#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 -2.54 -4.74 1.61 7.64 -1.26 -4.93 113.62 109.40 1j0g n SER 2 Ca 0.00 -0.06 -0.37 0.00 1.01 0.00 0.00 58.87 59.45 1j0g n SER 2 Cb 0.00 -0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 1j0g n SER 2 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1j0g s GLU 3 N -3.19 4.25 -0.09 1.43 2.12 -1.26 -5.06 118.70 116.91 1j0g s GLU 3 Ca 0.52 0.27 -0.03 0.00 0.36 0.00 0.00 54.97 56.10 1j0g s GLU 3 Cb -0.09 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.94 1j0g s GLU 3 CO 0.67 0.25 0.10 0.20 -0.54 0.00 0.00 175.26 175.94 1j0g s GLY 4 N 0.38 0.18 0.01 -1.50 0.00 -1.26 -5.03 107.32 100.10 1j0g s GLY 4 Ca 0.21 0.20 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 1j0g s GLY 4 CO 0.07 1.58 0.00 0.00 0.00 0.00 0.00 173.10 174.75 1j0g n ALA 5 N 5.30 -2.26 -1.85 3.20 0.00 -1.26 -4.70 120.51 118.96 1j0g n ALA 5 Ca -0.04 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1j0g n ALA 5 Cb 0.50 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1j0g n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n ALA 6 N 1.44 3.96 -4.05 0.00 0.00 -1.26 -4.85 120.51 115.75 1j0g n ALA 6 Ca -0.01 -3.61 -0.32 0.00 0.00 0.00 0.00 53.44 49.51 1j0g n ALA 6 Cb 0.01 -3.57 -0.15 0.00 0.00 0.00 0.00 19.45 15.74 1j0g n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j0g s THR 7 N 5.06 2.13 -0.13 0.00 -4.23 -1.26 -5.09 115.64 112.11 1j0g s THR 7 Ca 0.54 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1j0g s THR 7 Cb 0.09 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.64 1j0g s THR 7 CO 0.04 -0.14 -0.20 -0.32 -0.54 0.00 0.00 174.62 173.46 1j0g s MET 8 N 1.09 2.76 -0.33 3.99 1.75 -1.26 -5.08 119.30 122.23 1j0g s MET 8 Ca -0.05 -0.76 -0.02 0.00 -1.25 0.00 0.00 55.69 53.62 1j0g s MET 8 Cb -0.20 -2.27 0.12 0.00 2.84 0.00 0.00 34.83 35.33 1j0g s MET 8 CO -0.06 -0.05 0.18 -1.54 -0.65 0.00 0.00 175.02 172.91 1j0g s SER 9 N 0.91 3.17 0.29 1.11 1.04 -1.26 -5.13 113.70 113.85 1j0g s SER 9 Ca -0.06 -1.80 0.05 0.00 0.48 0.00 0.00 55.95 54.62 1j0g s SER 9 Cb -0.15 -0.36 -0.06 0.00 0.10 0.00 0.00 66.02 65.55 1j0g s SER 9 CO -0.03 -0.36 -0.01 -0.54 0.98 0.00 0.00 173.24 173.28 1j0g s LYS 10 N 1.51 1.58 0.07 4.02 1.02 -1.26 -2.83 119.74 123.84 1j0g s LYS 10 Ca 0.14 -1.83 0.04 0.00 0.02 0.00 0.00 55.97 54.35 1j0g s LYS 10 Cb -0.20 -1.02 -0.03 0.00 -0.52 0.00 0.00 37.83 36.06 1j0g s LYS 10 CO -0.15 -0.06 -0.12 0.14 -0.92 0.00 0.00 175.35 174.24 1j0g s VAL 11 N -3.14 0.97 -0.15 3.17 -7.23 0.22 -4.81 120.40 109.43 1j0g s VAL 11 Ca 0.32 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1j0g s VAL 11 Cb 0.06 -0.98 -0.00 0.00 0.56 0.00 0.00 36.38 36.02 1j0g s VAL 11 CO 0.13 -0.28 -0.16 -0.94 -0.31 0.00 0.00 175.10 173.54 1j0g s SER 12 N -1.75 3.67 -0.26 4.85 1.04 -1.26 -2.26 113.70 117.73 1j0g s SER 12 Ca -0.03 -0.46 -0.10 0.00 0.48 0.00 0.00 55.95 55.84 1j0g s SER 12 Cb -0.10 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 1j0g s SER 12 CO 0.02 0.10 0.14 -0.36 0.98 0.00 0.00 173.24 174.12 1j0g s PHE 13 N 0.72 