#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 0.60 -2.98 1.61 7.64 -1.26 -5.11 113.62 114.12 1j0g n SER 2 Ca 0.00 0.22 -0.00 0.00 1.01 0.00 0.00 58.87 60.10 1j0g n SER 2 Cb 0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -3.40 -1.73 0.00 1.43 4.07 -1.26 -5.03 120.64 114.72 1j0g n GLU 3 Ca 0.00 1.68 0.00 0.00 -0.06 0.00 0.00 57.16 58.78 1j0g n GLU 3 Cb 0.05 -2.87 0.00 0.00 -0.06 0.00 0.00 31.44 28.56 1j0g n GLU 3 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1j0g n GLY 4 N 1.11 5.24 3.40 8.31 0.00 -1.26 -5.10 105.19 116.89 1j0g n GLY 4 Ca -0.01 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g s ALA 5 N -1.93 3.36 -0.19 4.61 0.00 -1.26 -4.85 121.76 121.51 1j0g s ALA 5 Ca 0.00 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 49.72 1j0g s ALA 5 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 1j0g s ALA 5 CO 0.00 -2.35 -0.33 0.00 0.00 0.00 0.00 175.76 173.08 1j0g n ALA 6 N 6.52 0.88 -3.32 0.00 0.00 -1.26 -5.05 120.51 118.28 1j0g n ALA 6 Ca -0.08 -0.81 -0.23 0.00 0.00 0.00 0.00 53.44 52.32 1j0g n ALA 6 Cb 0.43 0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.45 -4.33 0.14 0.00 -1.04 -1.26 -4.91 114.28 98.42 1j0g n THR 7 Ca -0.19 0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1j0g n THR 7 Cb 0.54 -3.86 0.00 0.00 -1.82 0.00 0.00 70.33 65.19 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 0.32 0.00 -3.29 -2.82 0.00 -1.26 -5.09 117.12 104.98 1j0g n MET 8 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.58 1j0g n MET 8 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.74 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 -3.30 0.20 0.24 6.12 0.01 -1.26 -5.15 113.70 110.56 1j0g s SER 9 Ca 0.00 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1j0g s SER 9 Cb 0.00 1.19 -0.05 0.00 0.21 0.00 0.00 66.02 67.37 1j0g s SER 9 CO 0.00 -0.34 -0.02 -0.54 0.41 0.00 0.00 173.24 172.75 1j0g s LYS 10 N 2.57 1.40 -0.02 12.44 1.02 -1.26 -3.00 119.74 132.89 1j0g s LYS 10 Ca 0.10 -1.71 0.01 0.00 0.02 0.00 0.00 55.97 54.40 1j0g s LYS 10 Cb -0.13 -0.77 0.01 0.00 -0.52 0.00 0.00 37.83 36.43 1j0g s LYS 10 CO -0.28 -0.06 -0.03 0.14 -0.92 0.00 0.00 175.35 174.19 1j0g s VAL 11 N -3.30 0.37 -0.16 3.17 -7.23 0.11 -4.75 120.40 108.61 1j0g s VAL 11 Ca 0.29 -0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.28 1j0g s VAL 11 Cb 0.05 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1j0g s VAL 11 CO 0.10 0.16 0.12 -0.94 -0.31 0.00 0.00 175.10 174.22 1j0g s SER 12 N 0.57 6.17 -0.11 4.85 1.04 -1.26 -2.86 113.70 122.11 1j0g s SER 12 Ca -0.07 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.68 1j0g s SER 12 Cb -0.10 -2.04 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1j0g s SER 12 CO -0.00 0.28 -0.15 -0.36 0.98 0.00 0.00 173.24 173.98 1j0g s PHE 13 N -0.22 2.75 -0.57 5.02 0.40 -0.93 -4.83 117.98 119.60 1j0g s PHE 13 Ca 0.10 -0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 55.76 1j0g s PHE 13 Cb -0.12 -1.79 0.15 0.00 0.51 0.00 0.00 43.02 41.78 1j0g s