#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 -0.83 -3.82 1.61 3.41 -1.26 -5.03 113.62 107.70 1j0g n SER 2 Ca 0.00 0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1j0g n SER 2 Cb 0.00 -1.29 -0.10 0.00 -0.26 0.00 0.00 64.21 62.56 1j0g n SER 2 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j0g s GLU 3 N -3.36 0.47 -0.29 4.33 0.41 -1.26 -5.16 118.70 113.84 1j0g s GLU 3 Ca 0.65 -0.13 -0.30 0.00 -0.41 0.00 0.00 54.97 54.78 1j0g s GLU 3 Cb -0.30 0.20 0.19 0.00 -1.78 0.00 0.00 34.13 32.45 1j0g s GLU 3 CO 0.59 -0.11 1.36 0.20 -0.49 0.00 0.00 175.26 176.81 1j0g s GLY 4 N -0.92 0.06 -0.28 -1.39 0.00 -1.26 -5.14 107.32 98.39 1j0g s GLY 4 Ca -0.10 2.75 -0.26 0.00 0.00 0.00 0.00 44.72 47.11 1j0g s GLY 4 CO 0.02 1.06 1.29 0.00 0.00 0.00 0.00 173.10 175.47 1j0g s ALA 5 N -1.12 -2.13 1.09 3.20 0.00 -1.26 -5.16 121.76 116.38 1j0g s ALA 5 Ca 0.09 1.75 -0.15 0.00 0.00 0.00 0.00 51.96 53.65 1j0g s ALA 5 Cb -0.01 -1.60 0.16 0.00 0.00 0.00 0.00 23.12 21.67 1j0g s ALA 5 CO -0.07 -0.16 0.53 0.00 0.00 0.00 0.00 175.76 176.05 1j0g n ALA 6 N 1.63 -3.11 -1.49 0.00 0.00 -1.26 -4.75 120.51 111.54 1j0g n ALA 6 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1j0g n ALA 6 Cb 0.57 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1j0g n ALA 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j0g n THR 7 N -4.44 -4.96 -1.41 0.00 -1.04 -1.26 -4.98 114.28 96.18 1j0g n THR 7 Ca 0.04 2.22 0.18 0.00 -2.04 0.00 0.00 64.05 64.44 1j0g n THR 7 Cb 0.57 -3.07 -0.08 0.00 -1.82 0.00 0.00 70.33 65.93 1j0g n THR 7 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1j0g n MET 8 N -0.96 -3.12 -3.68 -2.82 2.00 -1.26 -4.97 117.12 102.30 1j0g n MET 8 Ca 0.00 2.41 -0.12 0.00 0.00 0.00 0.00 57.70 59.99 1j0g n MET 8 Cb 0.02 -3.70 -0.12 0.00 0.00 0.00 0.00 33.22 29.42 1j0g n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1j0g s SER 9 N -7.18 -0.03 0.37 7.83 0.01 -1.26 -4.98 113.70 108.45 1j0g s SER 9 Ca 0.00 0.69 0.08 0.00 1.31 0.00 0.00 55.95 58.02 1j0g s SER 9 Cb 0.00 0.74 -0.04 0.00 0.21 0.00 0.00 66.02 66.94 1j0g s SER 9 CO 0.00 -0.21 0.22 -0.54 0.41 0.00 0.00 173.24 173.12 1j0g s LYS 10 N 2.01 2.45 -0.06 12.44 1.02 -1.26 -2.44 119.74 133.90 1j0g s LYS 10 Ca -0.04 -1.54 -0.00 0.00 0.02 0.00 0.00 55.97 54.41 1j0g s LYS 10 Cb -0.11 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1j0g s LYS 10 CO -0.10 0.01 -0.01 0.14 -0.92 0.00 0.00 175.35 174.47 1j0g s VAL 11 N -2.44 0.39 -0.03 3.17 -7.23 0.30 -4.76 120.40 109.80 1j0g s VAL 11 Ca 0.41 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.45 1j0g s VAL 11 Cb -0.02 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 1j0g s VAL 11 CO 0.24 0.23 0.51 -0.94 -0.31 0.00 0.00 175.10 174.83 1j0g s SER 12 N 1.55 6.84 -0.17 4.85 1.04 -1.26 -3.34 113.70 123.22 1j0g s SER 12 Ca -0.02 1.00 -0.01 0.00 0.48 0.00 0.00 55.95 57.41 1j0g s SER 12 Cb -0.13 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 1j0g s SER 12 CO -0.03 0.14 -0.11 -0.36 0.98 0.00 0.00 173.24 173.86 1j0g s PHE 13 N -0.23 2.85 -0.62 5.02 0.40 -0.98 -4.75 117.98 119.67 1j0g s PHE 13 Ca 0.27 -0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 1j0g s PHE 13 Cb -0.17 -1.94 0.16 0.00 0.51 0.00 0.00 43.02 41.58 1j0g s PHE 13 CO 0.14 -0.41 0.53 0.21 0.70 0.00 0.00 175.22 176.39 1j0g s LYS 14 N 0.85 2.97 0.25 0.44 2.20 0.47 -2.96 119.74 123.95 1j0g s LYS 14 Ca -0.03 -2.09 0.08 0.00 -0.36 0.00 0.00 55.97 53.57 1j0g s LYS 14 Cb -0.15 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 31.98 1j0g s LYS 14 CO 0.00 -1.25 0.06 0.42 -0.36 0.00 0.00 175.35 174.22 1j0g s ILE 15 N 0.82 3.80 -0.02 5.43 1.01 -0.96 -2.51 121.20 128.78 1j0g s ILE 15 Ca 0.11 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 59.09 1j0g s ILE 15 Cb -0.21 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1j0g s ILE 15 CO -0.03 -0.33 -0.06 -0.89 0.00 0.00 0.00 174.94 173.63 1j0g s THR 16 N -2.18 0.53 -0.18 2.92 2.01 -1.12 -0.30 115.64 117.33 1j0g s THR 16 Ca 0.31 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1j0g s THR 16 Cb -0.07 -0.48 -0.00 0.00 0.01 0.00 0.00 72.50 71.95 1j0g s THR 16 CO 0.21 0.17 0.95 -0.22 -0.69 0.00 0.00 174.62 175.04 1j0g s LEU 17 N 0.14 4.16 -0.97 4.42 2.96 -1.14 -2.37 118.68 125.89 1j0g s LEU 17 Ca -0.02 1.33 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 1j0g s LEU 17 Cb -0.06 -3.42 0.30 0.00 0.50 0.00 0.00 46.19 43.51 1j0g s LEU 17 CO -0.00 -0.51 1.36 0.35 -1.32 0.00 0.00 176.35 176.22 1j0g n THR 18 N 4.93 4.75 0.00 3.68 -2.24 -1.24 -4.02 114.28 120.14 1j0g n THR 18 Ca 0.08 -5.79 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 1j0g n THR 18 Cb 0.48 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 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 0.99 0.00 -4.81 3.42 3.41 -1.26 -4.91 113.62 110.47 1j0g n SER 19 Ca 0.29 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.58 1j0g n SER 19 Cb 0.34 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -3.96 6.00 -1.13 4.04 1.11 -1.26 -4.90 116.67 116.57 1j0g s ASP 20 Ca 0.00 1.82 -0.16 0.00 0.18 0.00 0.00 52.55 54.39 1j0g s ASP 20 Cb 0.00 -2.54 -0.07 0.00 1.07 0.00 0.00 42.92 41.39 1j0g s ASP 20 CO 0.00 -1.02 2.17 -0.81 1.18 0.00 0.00 175.17 176.69 1j0g n PRO 21 N -1.73 2.30 0.00 8.23 -0.04 -1.26 -3.27 135.00 139.23 1j0g n PRO 21 Ca 0.09 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1j0g n PRO 21 Cb 0.53 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1j0g n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j0g n ARG 22 N 5.93 0.00 -2.59 0.54 1.74 -1.26 -5.08 116.66 115.94 1j0g n ARG 22 Ca 0.53 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.55 1j0g n ARG 22 Cb 0.34 -0.03 0.03 0.00 -1.02 0.00 0.00 32.46 31.78 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1j0g n LEU 23 N -2.29 -4.72 -4.70 0.55 4.32 -1.20 -4.95 117.00 104.00 1j0g n LEU 23 Ca 0.00 -0.28 -0.42 0.00 -0.02 0.00 0.00 56.01 55.29 1j0g n LEU 23 Cb 0.00 -2.38 -0.03 0.00 -1.62 0.00 0.00 43.42 39.39 1j0g n LEU 23 CO 0.00 -0.29 0.91 -2.16 -1.22 0.00 0.00 177.39 174.63 