g s ILE 62 Ca 0.00 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1j0g s ILE 62 Cb 0.00 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1j0g s ILE 62 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1j0g n GLY 63 N 3.39 -2.55 2.98 6.18 0.00 -1.26 -0.80 105.19 113.14 1j0g n GLY 63 Ca -0.18 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.71 0.27 -0.35 -0.61 1.01 -1.26 -4.59 121.20 114.96 1j0g s ILE 64 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1j0g s ILE 64 Cb 0.00 -0.34 0.09 0.00 0.01 0.00 0.00 42.46 42.22 1j0g s ILE 64 CO 0.00 -0.28 0.09 0.21 0.00 0.00 0.00 174.94 174.97 1j0g s ASN 65 N -1.03 5.00 -0.21 3.58 2.47 -1.26 -4.98 114.94 118.51 1j0g s ASN 65 Ca -0.08 -1.79 -0.05 0.00 0.42 0.00 0.00 52.86 51.35 1j0g s ASN 65 Cb -0.07 -1.74 -0.18 0.00 -1.45 0.00 0.00 41.25 37.82 1j0g s ASN 65 CO -0.00 -0.40 2.78 -0.81 -3.72 0.00 0.00 177.10 174.95 1j0g n PRO 66 N 4.52 1.72 0.00 0.43 -0.04 -1.26 -3.92 135.00 136.45 1j0g n PRO 66 Ca -0.05 -0.93 0.11 0.00 -0.04 0.00 0.00 63.50 62.59 1j0g n PRO 66 Cb 0.42 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.85 3.94 -2.38 0.55 0.00 -1.26 -4.83 120.51 119.38 1j0g n ALA 67 Ca 0.37 -0.61 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 1j0g n ALA 67 Cb 0.60 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1j0g n ALA 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1j0g s GLN 68 N -2.67 1.55 0.56 0.00 0.00 -1.25 -5.13 119.66 112.71 1j0g s GLN 68 Ca 0.15 -1.85 -0.21 0.00 -0.00 0.00 0.00 55.36 53.45 1j0g s GLN 68 Cb 0.17 -0.51 -0.05 0.00 0.00 0.00 0.00 33.01 32.63 1j0g s GLN 68 CO 0.67 -0.27 1.29 0.25 0.00 0.00 0.00 175.29 177.23 1j0g n THR 69 N -0.58 3.93 -0.26 3.63 -2.24 -1.26 -4.14 114.28 113.36 1j0g n THR 69 Ca -0.01 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1j0g n THR 69 Cb 0.66 -1.56 0.20 0.00 -2.10 0.00 0.00 70.33 67.54 1j0g n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0g h ALA 70 N 1.19 1.01 0.00 6.98 0.00 -0.32 1.61 119.26 129.73 1j0g h ALA 70 Ca -0.50 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1j0g h ALA 70 Cb 1.32 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1j0g h ALA 70 CO 0.56 -0.37 -0.00 0.78 0.00 0.00 0.00 179.25 180.21 1j0g h GLY 71 N 0.24 0.00 0.49 0.00 0.00 -1.82 1.35 103.07 103.33 1j0g h GLY 71 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1j0g h GLY 71 CO -0.56 0.00 -1.10 0.70 0.00 0.00 0.00 176.54 175.57 1j0g n ASN 72 N -3.45 0.60 -0.09 0.19 3.02 0.51 -3.39 115.26 112.64 1j0g n ASN 72 Ca -0.03 -0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.02 1j0g n ASN 72 Cb 0.08 0.91 -0.12 0.00 -0.61 0.00 0.00 39.78 40.04 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j0g n VAL 73 N -1.95 1.58 0.49 2.41 0.31 0.12 -3.14 118.33 118.14 1j0g n VAL 73 Ca 0.02 -0.32 0.08 0.00 -0.01 0.00 0.00 64.34 64.11 1j0g n VAL 73 Cb 0.44 -1.86 0.35 0.00 -0.91 0.00 0.00 33.84 31.85 1j0g n VAL 73 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1j0g n PHE 74 N -4.05 0.15 -0.09 3.52 -1.74 0.43 0.08 117.46 115.76 1j0g n PHE 74 Ca -0.40 0.06 -0.23 0.00 -0.56 0.00 0.00 57.45 56.32 1j0g n PHE 74 Cb 0.85 -0.59 -0.12 0.00 1.52 0.00 0.00 39.48 41.14 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 -1.63 2.02 0.15 5.98 7.94 -1.22 0.35 117.00 130.59 1j0g n LEU 75 Ca 0.03 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 1j0g n LEU 75 Cb 0.18 -0.97 0.20 0.00 0.53 0.00 0.00 43.42 43.37 1j0g n LEU 75 CO 0.15 0.43 0.53 0.07 -1.11 0.00 0.00 177.39 177.46 1j0g h LYS 76 N -0.81 0.00 0.00 1.96 2.10 -1.47 -3.33 116.57 115.03 1j0g h LYS 76 Ca -0.42 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 57.80 1j0g h LYS 76 Cb 1.48 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.75 1j0g h LYS 76 CO -0.19 0.57 -2.39 0.72 -2.00 0.00 0.00 179.45 176.15 1j0g n HIS 77 N -3.76 0.06 0.00 0.07 8.25 0.11 -5.09 115.22 114.87 1j0g n HIS 77 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1j0g n HIS 77 Cb 0.59 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.73 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 1.27 0.64 0.11 -1.41 0.00 0.16 -4.90 105.19 101.05 1j0g n GLY 78 Ca -0.51 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.15 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 0.75 1.65 -4.56 1.61 3.41 -1.21 -4.30 113.62 110.97 1j0g n SER 79 Ca 0.00 -0.09 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 1j0g n SER 79 Cb 0.00 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.46 3.11 0.07 4.33 2.02 -1.26 -1.52 118.70 123.00 1j0g s GLU 80 Ca -0.24 0.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.93 1j0g s GLU 80 Cb 0.07 -4.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 1j0g s GLU 80 CO 0.60 -2.19 0.05 -0.51 0.02 0.00 0.00 175.26 173.23 1j0g s LEU 81 N 6.58 2.09 -0.04 1.80 1.43 -1.06 -4.23 118.68 125.24 1j0g s LEU 81 Ca 0.49 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1j0g s LEU 81 Cb -0.10 0.46 -0.02 0.00 0.03 0.00 0.00 46.19 46.56 1j0g s LEU 81 CO 0.20 -0.66 -0.20 -0.13 0.23 0.00 0.00 176.35 175.79 1j0g s ARG 82 N -3.92 2.41 -0.50 1.70 0.52 -1.17 -3.28 118.95 114.72 1j0g s ARG 82 Ca 0.08 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.30 1j0g s ARG 82 Cb 0.07 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.37 1j0g s ARG 82 CO -0.09 0.54 0.56 -1.50 0.02 0.00 0.00 175.30 174.84 1j0g s ILE 83 N -0.54 4.98 0.15 1.52 2.07 -1.26 -2.87 121.20 125.25 1j0g s ILE 83 Ca 0.07 -0.70 0.05 0.00 -1.41 0.00 0.00 60.65 58.66 1j0g s ILE 83 Cb -0.11 -4.26 -0.04 0.00 0.13 0.00 0.00 42.46 38.18 1j0g s ILE 83 CO 0.01 -0.76 0.13 0.27 -1.91 0.00 0.00 174.94 172.67 1j0g s ILE 84 N 2.34 4.50 0.09 2.00 -5.25 0.15 -4.09 121.20 120.94 1j0g s ILE 84 Ca 0.12 -1.03 -0.30 0.00 -0.99 0.00 0.00 60.65 58.44 1j0g s ILE 84 Cb -0.21 -3.27 -0.06 0.00 2.95 0.00 0.00 42.46 41.86 1j0g s ILE 84 CO 0.10 -0.07 1.15 -2.16 -1.79 0.00 0.00 174.94 172.17 1j0g s PRO 85 N -2.99 4.49 0.16 0.37 0.04 -1.26 0.80 135.00 136.61 1j0g s PRO 85 Ca 0.31 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1j0g s PRO 85 Cb -0.10 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1j0g s PRO 85 CO 0.23 -0.14 1.55 0.00 0.04 0.00 0.00 177.00 178.68 1j0g h ARG 86 N 6.25 -0.19 -4.68 4.56 3.08 -0.38 -3.45 114.38 119.57 1j0g h ARG 86 Ca -0.42 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1j0g h ARG 86 Cb 1.21 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 1j0g h ARG 86 CO 0.78 -0.13 -1.05 -3.47 -1.07 0.00 0.00 179.97 175.03 1j0g n ASP 87 N -5.35 -3.96 -0.05 7.04 2.03 -1.26 -5.03 116.55 109.97 1j0g n ASP 87 Ca 0.01 1.14 -0.06 0.00 0.52 0.00 0.00 54.79 56.39 1j0g n ASP 87 Cb 0.32 -4.52 -0.02 0.00 -0.72 0.00 0.00 41.12 36.18 1j0g n ASP 87 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1j0g n ARG 88 N 0.96 0.36 -2.68 -0.67 3.00 -1.26 -4.99 116.66 111.38 1j0g n ARG 88 Ca -0.16 0.14 -0.05 0.00 -0.01 0.00 0.00 57.85 57.77 1j0g n ARG 88 Cb 0.25 -1.13 0.09 0.00 0.00 0.00 0.00 32.46 31.68 1j0g n ARG 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1j0g n VAL 89 N -4.07 0.00 0.00 1.55 3.14 -1.26 -5.15 118.33 112.54 1j0g n VAL 89 Ca -0.10 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.47 1j0g n VAL 89 Cb 0.36 1.16 0.00 0.00 -1.06 0.00 0.00 33.84 34.29 1j0g n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j0g n GLY 90 N 0.93 2.18 0.01 7.55 0.00 -1.26 -5.10 105.19 109.50 1j0g n GLY 90 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1j0g n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0g n SER 91 N 0.00 0.19 0.00 1.61 7.64 -1.26 -4.93 113.62 116.87 1j0g n SER 91 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1j0g n SER 91 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03