3.20 -0.67 5.02 0.08 -0.91 -4.81 117.98 120.61 1j0g s PHE 13 Ca -0.07 -0.03 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 1j0g s PHE 13 Cb -0.16 -2.29 0.17 0.00 -0.57 0.00 0.00 43.02 40.17 1j0g s PHE 13 CO 0.01 -0.15 0.61 0.15 -0.10 0.00 0.00 175.22 175.74 1j0g s LYS 14 N 1.48 3.23 0.05 0.44 1.02 -1.12 -2.92 119.74 121.93 1j0g s LYS 14 Ca 0.07 -2.07 0.09 0.00 0.02 0.00 0.00 55.97 54.08 1j0g s LYS 14 Cb -0.15 -4.33 -0.03 0.00 -0.52 0.00 0.00 37.83 32.80 1j0g s LYS 14 CO 0.07 -1.30 -0.25 0.42 -0.92 0.00 0.00 175.35 173.37 1j0g s ILE 15 N 0.91 2.01 -0.07 2.17 1.01 -0.91 -2.28 121.20 124.03 1j0g s ILE 15 Ca 0.10 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.42 1j0g s ILE 15 Cb -0.21 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1j0g s ILE 15 CO -0.03 0.29 -0.19 -0.89 0.00 0.00 0.00 174.94 174.12 1j0g s THR 16 N -0.83 1.66 0.12 2.92 2.01 -1.25 0.18 115.64 120.45 1j0g s THR 16 Ca 0.11 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 60.99 1j0g s THR 16 Cb -0.10 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 1j0g s THR 16 CO 0.02 0.47 1.59 -0.22 -0.69 0.00 0.00 174.62 175.80 1j0g s LEU 17 N 0.31 4.37 -0.59 4.42 2.96 -1.03 -3.98 118.68 125.14 1j0g s LEU 17 Ca -0.13 2.55 -0.05 0.00 -0.22 0.00 0.00 54.13 56.28 1j0g s LEU 17 Cb -0.16 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.11 1j0g s LEU 17 CO 0.05 -0.84 0.42 0.42 -1.32 0.00 0.00 176.35 175.09 1j0g s THR 18 N 1.77 3.88 0.13 3.68 -4.23 -1.26 -4.04 115.64 115.56 1j0g s THR 18 Ca 0.71 -2.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1j0g s THR 18 Cb -0.42 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1j0g s THR 18 CO 0.32 -0.85 0.00 -1.54 -0.54 0.00 0.00 174.62 172.00 1j0g n SER 19 N 3.85 -1.15 -4.84 3.99 3.41 -1.26 -4.96 113.62 112.67 1j0g n SER 19 Ca 0.05 0.39 -0.32 0.00 -0.26 0.00 0.00 58.87 58.73 1j0g n SER 19 Cb 0.40 1.32 -0.04 0.00 -0.26 0.00 0.00 64.21 65.62 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 -1.55 6.69 -1.10 4.04 1.11 -1.26 -4.93 116.67 119.68 1j0g s ASP 20 Ca 0.00 1.59 -0.18 0.00 0.18 0.00 0.00 52.55 54.14 1j0g s ASP 20 Cb 0.00 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.41 1j0g s ASP 20 CO 0.00 -0.53 2.08 -0.81 1.18 0.00 0.00 175.17 177.09 1j0g n PRO 21 N -1.37 2.16 0.00 8.23 -0.04 -1.26 -3.24 135.00 139.48 1j0g n PRO 21 Ca 0.07 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1j0g n PRO 21 Cb 0.54 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 6.48 0.00 -3.20 0.54 1.74 -1.26 -5.08 116.66 115.89 1j0g n ARG 22 Ca 0.51 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.49 1j0g n ARG 22 Cb 0.39 -0.05 0.04 0.00 -1.02 0.00 0.00 32.46 31.82 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 -1.98 -5.96 -4.65 0.55 7.99 -1.20 -4.90 117.00 106.84 1j0g n LEU 23 Ca 0.00 -0.46 -0.43 0.00 -0.01 0.00 0.00 56.01 55.11 1j0g n LEU 23 Cb 0.00 -3.20 -0.02 0.00 -0.11 0.00 0.00 43.42 40.08 1j0g n LEU 23 CO 0.00 -0.39 1.11 -2.16 -1.51 0.00 0.00 177.39 174.44 1j0g s PRO 24 N -3.88 4.16 0.61 3.23 0.04 -1.26 -4.74 