1j0g s PRO 24 N -3.51 4.40 0.48 3.23 0.04 -1.26 -4.76 135.00 133.62 1j0g s PRO 24 Ca 0.17 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.75 1j0g s PRO 24 Cb -0.02 -3.45 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 1j0g s PRO 24 CO 0.49 -0.34 0.95 1.52 0.04 0.00 0.00 177.00 179.66 1j0g s TYR 25 N 1.60 3.41 0.02 0.56 -0.85 -1.26 -2.89 117.35 117.94 1j0g s TYR 25 Ca 0.57 1.47 0.04 0.00 -0.52 0.00 0.00 57.07 58.63 1j0g s TYR 25 Cb -0.27 -2.77 -0.02 0.00 0.38 0.00 0.00 41.96 39.28 1j0g s TYR 25 CO 0.26 -0.26 -0.12 0.21 -1.52 0.00 0.00 175.55 174.12 1j0g s LYS 26 N -3.78 0.84 -0.32 -3.49 2.36 0.59 -4.99 119.74 110.96 1j0g s LYS 26 Ca 0.59 -0.59 -0.01 0.00 -2.55 0.00 0.00 55.97 53.41 1j0g s LYS 26 Cb -0.10 -0.80 0.11 0.00 -1.05 0.00 0.00 37.83 35.98 1j0g s LYS 26 CO 0.26 0.20 0.12 0.08 1.55 0.00 0.00 175.35 177.56 1j0g s VAL 27 N -0.66 0.73 0.09 4.02 1.01 -1.25 -2.26 120.40 122.09 1j0g s VAL 27 Ca 0.01 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 1j0g s VAL 27 Cb -0.06 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1j0g s VAL 27 CO 0.00 -0.72 0.30 -0.22 0.00 0.00 0.00 175.10 174.46 1j0g s LEU 28 N 1.56 4.32 -0.22 3.92 2.96 -1.16 -4.91 118.68 125.15 1j0g s LEU 28 Ca 0.11 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1j0g s LEU 28 Cb -0.18 -3.09 0.05 0.00 0.50 0.00 0.00 46.19 43.47 1j0g s LEU 28 CO -0.24 0.12 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.40 1j0g s SER 29 N -2.37 3.75 0.09 3.68 0.01 -1.26 -2.32 113.70 115.28 1j0g s SER 29 Ca 0.37 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1j0g s SER 29 Cb -0.13 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 1j0g s SER 29 CO 0.25 -0.20 -0.03 0.68 0.41 0.00 0.00 173.24 174.35 1j0g s VAL 30 N 1.36 0.44 -0.03 3.43 -7.23 -1.21 -4.97 120.40 112.20 1j0g s VAL 30 Ca -0.05 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1j0g s VAL 30 Cb -0.18 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1j0g s VAL 30 CO -0.07 -0.85 1.21 -2.16 -0.31 0.00 0.00 175.10 172.92 1j0g s PRO 31 N -3.90 4.37 0.24 4.82 0.04 -1.26 -0.54 135.00 138.76 1j0g s PRO 31 Ca 0.12 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1j0g s PRO 31 Cb 0.07 -3.51 0.56 0.00 0.04 0.00 0.00 34.50 31.65 1j0g s PRO 31 CO -0.05 -0.41 1.20 -0.85 0.04 0.00 0.00 177.00 176.93 1j0g n GLU 32 N 4.91 -0.06 -0.21 4.56 0.28 -1.02 0.12 120.64 129.22 1j0g n GLU 32 Ca 0.11 1.16 -0.09 0.00 -0.16 0.00 0.00 57.16 58.18 1j0g n GLU 32 Cb 0.46 -1.82 -0.04 0.00 1.43 0.00 0.00 31.44 31.47 1j0g n GLU 32 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1j0g h SER 33 N 0.00 -1.55 -1.85 -1.84 0.87 -1.91 0.51 113.55 107.79 1j0g h SER 33 Ca 0.45 0.25 -0.63 0.00 -1.23 0.00 0.00 61.79 60.63 1j0g h SER 33 Cb 0.91 0.70 0.12 0.00 -0.44 0.00 0.00 62.40 63.69 1j0g h SER 33 CO -0.73 -0.34 -0.31 0.41 -0.53 0.00 0.00 176.83 175.33 1j0g n THR 34 N -5.40 1.85 -2.54 2.23 -1.04 0.33 -3.89 114.28 105.82 1j0g n THR 34 Ca 0.02 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.18 1j0g n