PHE 13 CO 0.01 -0.17 0.42 0.21 0.70 0.00 0.00 175.22 176.40 1j0g s LYS 14 N 0.15 2.62 0.06 0.44 2.20 -1.13 -2.97 119.74 121.11 1j0g s LYS 14 Ca -0.08 -2.13 0.06 0.00 -0.36 0.00 0.00 55.97 53.46 1j0g s LYS 14 Cb -0.15 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.23 1j0g s LYS 14 CO 0.05 -1.19 -0.09 0.42 -0.36 0.00 0.00 175.35 174.18 1j0g s ILE 15 N 0.69 3.45 -0.08 5.43 1.01 -1.01 -2.75 121.20 127.95 1j0g s ILE 15 Ca 0.11 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1j0g s ILE 15 Cb -0.21 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.72 1j0g s ILE 15 CO -0.03 0.23 -0.07 -0.89 0.00 0.00 0.00 174.94 174.18 1j0g s THR 16 N -1.12 0.85 -0.24 2.92 2.01 -1.25 0.52 115.64 119.34 1j0g s THR 16 Ca 0.20 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.67 1j0g s THR 16 Cb -0.11 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1j0g s THR 16 CO 0.11 0.31 2.16 -0.22 -0.69 0.00 0.00 174.62 176.30 1j0g s LEU 17 N 1.23 3.44 -1.18 4.42 2.96 -0.90 -3.93 118.68 124.73 1j0g s LEU 17 Ca -0.05 1.79 -0.10 0.00 -0.22 0.00 0.00 54.13 55.55 1j0g s LEU 17 Cb -0.14 -3.50 0.23 0.00 0.50 0.00 0.00 46.19 43.28 1j0g s LEU 17 CO -0.02 -1.94 1.46 0.35 -1.32 0.00 0.00 176.35 174.87 1j0g n THR 18 N 7.72 4.57 0.07 3.68 -2.24 -1.25 -4.17 114.28 122.67 1j0g n THR 18 Ca 0.29 -5.07 0.00 0.00 -2.27 0.00 0.00 64.05 57.00 1j0g n THR 18 Cb 0.45 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 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 3.62 -1.07 -4.79 3.42 3.41 -1.26 -4.91 113.62 112.03 1j0g n SER 19 Ca 0.32 0.26 -0.34 0.00 -0.26 0.00 0.00 58.87 58.85 1j0g n SER 19 Cb 0.38 1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 65.57 1j0g n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j0g s ASP 20 N -2.02 6.25 -1.16 4.04 2.15 -1.26 -4.91 116.67 119.77 1j0g s ASP 20 Ca 0.00 1.98 -0.19 0.00 0.43 0.00 0.00 52.55 54.77 1j0g s ASP 20 Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1j0g s ASP 20 CO 0.00 -0.84 1.97 -0.81 -0.17 0.00 0.00 175.17 175.32 1j0g n PRO 21 N -0.98 2.25 0.00 4.34 -0.04 -1.26 -3.29 135.00 136.02 1j0g n PRO 21 Ca 0.09 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 1j0g n PRO 21 Cb 0.52 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 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 7.30 0.00 -2.59 0.54 1.74 -1.26 -5.08 116.66 117.32 1j0g n ARG 22 Ca 0.49 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.53 1j0g n ARG 22 Cb 0.42 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.88 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 -1.82 -4.89 -4.66 0.55 7.99 -1.21 -4.94 117.00 108.02 1j0g n LEU 23 Ca 0.00 -0.22 -0.43 0.00 -0.01 0.00 0.00 56.01 55.36 1j0g n LEU 23 Cb 0.00 -2.45 -0.02 0.00 -0.11 0.00 0.00 43.42 40.84 1j0g n LEU 23 CO 0.00 -0.43 1.08 -2.16 -1.51 0.00 0.00 177.39 174.37 1j0g s PRO 24 N -3.37 4.25 0.45 3.23 0.04 -1.26 -4.81 135.00 133.53 1j0g s PRO 24 Ca 0.12 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1j0g s PRO 24 Cb -0.02 