135.00 133.15 1j0g s PRO 24 Ca 0.26 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 1j0g s PRO 24 Cb -0.04 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 1j0g s PRO 24 CO 0.75 -0.81 1.09 1.52 0.04 0.00 0.00 177.00 179.59 1j0g s TYR 25 N 3.73 2.78 0.05 0.56 1.13 -1.26 -2.47 117.35 121.88 1j0g s TYR 25 Ca 0.56 1.54 0.05 0.00 -1.41 0.00 0.00 57.07 57.80 1j0g s TYR 25 Cb -0.21 -3.12 -0.03 0.00 -1.10 0.00 0.00 41.96 37.50 1j0g s TYR 25 CO 0.17 -1.43 -0.14 0.21 -2.51 0.00 0.00 175.55 171.85 1j0g s LYS 26 N -3.95 0.85 -0.33 -3.49 2.36 0.49 -4.93 119.74 110.74 1j0g s LYS 26 Ca 0.66 -0.85 -0.02 0.00 -2.55 0.00 0.00 55.97 53.22 1j0g s LYS 26 Cb -0.19 -0.86 0.12 0.00 -1.05 0.00 0.00 37.83 35.85 1j0g s LYS 26 CO 0.37 0.20 0.16 0.08 1.55 0.00 0.00 175.35 177.71 1j0g s VAL 27 N -1.07 0.29 -0.05 4.02 1.01 -1.23 -2.15 120.40 121.22 1j0g s VAL 27 Ca -0.01 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 1j0g s VAL 27 Cb -0.09 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1j0g s VAL 27 CO 0.02 -0.82 0.38 -0.76 0.00 0.00 0.00 175.10 173.92 1j0g s LEU 28 N 1.54 4.41 -0.26 3.92 1.43 -1.15 -4.87 118.68 123.70 1j0g s LEU 28 Ca 0.13 0.84 -0.03 0.00 -1.03 0.00 0.00 54.13 54.04 1j0g s LEU 28 Cb -0.19 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1j0g s LEU 28 CO -0.20 0.25 -0.01 -0.55 0.23 0.00 0.00 176.35 176.07 1j0g s SER 29 N -0.61 4.59 0.10 2.29 0.15 -1.26 -2.13 113.70 116.82 1j0g s SER 29 Ca 0.22 -0.78 -0.07 0.00 0.70 0.00 0.00 55.95 56.02 1j0g s SER 29 Cb -0.16 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1j0g s SER 29 CO 0.11 -0.14 0.15 0.68 1.20 0.00 0.00 173.24 175.24 1j0g s VAL 30 N 1.39 0.14 0.50 4.45 -7.23 -0.96 -4.96 120.40 113.74 1j0g s VAL 30 Ca 0.01 -1.38 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 1j0g s VAL 30 Cb -0.17 -1.49 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 1j0g s VAL 30 CO -0.02 -0.65 1.04 -2.16 -0.31 0.00 0.00 175.10 173.00 1j0g s PRO 31 N -3.90 3.74 0.10 4.82 0.04 -1.26 0.73 135.00 139.26 1j0g s PRO 31 Ca 0.08 1.33 -0.33 0.00 0.04 0.00 0.00 61.00 62.13 1j0g s PRO 31 Cb 0.05 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 1j0g s PRO 31 CO -0.08 -0.48 1.59 0.93 0.04 0.00 0.00 177.00 179.00 1j0g h GLU 32 N 1.39 -0.79 -0.90 4.56 5.08 -1.84 -2.79 114.58 119.30 1j0g h GLU 32 Ca -0.49 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1j0g h GLU 32 Cb 1.22 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.54 1j0g h GLU 32 CO 0.59 -0.53 -0.51 0.43 -1.00 0.00 0.00 179.01 178.00 1j0g n SER 33 N -5.50 -0.91 -4.18 1.42 7.64 -1.26 -1.15 113.62 109.68 1j0g n SER 33 Ca -0.10 1.60 -0.42 0.00 1.01 0.00 0.00 58.87 60.95 1j0g n SER 33 Cb 0.40 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 -5.15 1.06 -1.81 0.44 -1.04 -1.05 -3.78 114.28 102.94 1j0g n THR 34 Ca 0.03 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.05 61.24 1j0g n THR 34 Cb 0.25 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.79 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 -0.96 3.16 -0.01 -2.82 0.04 -1.26 0.19 135.00 133.32 1j0g s PRO 35 Ca 0.59 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1j0g s PRO 35 Cb -0.71 -2.02 -0.32 0.00 0.04 0.00 0.00 34.50 31.50 1j0g s PRO 35 CO 0.58 -0.93 0.81 0.35 0.04 0.00 0.00 177.00 177.85 1j0g h PHE 36 N -0.16 0.74 -1.40 0.56 3.04 -1.85 -3.32 116.94 114.56 1j0g h PHE 36 Ca -0.45 -0.54 0.43 0.00 3.98 0.00 0.00 57.97 61.39 1j0g h PHE 36 Cb 1.21 -0.03 -0.11 0.00 2.56 0.00 0.00 35.95 39.59 1j0g h PHE 36 CO 0.61 1.59 0.94 0.00 -2.02 0.00 0.00 178.31 179.42 1j0g h THR 37 N 0.11 0.18 -0.09 4.41 1.03 -1.92 1.14 112.91 117.76 1j0g h THR 37 Ca -0.30 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 66.04 1j0g h THR 37 Cb 2.10 0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 69.26 1j0g h THR 37 CO 0.20 0.02 -0.05 0.00 -0.01 0.00 0.00 175.52 175.68 1j0g h ALA 38 N 1.47 0.13 -1.15 0.00 0.00 -1.98 -2.90 119.26 114.83 1j0g h ALA 38 Ca 0.79 -0.25 0.43 0.00 0.00 0.00 0.00 54.91 55.87 1j0g h ALA 38 Cb 2.65 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 20.25 1j0g h ALA 38 CO -0.28 -0.09 0.68 0.28 0.00 0.00 0.00 179.25 179.84 1j0g h VAL 39 N -0.18 0.05 0.44 0.00 2.07 0.12 0.52 116.25 119.27 1j0g h VAL 39 Ca 0.02 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1j0g h VAL 39 Cb 0.52 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1j0g h VAL 39 CO 0.01 0.01 -0.40 0.25 0.02 0.00 0.00 177.57 177.46 1j0g h LEU 40 N 0.05 -1.09 0.19 2.57 7.12 -1.29 1.19 115.31 124.06 1j0g h LEU 40 Ca 0.84 0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.95 1j0g h LEU 40 Cb 2.39 0.35 -0.04 0.00 -0.53 0.00 0.00 40.66 42.84 1j0g h LEU 40 CO -0.62 -0.54 -0.42 0.50 -0.13 0.00 0.00 178.44 177.23 1j0g h LYS 41 N -0.83 -0.68 -0.68 1.25 3.64 -0.14 0.16 116.57 119.29 1j0g h LYS 41 Ca -0.06 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 1j0g h LYS 41 Cb 0.71 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.58 1j0g h LYS 41 CO -0.03 -0.45 0.11 0.35 -2.27 0.00 0.00 179.45 177.16 1j0g h PHE 42 N -0.70 0.15 0.57 1.91 3.04 -0.80 0.19 116.94 121.30 1j0g h PHE 42 Ca 0.01 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1j0g h PHE 42 Cb 0.70 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1j0g h PHE 42 CO -0.33 -0.11 -0.42 0.00 -2.02 0.00 0.00 178.31 175.42 1j0g h ALA 43 N 1.58 -1.01 -0.40 2.41 0.00 0.23 -0.76 119.26 121.31 1j0g h ALA 43 Ca 0.37 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1j0g h ALA 43 Cb 0.62 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1j0g h ALA 43 CO -0.51 -1.09 -0.35 0.00 0.00 0.00 0.00 179.25 177.30 1j0g h ALA 44 N -0.70 -0.24 -0.24 0.00 0.00 0.31 1.17 119.26 119.56 1j0g h ALA 44 Ca -0.07 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1j0g h ALA 44 Cb 0.80 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1j0g h ALA 44 CO 0.02 -0.76 0.40 0.93 0.00 0.00 0.00 179.25 179.85 1j0g h GLU 45 N -0.27 0.00 0.19 0.00 5.08 -0.37 0.40 114.58 119.61 1j0g h GLU 45 Ca 0.16 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.20 1j0g h GLU 45 Cb 0.55 