THR 34 Cb 0.35 -0.45 -0.04 0.00 -1.82 0.00 0.00 70.33 68.37 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 -1.32 3.91 0.00 -2.82 0.04 -1.26 0.19 135.00 133.75 1j0g s PRO 35 Ca 0.62 1.41 0.17 0.00 0.04 0.00 0.00 61.00 63.25 1j0g s PRO 35 Cb -0.76 -2.24 0.79 0.00 0.04 0.00 0.00 34.50 32.34 1j0g s PRO 35 CO 0.58 -0.34 1.55 0.34 0.04 0.00 0.00 177.00 179.17 1j0g n PHE 36 N -0.68 0.00 0.01 0.56 -0.00 -1.26 -2.57 117.46 113.52 1j0g n PHE 36 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.46 1j0g n PHE 36 Cb 0.52 -0.43 0.11 0.00 -0.00 0.00 0.00 39.48 39.68 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 1.31 -0.07 -2.13 1.03 -1.91 -2.84 112.91 108.30 1j0g h THR 37 Ca 0.00 -1.64 -0.16 0.00 -0.01 0.00 0.00 66.41 64.60 1j0g h THR 37 Cb 0.25 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1j0g h THR 37 CO 0.00 0.51 -0.65 0.00 -0.01 0.00 0.00 175.52 175.37 1j0g h ALA 38 N 1.11 0.76 -0.51 0.00 0.00 -1.90 -3.11 119.26 115.62 1j0g h ALA 38 Ca 0.03 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.45 1j0g h ALA 38 Cb 0.95 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1j0g h ALA 38 CO 0.08 0.75 0.10 0.28 0.00 0.00 0.00 179.25 180.47 1j0g h VAL 39 N 0.20 0.71 -0.15 0.00 2.07 -1.59 0.12 116.25 117.61 1j0g h VAL 39 Ca -0.01 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1j0g h VAL 39 Cb 1.19 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1j0g h VAL 39 CO 0.10 0.04 -0.53 0.25 0.02 0.00 0.00 177.57 177.46 1j0g h LEU 40 N 0.24 -1.68 0.26 2.57 6.46 -1.46 0.84 115.31 122.54 1j0g h LEU 40 Ca 0.25 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.22 1j0g h LEU 40 Cb 0.34 0.66 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 1j0g h LEU 40 CO -0.33 -0.47 -0.40 0.50 -0.62 0.00 0.00 178.44 177.12 1j0g h LYS 41 N -0.56 -0.66 -0.82 1.25 3.64 -1.44 0.42 116.57 118.40 1j0g h LYS 41 Ca 0.04 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.62 1j0g h LYS 41 Cb 0.67 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.49 1j0g h LYS 41 CO -0.44 -0.44 -0.29 0.35 -2.27 0.00 0.00 179.45 176.35 1j0g h PHE 42 N -0.69 -0.74 0.24 1.91 3.04 -0.33 0.51 116.94 120.88 1j0g h PHE 42 Ca -0.03 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1j0g h PHE 42 Cb 0.63 0.45 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 1j0g h PHE 42 CO -0.30 -0.38 -0.42 0.00 -2.02 0.00 0.00 178.31 175.19 1j0g h ALA 43 N 1.50 -0.99 -0.28 2.41 0.00 0.12 -0.48 119.26 121.54 1j0g h ALA 43 Ca 0.35 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1j0g h ALA 43 Cb 0.60 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1j0g h ALA 43 CO -0.85 -1.06 -0.21 0.00 0.00 0.00 0.00 179.25 177.13 1j0g h ALA 44 N -0.88 -0.29 -1.40 0.00 0.00 0.75 1.18 119.26 118.62 1j0g h ALA 44 Ca -0.03 0.03 0.45 0.00 0.00 0.00 0.00 54.91 55.36 1j0g h ALA 44 Cb 0.66 1.