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.70 1j0g s PRO 24 CO 0.50 -0.68 0.88 1.52 0.04 0.00 0.00 177.00 179.26 1j0g s TYR 25 N 3.35 3.44 0.02 0.56 1.13 -1.26 -2.12 117.35 122.46 1j0g s TYR 25 Ca 0.56 1.30 0.02 0.00 -1.41 0.00 0.00 57.07 57.54 1j0g s TYR 25 Cb -0.22 -2.65 -0.02 0.00 -1.10 0.00 0.00 41.96 37.97 1j0g s TYR 25 CO 0.16 -0.21 -0.08 0.21 -2.51 0.00 0.00 175.55 173.12 1j0g s LYS 26 N -3.81 0.56 -0.35 -3.49 2.36 0.18 -4.96 119.74 110.24 1j0g s LYS 26 Ca 0.56 -0.54 -0.00 0.00 -2.55 0.00 0.00 55.97 53.44 1j0g s LYS 26 Cb -0.10 -0.45 0.11 0.00 -1.05 0.00 0.00 37.83 36.34 1j0g s LYS 26 CO 0.28 0.11 0.15 0.08 1.55 0.00 0.00 175.35 177.52 1j0g s VAL 27 N -0.81 0.81 -0.00 4.02 1.01 -1.24 -2.40 120.40 121.78 1j0g s VAL 27 Ca -0.03 -1.67 -0.07 0.00 0.00 0.00 0.00 61.98 60.21 1j0g s VAL 27 Cb -0.07 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1j0g s VAL 27 CO 0.00 -0.78 0.26 -0.22 0.00 0.00 0.00 175.10 174.36 1j0g s LEU 28 N 1.26 4.37 -0.16 3.92 2.96 -1.16 -4.90 118.68 124.98 1j0g s LEU 28 Ca 0.13 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1j0g s LEU 28 Cb -0.20 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 43.89 1j0g s LEU 28 CO -0.16 0.27 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.53 1j0g s SER 29 N -1.65 2.82 0.08 3.68 0.01 -1.26 -2.19 113.70 115.19 1j0g s SER 29 Ca 0.27 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 1j0g s SER 29 Cb -0.13 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.82 1j0g s SER 29 CO 0.15 -0.04 0.19 0.68 0.41 0.00 0.00 173.24 174.64 1j0g s VAL 30 N 1.41 0.14 -0.08 3.43 -7.23 -1.13 -4.96 120.40 111.97 1j0g s VAL 30 Ca 0.05 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.80 1j0g s VAL 30 Cb -0.13 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1j0g s VAL 30 CO -0.11 -0.62 1.23 -2.16 -0.31 0.00 0.00 175.10 173.13 1j0g s PRO 31 N -3.60 4.31 0.31 4.82 0.04 -1.26 0.07 135.00 139.69 1j0g s PRO 31 Ca 0.03 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.81 1j0g s PRO 31 Cb 0.04 -3.62 0.83 0.00 0.04 0.00 0.00 34.50 31.79 1j0g s PRO 31 CO -0.10 -0.53 1.51 -0.85 0.04 0.00 0.00 177.00 177.07 1j0g n GLU 32 N 5.63 -0.07 -0.68 4.56 0.28 -1.16 0.20 120.64 129.38 1j0g n GLU 32 Ca 0.12 1.42 0.51 0.00 -0.16 0.00 0.00 57.16 59.06 1j0g n GLU 32 Cb 0.46 -2.31 0.79 0.00 1.43 0.00 0.00 31.44 31.81 1j0g n GLU 32 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1j0g n SER 33 N -5.39 0.00 -4.79 -1.84 3.41 -1.26 -2.88 113.62 100.87 1j0g n SER 33 Ca 0.25 0.96 -0.37 0.00 -0.26 0.00 0.00 58.87 59.45 1j0g n SER 33 Cb 0.83 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1j0g n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j0g s THR 34 N -4.79 4.29 0.70 6.66 2.01 0.53 -4.76 115.64 120.28 1j0g s THR 34 Ca -0.05 1.72 -0.11 0.00 0.31 0.00 0.00 61.69 63.56 1j0g s THR 34 Cb 0.26 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1j0g s THR 34 CO 0.86 0.19 1.06 -2.16 -0.69 0.00 0.00 174.62 173.88 1j0g s PRO 35 N -1.96 2.89 0.11 