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.84 1j0g h GLU 45 CO -0.55 0.00 -1.37 1.49 -1.00 0.00 0.00 179.01 177.58 1j0g h GLU 46 N 0.00 0.59 -0.63 2.33 4.22 0.28 -3.20 114.58 118.17 1j0g h GLU 46 Ca 0.11 -0.89 0.00 0.00 0.08 0.00 0.00 59.36 58.66 1j0g h GLU 46 Cb 0.92 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1j0g h GLU 46 CO -0.00 1.42 0.00 1.19 -2.18 0.00 0.00 179.01 179.44 1j0g n PHE 47 N -3.75 0.83 -3.65 0.92 3.72 0.12 -4.91 117.46 110.73 1j0g n PHE 47 Ca -0.15 -0.32 -0.29 0.00 -0.05 0.00 0.00 57.45 56.64 1j0g n PHE 47 Cb 1.05 -0.19 0.04 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.42 -1.21 -4.11 -1.08 4.01 -0.11 -4.99 118.16 111.08 1j0g n LYS 48 Ca 0.13 0.55 -0.09 0.00 -0.51 0.00 0.00 58.31 58.39 1j0g n LYS 48 Cb 0.56 -4.04 -0.10 0.00 -0.51 0.00 0.00 35.03 30.95 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 -3.39 0.13 0.19 -0.18 -7.23 -0.68 -5.01 120.40 104.23 1j0g s VAL 49 Ca 0.40 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1j0g s VAL 49 Cb -0.15 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 1j0g s VAL 49 CO 0.86 -0.59 1.11 -2.16 -0.31 0.00 0.00 175.10 174.01 1j0g s PRO 50 N -4.00 4.59 -0.68 4.82 0.04 -1.26 -4.00 135.00 134.50 1j0g s PRO 50 Ca 0.19 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1j0g s PRO 50 Cb 0.07 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1j0g s PRO 50 CO -0.02 0.07 2.82 0.00 0.04 0.00 0.00 177.00 179.92 1j0g n ALA 51 N 2.23 6.61 0.07 8.56 0.00 -1.26 -3.88 120.51 132.84 1j0g n ALA 51 Ca 0.02 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1j0g n ALA 51 Cb 0.46 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 1.51 3.00 -0.94 0.00 0.00 -1.26 -4.86 120.51 117.96 1j0g n ALA 52 Ca 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.79 1j0g n ALA 52 Cb 0.51 0.02 0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.98 2.86 -3.97 0.00 -2.24 -1.25 -4.59 114.28 102.11 1j0g n THR 53 Ca 0.00 -1.79 -0.09 0.00 -2.27 0.00 0.00 64.05 59.90 1j0g n THR 53 Cb 0.01 -1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 66.81 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 0.01 0.22 0.19 3.42 0.01 -1.26 -2.46 113.70 113.84 1j0g s SER 54 Ca 0.34 -0.49 -0.23 0.00 1.31 0.00 0.00 55.95 56.88 1j0g s SER 54 Cb 0.27 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.68 1j0g s SER 54 CO -0.01 -0.35 0.74 0.00 0.41 0.00 0.00 173.24 174.03 1j0g s ALA 55 N -1.71 -1.47 -0.04 1.44 0.00 0.20 -4.41 121.76 115.78 1j0g s ALA 55 Ca -0.13 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1j0g s ALA 55 Cb -0.08 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1j0g s ALA 55 CO -0.01 -0.92 -0.19 0.42 0.00 0.00 0.00 175.76 175.05 1j0g s ILE 56 N -3.69 2.61 0.14 0.00 1.01 -1.26 -0.42 121.20 119.60 1j0g s ILE 56 Ca 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1j0g s ILE 56 Cb -0.03 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1j0g s ILE 56 CO -0.01 0.59 0.00 0.27 0.00 0.00 0.00 174.94 175.79 1j0g s ILE 57 N -0.68 0.46 0.67 2.92 -4.36 -1.05 -3.73 121.20 115.44 1j0g s ILE 57 