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 1j0g h ALA 44 CO -0.15 -0.42 0.93 0.93 0.00 0.00 0.00 179.25 180.53 1j0g h GLU 45 N -0.05 0.07 -0.16 0.00 4.39 -0.78 1.54 114.58 119.60 1j0g h GLU 45 Ca 0.05 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1j0g h GLU 45 Cb 0.17 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1j0g h GLU 45 CO -0.29 0.05 -0.40 0.93 -1.16 0.00 0.00 179.01 178.14 1j0g h GLU 46 N 0.08 0.55 -0.12 2.33 4.39 0.29 -2.90 114.58 119.20 1j0g h GLU 46 Ca 0.82 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1j0g h GLU 46 Cb 2.70 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 31.40 1j0g h GLU 46 CO -0.34 1.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.70 1j0g n PHE 47 N -4.28 0.16 -3.19 4.33 3.72 0.48 -4.92 117.46 113.77 1j0g n PHE 47 Ca -0.07 -0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.14 1j0g n PHE 47 Cb 0.54 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 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 -0.14 -1.71 -3.72 -1.08 4.81 0.14 -5.02 118.16 111.43 1j0g n LYS 48 Ca 0.05 1.52 -0.10 0.00 -0.87 0.00 0.00 58.31 58.91 1j0g n LYS 48 Cb 0.11 -4.69 -0.04 0.00 0.02 0.00 0.00 35.03 30.43 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 -2.73 0.03 -0.02 3.15 -7.23 -1.06 -4.99 120.40 107.55 1j0g s VAL 49 Ca 0.11 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1j0g s VAL 49 Cb -0.02 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1j0g s VAL 49 CO 0.80 -0.15 1.20 -2.16 -0.31 0.00 0.00 175.10 174.48 1j0g s PRO 50 N -3.86 4.38 -0.23 4.82 0.04 -1.26 -3.96 135.00 134.92 1j0g s PRO 50 Ca 0.08 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1j0g s PRO 50 Cb -0.00 -3.50 -0.10 0.00 0.04 0.00 0.00 34.50 30.93 1j0g s PRO 50 CO -0.04 -0.39 3.18 0.00 0.04 0.00 0.00 177.00 179.79 1j0g n ALA 51 N 4.84 6.40 0.00 8.56 0.00 -1.26 -3.61 120.51 135.44 1j0g n ALA 51 Ca 0.10 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1j0g n ALA 51 Cb 0.46 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 1.67 2.95 -1.62 0.00 0.00 -1.26 -4.88 120.51 117.37 1j0g n ALA 52 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 1j0g n ALA 52 Cb 0.73 0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.46 3.44 -4.24 0.00 -2.24 -1.24 -4.66 114.28 102.89 1j0g n THR 53 Ca 0.00 -3.48 -0.13 0.00 -2.27 0.00 0.00 64.05 58.17 1j0g n THR 53 Cb 0.01 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 66.77 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 -0.56 1.13 -0.02 3.42 0.01 -0.43 -2.34 113.70 114.90 1j0g s SER 54 Ca 0.54 -1.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.32 1j0g s SER 54 Cb 0.41 0.14 0.08 0.00 0.21 0.00 0.00 66.02 66.87 1j0g s SER 54 CO -0.27 -0.60 0.75 0.00 0.41 0.00 0.00 173.24 173.53 1j0g s ALA 55 N -3.70 -1.77 0.02 1.44 0.00 0.74 -4.36 121.76 114.13 1j0g s ALA 55 Ca 0.25 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.43 1j0g s ALA 55 Cb 0.06 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1j0g s ALA 55 CO 0.04 -0.48 -0.17 0.42 0.00 0.00 0.00 175.76 175.57 1j0g s ILE 56 N -1.96 2.87 0.28 0.00 1.01 -1.26 -0.61 121.20 121.53 1j0g s ILE 56 Ca -0.05 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 