4.92 0.04 -1.26 0.83 135.00 140.57 1j0g s PRO 35 Ca 0.48 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1j0g s PRO 35 Cb -0.19 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 1j0g s PRO 35 CO 0.24 -1.13 1.26 0.35 0.04 0.00 0.00 177.00 177.76 1j0g h PHE 36 N -0.74 0.72 -1.30 0.56 3.04 -1.83 -3.21 116.94 114.17 1j0g h PHE 36 Ca -0.44 -0.40 0.40 0.00 3.98 0.00 0.00 57.97 61.51 1j0g h PHE 36 Cb 1.21 -0.08 -0.11 0.00 2.56 0.00 0.00 35.95 39.54 1j0g h PHE 36 CO 0.61 1.23 0.86 0.00 -2.02 0.00 0.00 178.31 178.99 1j0g h THR 37 N 0.26 0.22 -0.11 4.41 1.03 -1.90 0.99 112.91 117.81 1j0g h THR 37 Ca -0.10 -0.05 -0.05 0.00 -0.01 0.00 0.00 66.41 66.21 1j0g h THR 37 Cb 1.65 0.07 -0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1j0g h THR 37 CO 0.18 0.02 -0.12 0.00 -0.01 0.00 0.00 175.52 175.59 1j0g h ALA 38 N 1.54 0.16 -0.98 0.00 0.00 -1.96 -3.06 119.26 114.96 1j0g h ALA 38 Ca 0.76 -0.32 0.33 0.00 0.00 0.00 0.00 54.91 55.68 1j0g h ALA 38 Cb 2.42 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 20.01 1j0g h ALA 38 CO -0.33 0.02 0.30 0.28 0.00 0.00 0.00 179.25 179.53 1j0g h VAL 39 N -0.14 0.08 0.00 0.00 2.07 0.92 0.24 116.25 119.43 1j0g h VAL 39 Ca 0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1j0g h VAL 39 Cb 0.66 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1j0g h VAL 39 CO 0.03 0.01 0.00 -0.11 0.02 0.00 0.00 177.57 177.52 1j0g n LEU 40 N -5.32 0.00 -0.27 2.57 -0.00 -1.02 0.18 117.00 113.14 1j0g n LEU 40 Ca 0.29 1.00 -0.10 0.00 -0.00 0.00 0.00 56.01 57.20 1j0g n LEU 40 Cb 0.97 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 1j0g n LEU 40 CO -0.00 -0.50 0.49 0.11 -0.00 0.00 0.00 177.39 177.49 1j0g h LYS 41 N 0.00 -0.12 -0.18 1.96 1.57 -1.09 0.65 116.57 119.37 1j0g h LYS 41 Ca 0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1j0g h LYS 41 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1j0g h LYS 41 CO 0.00 -0.08 -0.37 0.35 -0.57 0.00 0.00 179.45 178.78 1j0g h PHE 42 N -0.12 -1.12 -0.64 -1.35 3.04 -0.81 0.70 116.94 116.63 1j0g h PHE 42 Ca 0.11 0.05 0.19 0.00 3.98 0.00 0.00 57.97 62.29 1j0g h PHE 42 Cb 0.40 0.51 -0.03 0.00 2.56 0.00 0.00 35.95 39.40 1j0g h PHE 42 CO -0.90 -0.35 0.64 0.00 -2.02 0.00 0.00 178.31 175.68 1j0g h ALA 43 N -0.57 2.43 0.01 2.41 0.00 0.29 0.42 119.26 124.26 1j0g h ALA 43 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j0g h ALA 43 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j0g h ALA 43 CO -0.35 -0.97 -0.01 0.00 0.00 0.00 0.00 179.25 177.93 1j0g h ALA 44 N 1.32 -0.32 -1.11 0.00 0.00 0.59 -2.72 119.26 117.01 1j0g h ALA 44 Ca 0.30 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.52 1j0g h ALA 44 Cb 1.59 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 1j0g h ALA 44 CO -0.00 -0.32 0.74 1.05 0.00 0.00 0.00 179.25 180.72 1j0g h GLU 45 N -0.04 0.25 -0.63 0.00 4.11 0.48 1.03 114.58 119.78 1j0g h GLU 45 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 1j0g h GLU 45 Cb 0.