Ca 0.11 -1.93 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 1j0g s ILE 57 Cb -0.10 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.65 1j0g s ILE 57 CO -0.00 -0.59 1.05 0.42 0.24 0.00 0.00 174.94 176.06 1j0g s THR 58 N -3.79 3.66 0.22 8.37 -4.23 0.17 -3.27 115.64 116.77 1j0g s THR 58 Ca 0.20 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 1j0g s THR 58 Cb 0.07 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.56 1j0g s THR 58 CO 0.00 -0.65 1.87 0.78 -0.54 0.00 0.00 174.62 176.08 1j0g h ASN 59 N -0.52 0.86 0.00 3.99 4.21 -1.88 0.19 115.58 122.42 1j0g h ASN 59 Ca -0.45 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1j0g h ASN 59 Cb 1.25 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1j0g h ASN 59 CO 0.63 0.60 0.09 -0.78 -1.29 0.00 0.00 177.43 176.68 1j0g h ASP 60 N 1.01 0.00 -0.86 5.81 1.82 -1.97 -3.45 116.42 118.78 1j0g h ASP 60 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1j0g h ASP 60 Cb -0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1j0g h ASP 60 CO -0.09 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.15 1j0g n GLY 61 N -1.12 0.62 2.89 -0.78 0.00 0.66 -5.11 105.19 102.35 1j0g n GLY 61 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.94 0.14 1.18 -0.61 1.01 -1.23 -4.89 121.20 114.86 1j0g s ILE 62 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 1j0g s ILE 62 Cb 0.00 -0.14 0.24 0.00 0.01 0.00 0.00 42.46 42.58 1j0g s ILE 62 CO 0.00 0.05 0.68 0.61 0.00 0.00 0.00 174.94 176.28 1j0g n GLY 63 N 3.16 -2.29 3.34 6.18 0.00 -1.26 0.45 105.19 114.77 1j0g n GLY 63 Ca -0.14 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.33 2.17 -0.41 -0.61 1.01 -1.24 -4.63 121.20 115.16 1j0g s ILE 64 Ca 0.65 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 1j0g s ILE 64 Cb -0.21 -1.82 0.09 0.00 0.01 0.00 0.00 42.46 40.53 1j0g s ILE 64 CO 0.66 0.44 0.22 0.21 0.00 0.00 0.00 174.94 176.47 1j0g s ASN 65 N -1.03 5.45 -0.18 3.58 2.47 -1.26 -4.97 114.94 119.00 1j0g s ASN 65 Ca 0.11 -1.65 -0.05 0.00 0.42 0.00 0.00 52.86 51.70 1j0g s ASN 65 Cb -0.10 -1.91 -0.18 0.00 -1.45 0.00 0.00 41.25 37.60 1j0g s ASN 65 CO 0.01 -0.52 2.78 -0.81 -3.72 0.00 0.00 177.10 174.85 1j0g n PRO 66 N 4.80 1.68 0.14 0.43 -0.04 -1.26 -4.13 135.00 136.62 1j0g n PRO 66 Ca -0.08 -0.90 0.07 0.00 -0.04 0.00 0.00 63.50 62.55 1j0g n PRO 66 Cb 0.42 -1.98 0.05 0.00 -0.04 0.00 0.00 33.50 31.96 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 4.05 0.74 -0.44 0.55 0.00 -2.00 -3.46 119.26 118.71 1j0g h ALA 67 Ca 0.22 -0.26 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 1j0g h ALA 67 Cb 1.00 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1j0g h ALA 67 CO 0.49 0.32 -0.43 1.14 0.00 0.00 0.00 179.25 180.77 1j0g s GLN 68 N -3.13 2.22 0.62 0.00 0.00 -1.26 -5.11 119.66 113.00 1j0g s GLN 68 Ca 0.03 -2.25 -0.18 0.00 -0.00 0.00 0.00 55.36 52.96 1j0g s GLN 68 Cb 0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 33.01 31.30 1j0g s GLN 68 CO 0.74 -0.46 1.20 0.95 0.00 0.00 0.00 175.29 177.71 1j0g s THR 69 N -2.84 2.65 0.21 3.63 -4.23 -1.26 -4.42 115.64 109.38 1j0g s THR 69 Ca 0.17 0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 1j0g s THR 69 Cb 0.00 -3.09 0.22 0.00 1.34 0.00 0.00 72.50 70.97 1j0g s THR 69 CO 0.10 -0.11 1.62 0.00 -0.54 0.00 0.00 174.62 175.69 1j0g h ALA 70 N 0.66 0.33 -0.07 3.99 0.00 0.33 1.65 119.26 126.15 1j0g h ALA 70 Ca -0.50 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1j0g h ALA 70 Cb 1.29 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1j0g h ALA 70 CO 0.54 -0.47 0.16 0.78 0.00 0.00 0.00 179.25 180.26 1j0g h GLY 71 N -0.04 0.00 0.42 0.00 0.00 -1.30 1.63 103.07 103.79 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 -0.66 0.00 -1.20 0.70 0.00 0.00 0.00 176.54 175.38 1j0g n ASN 72 N -3.38 0.56 -0.09 0.19 3.02 0.50 -3.49 115.26 112.57 1j0g n ASN 72 Ca -0.01 -0.25 -0.23 0.00 -0.03 0.00 0.00 54.58 54.06 1j0g n ASN 72 Cb 0.24 1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 40.32 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 -1.99 1.58 0.36 2.41 0.31 0.24 -3.00 118.33 118.23 1j0g n VAL 73 Ca 0.01 -0.28 0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1j0g n VAL 73 Cb 0.45 -1.89 0.42 0.00 -0.91 0.00 0.00 33.84 31.91 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 -4.10 0.51 -0.07 3.52 -1.74 0.50 -0.56 117.46 115.51 1j0g n PHE 74 Ca -0.39 0.21 -0.06 0.00 -0.56 0.00 0.00 57.45 56.66 1j0g n PHE 74 Cb 0.83 -0.85 -0.02 0.00 1.52 0.00 0.00 39.48 40.97 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 1.82 0.33 5.98 0.00 -1.23 -0.75 117.00 121.17 1j0g n LEU 75 Ca 0.02 0.61 -0.17 0.00 0.00 0.00 0.00 56.01 56.47 1j0g n LEU 75 Cb 0.17 -0.87 -0.09 0.00 0.00 0.00 0.00 43.42 42.63 1j0g n LEU 75 CO 0.15 -0.43 0.62 0.50 0.00 0.00 0.00 177.39 178.23 1j0g h LYS 76 N -1.00 -0.86 -0.06 1.96 3.64 -1.49 -3.16 116.57 115.60 1j0g h LYS 76 Ca -0.02 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1j0g h LYS 76 Cb 0.57 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1j0g h LYS 76 CO -0.01 -0.58 -0.13 0.45 -2.27 0.00 0.00 179.45 176.91 1j0g h HIS 77 N -0.90 0.25 0.00 1.91 3.86 -1.07 -3.50 115.15 115.70 1j0g h HIS 77 Ca -0.07 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1j0g h HIS 77 Cb 0.73 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1j0g h HIS 77 CO -0.11 0.74 0.00 0.41 0.86 0.00 0.00 177.93 179.83 1j0g n GLY 78 N 0.49 3.47 0.10 2.45 0.00 -0.61 -4.87 105.19 106.23 1j0g n GLY 78 Ca -0.08 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 1j0g n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j0g h SER 79 N 0.00 0.27 -2.72 1.61 4.64 -1.25 -3.41 113.55 112.68 1j0g h SER 79 Ca 0.00 -0.87 -0.55 0.00 -0.47 0.00 0.00 61.79 59.90 1j0g h SER 79 Cb 0.00 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 61.96 1j0g h SER 79 CO 0.00 1.11 1.18 -1.61 -0.87 0.00 0.00 176.83 176.64 1j0g s GLU 80 N -2.74 3.24 0.31 4.77 2.02 -1.26 -2.80 118.70 122.23 1j0g s GLU 80 Ca -0.16 0.80 0.05 0.00 0.02 0.00 0.00 54.97 55.68 1j0g s GLU 80 Cb 0.00 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.03 1j0g s GLU 80 CO 0.76 -2.00 0.23 -0.51 0.02 0.00 0.00 175.26 173.77 1j0g s LEU 81 N 6.69 1.64 0.04 1.80 1.43 -0.97 -4.62 118.68 124.69 1j0g s LEU 81 Ca 0.63 -1.