1j0g s ILE 56 Cb -0.00 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1j0g s ILE 56 CO 0.01 0.40 0.40 0.27 0.00 0.00 0.00 174.94 176.02 1j0g s ILE 57 N -0.88 0.00 0.35 2.92 -4.36 -0.90 -3.75 121.20 114.58 1j0g s ILE 57 Ca 0.14 -1.62 0.07 0.00 -0.26 0.00 0.00 60.65 58.98 1j0g s ILE 57 Cb -0.11 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.13 1j0g s ILE 57 CO 0.04 0.00 0.35 0.42 0.24 0.00 0.00 174.94 176.00 1j0g s THR 58 N -3.62 3.49 -0.94 8.37 -4.23 0.15 -2.33 115.64 116.53 1j0g s THR 58 Ca 0.30 -1.27 -0.25 0.00 -1.18 0.00 0.00 61.69 59.28 1j0g s THR 58 Cb 0.01 -3.19 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 1j0g s THR 58 CO 0.15 -0.14 2.12 0.20 -0.54 0.00 0.00 174.62 176.41 1j0g s ASN 59 N -4.07 4.47 0.00 3.99 0.01 -1.26 -1.13 114.94 116.95 1j0g s ASN 59 Ca 0.43 -0.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 1j0g s ASN 59 Cb -0.06 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1j0g s ASN 59 CO 0.28 -3.46 0.00 0.47 -1.51 0.00 0.00 177.10 172.88 1j0g n ASP 60 N 16.38 0.00 0.00 -1.22 8.00 -1.26 -4.93 116.55 133.51 1j0g n ASP 60 Ca 0.43 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1j0g n ASP 60 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.00 2.03 3.56 0.44 0.00 -0.29 -5.09 105.19 105.85 1j0g n GLY 61 Ca 0.00 -0.56 -0.52 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.45 -1.08 -0.61 2.08 -1.26 -4.51 119.36 114.44 1j0g n ILE 62 Ca 0.00 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1j0g n ILE 62 Cb 0.00 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 38.24 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 2.12 -0.38 3.07 7.39 0.00 -1.26 0.29 105.19 116.42 1j0g n GLY 63 Ca 0.17 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.23 0.72 -0.23 -0.61 1.01 -1.25 -4.64 121.20 115.98 1j0g s ILE 64 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1j0g s ILE 64 Cb 0.00 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.82 1j0g s ILE 64 CO 0.00 -0.11 -0.14 0.21 0.00 0.00 0.00 174.94 174.90 1j0g s ASN 65 N -1.04 3.93 -0.21 3.58 2.47 -1.26 -5.00 114.94 117.41 1j0g s ASN 65 Ca -0.03 -1.09 -0.05 0.00 0.42 0.00 0.00 52.86 52.11 1j0g s ASN 65 Cb -0.07 -1.53 -0.18 0.00 -1.45 0.00 0.00 41.25 38.02 1j0g s ASN 65 CO 0.01 -0.11 2.79 -0.81 -3.72 0.00 0.00 177.10 175.25 1j0g n PRO 66 N 4.51 1.72 0.07 0.43 -0.04 -1.26 -4.14 135.00 136.30 1j0g n PRO 66 Ca -0.17 -0.93 -0.03 0.00 -0.04 0.00 0.00 63.50 62.33 1j0g n PRO 66 Cb 0.45 -2.00 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 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 4.08 0.56 -0.58 0.55 0.00 -2.00 -3.46 119.26 118.41 1j0g h ALA 67 Ca 0.23 -0.83 -0.65 0.00 0.00 0.00 0.00 54.91 53.67 1j0g h ALA 67 Cb 0.99 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1j0g h ALA 67 CO 0.52 1.04 -0.47 1.14 0.00 0.00 0.00 179.25 181.47 1j0g s GLN 68 N -2.81 2.19 0.83 0.00 0.00 -1.26 -5.12 119.66 113.49 1j0g s GLN 68 Ca 0.01 -2.26 -0.11 0.00 -0.00 0.00 0.00 55.36 52.99 1j0g s