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1j0g h GLU 45 CO 0.00 0.16 0.27 0.93 0.07 0.00 0.00 179.01 180.45 1j0g h GLU 46 N 0.26 0.90 -0.21 1.06 4.39 -0.26 -0.97 114.58 119.75 1j0g h GLU 46 Ca 0.62 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1j0g h GLU 46 Cb 1.84 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1j0g h GLU 46 CO -0.24 0.72 0.00 1.19 -1.16 0.00 0.00 179.01 179.52 1j0g n PHE 47 N -4.33 0.27 -1.59 4.33 3.72 0.34 -4.89 117.46 115.31 1j0g n PHE 47 Ca 0.06 -0.13 -0.14 0.00 -0.05 0.00 0.00 57.45 57.18 1j0g n PHE 47 Cb 0.15 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.57 -1.04 -4.00 -1.08 5.02 -0.07 -4.99 118.16 112.57 1j0g n LYS 48 Ca 0.17 0.95 -0.24 0.00 -2.02 0.00 0.00 58.31 57.17 1j0g n LYS 48 Cb 0.38 -5.10 -0.03 0.00 -0.02 0.00 0.00 35.03 30.26 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j0g s VAL 49 N -2.57 5.03 0.26 -0.18 -7.23 -0.54 -4.96 120.40 110.20 1j0g s VAL 49 Ca 0.00 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 1j0g s VAL 49 Cb 0.00 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 33.20 1j0g s VAL 49 CO 0.00 -0.21 1.09 -2.16 -0.31 0.00 0.00 175.10 173.51 1j0g s PRO 50 N -3.55 4.65 -0.36 4.82 0.04 -1.26 -3.45 135.00 135.89 1j0g s PRO 50 Ca 0.33 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 1j0g s PRO 50 Cb -0.10 -3.21 0.20 0.00 0.04 0.00 0.00 34.50 31.43 1j0g s PRO 50 CO 0.27 0.21 2.14 0.00 0.04 0.00 0.00 177.00 179.66 1j0g n ALA 51 N 1.44 5.40 0.02 8.56 0.00 -1.26 -3.93 120.51 130.74 1j0g n ALA 51 Ca -0.00 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.45 1j0g n ALA 51 Cb 0.45 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.35 3.00 -1.77 0.00 0.00 -1.26 -4.80 120.51 116.04 1j0g n ALA 52 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 1j0g n ALA 52 Cb 0.58 0.37 0.05 0.00 0.00 0.00 0.00 19.45 20.45 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 -3.08 3.38 -3.92 0.00 -2.24 -1.25 -4.89 114.28 102.27 1j0g n THR 53 Ca 0.00 -3.85 -0.15 0.00 -2.27 0.00 0.00 64.05 57.78 1j0g n THR 53 Cb 0.32 -1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 67.19 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 -1.86 0.26 0.12 3.42 0.01 -1.26 -1.57 113.70 112.82 1j0g s SER 54 Ca 0.56 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.76 1j0g s SER 54 Cb 0.46 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 1j0g s SER 54 CO -0.20 -0.04 0.13 0.00 0.41 0.00 0.00 173.24 173.54 1j0g s ALA 55 N 0.50 0.41 -0.15 1.44 0.00 -0.73 -4.77 121.76 118.46 1j0g s ALA 55 Ca -0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1j0g s ALA 55 Cb -0.07 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1j0g s ALA 55 CO -0.01 -0.52 -0.13 0.42 0.00 0.00 0.00 175.76 175.52 1j0g s ILE 56 N -3.98 2.96 0.24 0.00 1.01 -1.26 -1.72 121.20 118.45 1j0g s ILE 56 Ca 0.17 -0.68 0.12 0.00 0.00 0.00 0.00 60.65 60.26 1j0g s ILE 56 Cb 0.06 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1j0g s ILE 56 CO -0.02 0.51 -0.22 0.27 0.00 0.00 0.00 174.94 175.48 1j0g s ILE 57 N 0.68 