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1j0g s LEU 81 Cb -0.14 0.46 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 1j0g s LEU 81 CO 0.28 -1.00 -0.22 -0.13 0.23 0.00 0.00 176.35 175.51 1j0g s ARG 82 N -3.63 1.46 -0.39 1.70 0.52 -1.20 -3.79 118.95 113.61 1j0g s ARG 82 Ca 0.39 -0.97 -0.17 0.00 -0.52 0.00 0.00 55.73 54.47 1j0g s ARG 82 Cb 0.03 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1j0g s ARG 82 CO 0.23 0.41 0.42 -1.50 0.02 0.00 0.00 175.30 174.87 1j0g s ILE 83 N -0.80 5.11 0.20 1.52 2.07 -1.26 -2.52 121.20 125.53 1j0g s ILE 83 Ca 0.08 -0.20 0.07 0.00 -1.41 0.00 0.00 60.65 59.19 1j0g s ILE 83 Cb -0.09 -3.97 -0.04 0.00 0.13 0.00 0.00 42.46 38.49 1j0g s ILE 83 CO 0.02 -0.31 0.05 0.27 -1.91 0.00 0.00 174.94 173.06 1j0g s ILE 84 N 2.11 3.90 0.08 2.00 -5.25 0.44 -4.15 121.20 120.34 1j0g s ILE 84 Ca 0.12 -1.47 -0.30 0.00 -0.99 0.00 0.00 60.65 58.01 1j0g s ILE 84 Cb -0.17 -3.02 -0.06 0.00 2.95 0.00 0.00 42.46 42.16 1j0g s ILE 84 CO 0.13 -0.20 1.16 -2.16 -1.79 0.00 0.00 174.94 172.07 1j0g s PRO 85 N -3.26 4.48 0.15 0.37 0.04 -1.26 0.60 135.00 136.11 1j0g s PRO 85 Ca 0.30 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1j0g s PRO 85 Cb -0.09 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.05 1j0g s PRO 85 CO 0.21 -0.16 1.02 1.03 0.04 0.00 0.00 177.00 179.13 1j0g s ARG 86 N 0.72 4.67 -0.49 4.56 1.81 -1.03 -4.82 118.95 124.37 1j0g s ARG 86 Ca 0.56 1.56 -0.03 0.00 -1.72 0.00 0.00 55.73 56.10 1j0g s ARG 86 Cb -0.29 -3.33 0.13 0.00 -0.45 0.00 0.00 34.95 31.01 1j0g s ARG 86 CO 0.30 0.18 0.29 0.34 -0.68 0.00 0.00 175.30 175.74 1j0g s ASP 87 N -0.13 5.21 -0.56 0.23 2.15 -1.26 -4.67 116.67 117.65 1j0g s ASP 87 Ca 0.48 -2.38 0.05 0.00 0.43 0.00 0.00 52.55 51.12 1j0g s ASP 87 Cb -0.26 -1.83 0.36 0.00 -0.30 0.00 0.00 42.92 40.89 1j0g s ASP 87 CO 0.32 -0.47 1.05 -2.11 -0.17 0.00 0.00 175.17 173.79 1j0g n ARG 88 N 4.12 3.37 -1.43 4.34 1.85 -1.26 -5.04 116.66 122.61 1j0g n ARG 88 Ca 0.02 -4.73 0.00 0.00 -1.00 0.00 0.00 57.85 52.14 1j0g n ARG 88 Cb 0.40 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 1j0g n ARG 88 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1j0g n VAL 89 N -0.32 -4.23 0.00 8.89 0.31 -1.26 -5.08 118.33 116.64 1j0g n VAL 89 Ca 0.34 1.92 0.00 0.00 -0.01 0.00 0.00 64.34 66.59 1j0g n VAL 89 Cb 0.46 -2.76 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 1j0g n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j0g n GLY 90 N -1.38 -0.29 3.10 2.92 0.00 -1.26 -5.06 105.19 103.23 1j0g n GLY 90 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1j0g n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0g s SER 91 N -4.00 5.20 0.00 1.61 1.04 -1.26 -5.27 113.70 111.02 1j0g s SER 91 Ca 0.00 -2.18 0.00 0.00 0.48 0.00 0.00 55.95 54.25 1j0g s SER 91 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1j0g s SER 91 CO 0.00 -0.50 0.00 0.00 0.98 0.00 0.00 173.24 173.72