GLN 68 Cb 0.09 -1.69 0.10 0.00 0.00 0.00 0.00 33.01 31.50 1j0g s GLN 68 CO 0.79 -0.38 1.14 0.95 0.00 0.00 0.00 175.29 177.80 1j0g s THR 69 N -2.83 2.53 0.15 3.63 -4.23 -1.26 -4.30 115.64 109.33 1j0g s THR 69 Ca 0.16 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.63 1j0g s THR 69 Cb 0.02 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.42 1j0g s THR 69 CO 0.09 -0.21 1.62 0.00 -0.54 0.00 0.00 174.62 175.59 1j0g h ALA 70 N -1.31 -0.17 -0.02 3.99 0.00 0.43 0.81 119.26 122.99 1j0g h ALA 70 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j0g h ALA 70 Cb 1.26 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1j0g h ALA 70 CO 0.46 -0.69 0.16 0.78 0.00 0.00 0.00 179.25 179.96 1j0g h GLY 71 N -0.27 0.00 0.51 0.00 0.00 -1.35 1.71 103.07 103.67 1j0g h GLY 71 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1j0g h GLY 71 CO -0.40 0.00 -1.29 0.70 0.00 0.00 0.00 176.54 175.55 1j0g n ASN 72 N -3.06 0.52 -0.09 0.19 4.13 0.20 -3.34 115.26 113.80 1j0g n ASN 72 Ca -0.02 -0.05 -0.23 0.00 1.68 0.00 0.00 54.58 55.96 1j0g n ASN 72 Cb 0.23 1.04 -0.12 0.00 -1.54 0.00 0.00 39.78 39.39 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1j0g n VAL 73 N -2.21 1.59 0.41 2.41 0.31 0.25 -3.07 118.33 118.03 1j0g n VAL 73 Ca -0.00 -0.36 0.10 0.00 -0.01 0.00 0.00 64.34 64.07 1j0g n VAL 73 Cb 0.50 -1.83 0.43 0.00 -0.91 0.00 0.00 33.84 32.02 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 -3.96 0.53 -0.07 3.52 -1.74 0.51 -0.26 117.46 115.99 1j0g n PHE 74 Ca -0.40 0.21 -0.22 0.00 -0.56 0.00 0.00 57.45 56.48 1j0g n PHE 74 Cb 0.87 -0.84 -0.12 0.00 1.52 0.00 0.00 39.48 40.91 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 -1.98 2.18 -0.13 5.98 7.94 -1.21 -0.07 117.00 129.71 1j0g n LEU 75 Ca 0.02 0.32 -0.12 0.00 -1.11 0.00 0.00 56.01 55.13 1j0g n LEU 75 Cb 0.20 -1.01 -0.02 0.00 0.53 0.00 0.00 43.42 43.12 1j0g n LEU 75 CO 0.17 0.53 0.67 0.07 -1.11 0.00 0.00 177.39 177.72 1j0g h LYS 76 N -0.59 0.80 0.02 1.96 2.10 -1.43 -3.32 116.57 116.11 1j0g h LYS 76 Ca -0.42 -0.34 -0.25 0.00 -2.00 0.00 0.00 60.65 57.64 1j0g h LYS 76 Cb 1.61 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.88 1j0g h LYS 76 CO -0.12 0.97 -1.34 0.45 -2.00 0.00 0.00 179.45 177.40 1j0g h HIS 77 N 0.60 0.07 0.00 0.07 3.86 -0.81 -3.51 115.15 115.43 1j0g h HIS 77 Ca 0.09 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1j0g h HIS 77 Cb 0.72 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1j0g h HIS 77 CO 0.06 1.53 0.00 0.41 0.86 0.00 0.00 177.93 180.78 1j0g n GLY 78 N 1.51 0.83 1.04 2.45 0.00 0.90 -4.81 105.19 107.12 1j0g n GLY 78 Ca -0.32 -2.22 0.11 0.00 0.00 0.00 0.00 46.02 43.59 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 0.83 3.24 -4.08 1.61 3.41 -1.15 -4.35 113.62 113.12 1j0g n SER 79 Ca 0.00 -1.96 -0.33 0.00 -0.26 0.00 0.00 58.87 56.33 1j0g n SER 79 Cb 0.00 -0.18 -0.15 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.52 2.19 0.25 4.33 2.02 -1.26 0.18 118.70 124.89 1j0g s GLU 80 Ca 0.34 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.93 