2.43 0.41 2.92 -4.36 -0.27 -3.80 121.20 119.21 1j0g s ILE 57 Ca -0.06 -2.25 0.07 0.00 -0.26 0.00 0.00 60.65 58.15 1j0g s ILE 57 Cb -0.15 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 1j0g s ILE 57 CO 0.02 -0.28 0.21 0.28 0.24 0.00 0.00 174.94 175.41 1j0g s THR 58 N -2.15 2.35 0.12 8.37 -1.32 -1.26 -1.71 115.64 120.04 1j0g s THR 58 Ca 0.26 -1.65 -0.32 0.00 -1.21 0.00 0.00 61.69 58.78 1j0g s THR 58 Cb -0.06 -3.00 -0.18 0.00 -1.51 0.00 0.00 72.50 67.75 1j0g s THR 58 CO 0.13 0.00 0.71 0.59 -2.21 0.00 0.00 174.62 173.84 1j0g n ASN 59 N -1.28 -0.77 0.00 8.08 4.13 -1.26 0.16 115.26 124.31 1j0g n ASN 59 Ca -0.00 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.37 1j0g n ASN 59 Cb 0.64 -0.92 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 1j0g n ASN 59 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1j0g n ASP 60 N 1.77 -3.19 -4.34 6.41 2.03 -1.26 -3.79 116.55 114.19 1j0g n ASP 60 Ca 0.18 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.17 1j0g n ASP 60 Cb 0.18 -0.93 -0.09 0.00 -0.72 0.00 0.00 41.12 39.56 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 -2.34 -0.16 0.71 0.27 0.00 0.41 -4.76 105.19 99.32 1j0g n GLY 61 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1j0g n GLY 61 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j0g n ILE 62 N -4.51 0.63 -1.22 -0.61 0.00 -1.20 -4.89 119.36 107.56 1j0g n ILE 62 Ca -0.27 -0.45 0.16 0.00 0.00 0.00 0.00 62.75 62.19 1j0g n ILE 62 Cb 0.67 -0.00 -0.05 0.00 0.00 0.00 0.00 39.64 40.25 1j0g n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j0g n GLY 63 N 0.73 -2.40 3.06 4.50 0.00 -1.26 -4.93 105.19 104.89 1j0g n GLY 63 Ca 0.10 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.87 0.86 -0.33 -0.61 1.01 -1.25 -4.41 121.20 113.60 1j0g s ILE 64 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1j0g s ILE 64 Cb 0.00 -0.73 0.07 0.00 0.01 0.00 0.00 42.46 41.81 1j0g s ILE 64 CO 0.00 0.20 0.05 0.21 0.00 0.00 0.00 174.94 175.40 1j0g s ASN 65 N -0.36 4.97 -0.19 3.58 2.47 -1.26 -4.99 114.94 119.15 1j0g s ASN 65 Ca 0.04 -1.55 -0.05 0.00 0.42 0.00 0.00 52.86 51.71 1j0g s ASN 65 Cb -0.05 -1.73 -0.18 0.00 -1.45 0.00 0.00 41.25 37.84 1j0g s ASN 65 CO -0.00 -0.34 2.80 -0.81 -3.72 0.00 0.00 177.10 175.02 1j0g n PRO 66 N 4.58 1.71 0.02 0.43 -0.04 -1.26 -4.16 135.00 136.28 1j0g n PRO 66 Ca -0.09 -0.91 0.13 0.00 -0.04 0.00 0.00 63.50 62.59 1j0g n PRO 66 Cb 0.43 -1.99 0.40 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.83 2.88 -2.41 0.55 0.00 -1.26 -4.80 120.51 118.29 1j0g n ALA 67 Ca 0.37 -0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1j0g n ALA 67 Cb 0.61 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.03 1.59 0.61 0.00 0.00 -1.26 -5.13 119.66 112.45 1j0g s GLN 68 Ca 0.12 -1.88 -0.18 0.00 -0.00 0.00 0.00 55.36 53.41 1j0g s GLN 68 Cb 0.17 -0.67 -0.04 0.00 0.00 0.00 0.00 33.01 32.47 1j0g s GLN 68 CO 0.62 -0.23 1.08 0.25 0.00 0.00 0.00 175.29 177.01 1j0g n THR 69 N -0.63 4.07 -0.23 3.63 -2.24 -1.26 -4.28 114.28 113.34 1j0g n THR 69 Ca -0.02 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.27 1j0g n THR 69 Cb 0.66 -1.27 0.09 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.55 0.53 -0.12 6.98 0.00 0.57 1.64 119.26 129.40 1j0g h ALA 70 Ca -0.49 0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j0g h ALA 70 Cb 1.35 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1j0g h ALA 70 CO 0.52 -0.42 0.19 0.78 0.00 0.00 0.00 179.25 180.32 1j0g h GLY 71 N 0.03 0.00 0.41 0.00 0.00 -1.70 1.67 103.07 103.48 1j0g h GLY 71 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1j0g h GLY 71 CO -0.66 0.00 -1.38 0.70 0.00 0.00 0.00 176.54 175.20 1j0g n ASN 72 N -3.52 0.47 -0.07 0.19 3.02 0.49 -3.45 115.26 112.38 1j0g n ASN 72 Ca 0.00 -0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.25 1j0g n ASN 72 Cb 0.29 1.19 -0.12 0.00 -0.61 0.00 0.00 39.78 40.53 1j0g n ASN 72 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1j0g h VAL 73 N 0.00 0.84 0.00 2.41 2.07 0.56 -2.85 116.25 119.29 1j0g h VAL 73 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1j0g h VAL 73 Cb 0.87 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1j0g h VAL 73 CO 0.00 0.49 0.00 2.22 0.02 0.00 0.00 177.57 180.30 1j0g n PHE 74 N -4.16 0.51 -0.06 1.57 -1.74 0.52 -0.76 117.46 113.34 1j0g n PHE 74 Ca -0.32 0.20 -0.04 0.00 -0.56 0.00 0.00 57.45 56.74 1j0g n PHE 74 Cb 0.79 -0.83 -0.01 0.00 1.52 0.00 0.00 39.48 40.95 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 -1.97 1.45 0.22 5.98 7.94 -1.22 0.58 117.00 129.98 1j0g n LEU 75 Ca 0.02 0.53 -0.15 0.00 -1.11 0.00 0.00 56.01 55.29 1j0g n LEU 75 Cb 0.19 -0.78 -0.08 0.00 0.53 0.00 0.00 43.42 43.28 1j0g n LEU 75 CO 0.16 -0.46 0.63 0.50 -1.11 0.00 0.00 177.39 177.11 1j0g h LYS 76 N -0.80 -0.70 -0.12 1.96 3.64 -1.51 -3.01 116.57 116.04 1j0g h LYS 76 Ca 0.00 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1j0g h LYS 76 Cb 0.45 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1j0g h LYS 76 CO 0.00 -0.47 -0.20 0.45 -2.27 0.00 0.00 179.45 176.97 1j0g h HIS 77 N -0.73 0.42 0.00 1.91 3.86 -1.18 -3.50 115.15 115.94 1j0g h HIS 77 Ca -0.02 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1j0g h HIS 77 Cb 0.66 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1j0g h HIS 77 CO -0.21 0.81 0.00 0.41 0.86 0.00 0.00 177.93 179.80 1j0g n GLY 78 N 0.37 3.57 0.18 2.45 0.00 -0.69 -4.81 105.19 106.26 1j0g n GLY 78 Ca -0.07 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1j0g n GLY 78 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1j0g h SER 79 N 0.00 0.58 -2.57 1.61 0.87 -0.16 -3.41 113.55 110.48 1j0g h SER 79 Ca 0.00 -0.47 -0.54 0.00 -1.23 0.00 0.00 61.79 59.55 1j0g h SER 79 Cb 0.00 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 1j0g h SER 79 CO 0.00 0.94 1.11 -1.61 -0.53 0.00 0.00 176.83 176.74 1j0g s GLU 80 N -4.34 3.19 0.35 2.24 2.02 -1.26 -2.84 118.70 118.06 1j0g s GLU 80 Ca -0.13 0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.11 1j0g s GLU 80 Cb 0.07 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.10 1j0g s GLU 80 CO 0.79 -2.10 0.14 -0.51 0.02 0.00 0.00 175.26 173.61 1j0g s LEU 81 N 6.26 1.86 -0.03 1.80 1.43 -1.11 -4.73 118.68 124.17 1j0g s LEU 81 Ca 0.47 -1.