1j0g s GLU 80 Cb 0.21 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1j0g s GLU 80 CO 0.29 -0.63 0.33 1.28 0.02 0.00 0.00 175.26 176.55 1j0g n LEU 81 N 4.45 0.00 -4.05 1.80 4.77 -1.04 -4.62 117.00 118.31 1j0g n LEU 81 Ca -0.12 -2.14 -0.15 0.00 -0.03 0.00 0.00 56.01 53.57 1j0g n LEU 81 Cb 0.42 1.73 -0.13 0.00 -2.33 0.00 0.00 43.42 43.11 1j0g n LEU 81 CO 0.22 -0.46 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.28 1j0g s ARG 82 N -2.67 0.59 -0.39 3.23 0.52 -0.98 -2.78 118.95 116.46 1j0g s ARG 82 Ca 0.23 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.72 1j0g s ARG 82 Cb -0.00 -0.48 0.04 0.00 0.52 0.00 0.00 34.95 35.03 1j0g s ARG 82 CO 0.16 0.11 0.24 -1.50 0.02 0.00 0.00 175.30 174.33 1j0g s ILE 83 N -0.91 4.65 0.17 1.52 2.07 -1.00 -2.12 121.20 125.59 1j0g s ILE 83 Ca -0.04 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.34 1j0g s ILE 83 Cb -0.07 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.83 1j0g s ILE 83 CO 0.00 -0.31 0.04 0.27 -1.91 0.00 0.00 174.94 173.04 1j0g s ILE 84 N 1.56 3.96 0.16 2.00 -5.25 0.22 -3.66 121.20 120.19 1j0g s ILE 84 Ca 0.02 -1.32 -0.30 0.00 -0.99 0.00 0.00 60.65 58.07 1j0g s ILE 84 Cb -0.20 -3.00 -0.07 0.00 2.95 0.00 0.00 42.46 42.13 1j0g s ILE 84 CO 0.06 -0.11 1.13 -2.16 -1.79 0.00 0.00 174.94 172.07 1j0g s PRO 85 N -3.00 4.55 -0.28 0.37 0.04 -1.26 -0.19 135.00 135.23 1j0g s PRO 85 Ca 0.29 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1j0g s PRO 85 Cb -0.09 -3.28 0.10 0.00 0.04 0.00 0.00 34.50 31.27 1j0g s PRO 85 CO 0.20 0.00 0.82 0.50 0.04 0.00 0.00 177.00 178.56 1j0g s ARG 86 N -0.15 0.60 -0.25 4.56 3.52 -0.99 -4.80 118.95 121.44 1j0g s ARG 86 Ca 0.51 0.96 -0.00 0.00 -0.13 0.00 0.00 55.73 57.07 1j0g s ARG 86 Cb -0.30 0.16 0.07 0.00 -1.56 0.00 0.00 34.95 33.33 1j0g s ARG 86 CO 0.34 -0.11 0.01 0.34 -0.81 0.00 0.00 175.30 175.07 1j0g s ASP 87 N 1.26 3.78 -0.12 -2.12 2.15 -1.26 -1.32 116.67 119.04 1j0g s ASP 87 Ca -0.07 -1.30 -0.05 0.00 0.43 0.00 0.00 52.55 51.55 1j0g s ASP 87 Cb -0.05 -1.02 -0.02 0.00 -0.30 0.00 0.00 42.92 41.53 1j0g s ASP 87 CO -0.15 -0.31 -0.11 0.03 -0.17 0.00 0.00 175.17 174.47 1j0g h ARG 88 N 8.02 0.00 0.00 4.34 3.08 -1.94 -3.49 114.38 124.39 1j0g h ARG 88 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1j0g h ARG 88 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1j0g h ARG 88 CO 0.42 0.00 0.00 1.55 -1.07 0.00 0.00 179.97 180.87 1j0g n VAL 89 N -4.60 0.00 0.00 2.04 3.14 -1.26 -5.17 118.33 112.48 1j0g n VAL 89 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1j0g n VAL 89 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 -1.41 -2.12 2.90 7.55 0.00 -1.26 -5.05 105.19 105.81 1j0g n GLY 90 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.30 0.68 0.00 1.61 0.15 -1.26 -5.25 113.70 107.33 1j0g s SER 91 Ca 0.00 0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1j0g s SER 91 Cb 0.00 0.68 0.18 0.00 -1.71 0.00 0.00 66.02 65.17 1j0g s SER 91 CO 0.00 -0.28 0.66 0.00 1.20 0.00 0.00 173.24 174.82