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.03 1j0g s LEU 81 Cb -0.10 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.14 1j0g s LEU 81 CO 0.21 -0.88 -0.19 -0.13 0.23 0.00 0.00 176.35 175.58 1j0g s ARG 82 N -3.76 1.79 -0.36 1.70 3.00 -0.69 -3.77 118.95 116.85 1j0g s ARG 82 Ca 0.31 -0.70 -0.16 0.00 0.00 0.00 0.00 55.73 55.18 1j0g s ARG 82 Cb 0.04 -1.63 -0.00 0.00 0.00 0.00 0.00 34.95 33.36 1j0g s ARG 82 CO 0.17 0.35 0.41 -1.50 0.00 0.00 0.00 175.30 174.73 1j0g s ILE 83 N -0.24 5.12 0.17 1.52 2.07 -1.25 -1.11 121.20 127.47 1j0g s ILE 83 Ca 0.02 0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.39 1j0g s ILE 83 Cb -0.10 -3.89 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 1j0g s ILE 83 CO 0.01 -0.18 -0.03 0.27 -1.91 0.00 0.00 174.94 173.10 1j0g s ILE 84 N 2.13 3.60 -0.09 2.00 -5.25 -0.70 -3.80 121.20 119.09 1j0g s ILE 84 Ca 0.14 -1.46 -0.30 0.00 -0.99 0.00 0.00 60.65 58.04 1j0g s ILE 84 Cb -0.16 -2.79 -0.03 0.00 2.95 0.00 0.00 42.46 42.42 1j0g s ILE 84 CO 0.12 -0.09 1.24 -2.16 -1.79 0.00 0.00 174.94 172.26 1j0g s PRO 85 N -2.87 4.30 0.35 0.37 0.04 -1.26 -1.77 135.00 134.16 1j0g s PRO 85 Ca 0.27 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1j0g s PRO 85 Cb -0.09 -3.64 -0.10 0.00 0.04 0.00 0.00 34.50 30.71 1j0g s PRO 85 CO 0.18 -0.56 0.92 0.50 0.04 0.00 0.00 177.00 178.08 1j0g s ARG 86 N 2.72 4.39 -0.66 4.56 3.52 -0.61 -4.91 118.95 127.97 1j0g s ARG 86 Ca 0.56 1.18 0.05 0.00 -0.13 0.00 0.00 55.73 57.39 1j0g s ARG 86 Cb -0.24 -2.56 0.16 0.00 -1.56 0.00 0.00 34.95 30.76 1j0g s ARG 86 CO 0.20 0.17 0.45 0.34 -0.81 0.00 0.00 175.30 175.65 1j0g s ASP 87 N -1.86 4.53 -0.15 -2.12 2.15 -1.26 -4.64 116.67 113.32 1j0g s ASP 87 Ca 0.54 -3.68 0.23 0.00 0.43 0.00 0.00 52.55 50.07 1j0g s ASP 87 Cb -0.14 -1.55 0.47 0.00 -0.30 0.00 0.00 42.92 41.40 1j0g s ASP 87 CO 0.19 -0.11 1.14 0.54 -0.17 0.00 0.00 175.17 176.77 1j0g n ARG 88 N 2.19 1.08 0.00 4.34 1.74 -1.26 -4.92 116.66 119.82 1j0g n ARG 88 Ca 0.18 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 1j0g n ARG 88 Cb 0.35 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1j0g n ARG 88 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1j0g n VAL 89 N -0.16 0.00 0.00 1.55 0.31 -1.26 -5.09 118.33 113.68 1j0g n VAL 89 Ca 0.09 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 1j0g n VAL 89 Cb 0.95 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 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 1.95 0.48 1.95 2.92 0.00 -1.26 -4.85 105.19 106.38 1j0g n GLY 90 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.08 0.00 1.61 7.64 -1.26 -5.26 113.62 116.27 1j0g n SER 91 Ca 0.00 0.33 0.11 0.00 1.01 0.00 0.00 58.87 60.32 1j0g n SER 91 Cb 0.00 0.26 0.67 0.00 -1.01 0.00 0.00 64.21 64.13 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03