#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 -5.90 -4.50 1.61 7.64 -1.26 -4.92 113.62 106.28 1j0g n SER 2 Ca 0.00 1.08 -0.41 0.00 1.01 0.00 0.00 58.87 60.55 1j0g n SER 2 Cb 0.00 -3.77 -0.10 0.00 -1.01 0.00 0.00 64.21 59.33 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 -1.01 3.34 0.02 1.43 2.56 -1.26 -4.84 118.70 118.93 1j0g s GLU 3 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 54.97 54.15 1j0g s GLU 3 Cb 0.00 -3.83 0.00 0.00 2.00 0.00 0.00 34.13 32.30 1j0g s GLU 3 CO 0.46 -0.52 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 1j0g n GLY 4 N 5.11 -3.74 2.59 -1.50 0.00 -1.26 -5.05 105.19 101.33 1j0g n GLY 4 Ca -0.12 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.05 0.36 -0.50 4.61 0.00 -1.26 -4.96 121.76 119.97 1j0g s ALA 5 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1j0g s ALA 5 Cb 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1j0g s ALA 5 CO 0.00 -1.78 0.63 0.00 0.00 0.00 0.00 175.76 174.61 1j0g n ALA 6 N 4.98 -2.69 -1.77 0.00 0.00 -1.26 -4.87 120.51 114.90 1j0g n ALA 6 Ca -0.01 0.65 -0.40 0.00 0.00 0.00 0.00 53.44 53.69 1j0g n ALA 6 Cb 0.42 -2.77 0.01 0.00 0.00 0.00 0.00 19.45 17.11 1j0g n ALA 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1j0g s THR 7 N -2.29 2.25 0.09 0.00 2.01 -1.26 -4.89 115.64 111.55 1j0g s THR 7 Ca 0.25 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1j0g s THR 7 Cb -0.05 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1j0g s THR 7 CO 0.82 0.03 0.00 0.23 -0.69 0.00 0.00 174.62 175.01 1j0g n MET 8 N -0.09 0.00 -3.27 4.92 2.81 -1.26 -5.06 117.12 115.17 1j0g n MET 8 Ca 0.05 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.87 1j0g n MET 8 Cb 0.42 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.89 1j0g n MET 8 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1j0g s SER 9 N -4.59 -0.33 0.38 7.83 1.04 -1.26 -5.15 113.70 111.63 1j0g s SER 9 Ca 0.00 -1.03 0.07 0.00 0.48 0.00 0.00 55.95 55.47 1j0g s SER 9 Cb 0.00 1.35 -0.07 0.00 0.10 0.00 0.00 66.02 67.39 1j0g s SER 9 CO 0.00 -0.22 -0.01 -0.54 0.98 0.00 0.00 173.24 173.44 1j0g s LYS 10 N 1.77 1.89 -0.05 4.02 1.02 -1.26 -2.87 119.74 124.25 1j0g s LYS 10 Ca 0.16 -2.04 -0.01 0.00 0.02 0.00 0.00 55.97 54.09 1j0g s LYS 10 Cb -0.09 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.68 1j0g s LYS 10 CO -0.08 -0.02 0.01 0.14 -0.92 0.00 0.00 175.35 174.49 1j0g s VAL 11 N -2.75 0.21 -0.10 3.17 -7.23 0.19 -4.70 120.40 109.18 1j0g s VAL 11 Ca 0.34 0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.60 1j0g s VAL 11 Cb 0.08 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1j0g s VAL 11 CO 0.17 0.21 0.21 -0.55 -0.31 0.00 0.00 175.10 174.83 1j0g s SER 12 N 1.74 6.47 0.06 4.85 0.15 -1.26 -2.83 113.70 122.88 1j0g s SER 12 Ca 0.01 0.56 0.06 0.00 0.70 0.00 0.00 55.95 57.28 1j0g s SER 12 Cb -0.13 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1j0g s SER 12 CO -0.04 0.35 -0.11 -0.36 1.20 0.00 0.00 173.24 174.29 1j0g s PHE 13 N -0.82 2.74 -0.41 3.44 0.40 -1.12 -4.84 117.98 117.36 1j0g s PHE 13 Ca 0.16 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 1j0g s PHE 13 Cb -0.13 -1.49 0.11 0.00 0.51 0.00 0.00 43.02 42.02 1j0g s PHE 13 CO 0.06 0.37 0.14 0.21 0.70 0.00 0.00 175.22 176.70 1j0g s LYS 14 N -1.79 1.62 0.09 0.44 2.20 -0.23 -2.85 119.74 119.22 1j0g s LYS 14 Ca 0.18 -2.13 0.07 0.00 -0.36 0.00 0.00 55.97 53.74 1j0g s LYS 14 Cb -0.11 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1j0g s LYS 14 CO 0.10 -1.02 -0.13 0.42 -0.36 0.00 0.00 175.35 174.36 1j0g s ILE 15 N 0.45 3.17 -0.14 5.43 1.01 -1.12 -3.07 121.20 126.94 1j0g s ILE 15 Ca 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1j0g s ILE 15 Cb -0.22 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1j0g s ILE 15 CO -0.05 0.16 -0.13 -0.89 0.00 0.00 0.00 174.94 174.03 1j0g s THR 16 N -1.14 1.45 0.23 2.92 2.01 -1.25 -0.40 115.64 119.46 1j0g s THR 16 Ca 0.19 -0.56 -0.32 0.00 0.31 0.00 0.00 61.69 61.31 1j0g s THR 16 Cb -0.11 -1.37 -0.13 0.00 0.01 0.00 0.00 72.50 70.90 1j0g s THR 16 CO 0.11 0.44 1.52 -0.11 -0.69 0.00 0.00 174.62 175.89 1j0g n LEU 17 N 4.72 3.44 -3.63 4.42 7.94 -1.19 -3.80 117.00 128.89 1j0g n LEU 17 Ca -0.16 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.56 1j0g n LEU 17 Cb 0.50 -1.47 -0.13 0.00 0.53 0.00 0.00 43.42 42.85 1j0g n LEU 17 CO 0.21 -0.25 -0.29 0.42 -1.11 0.00 0.00 177.39 176.37 1j0g s THR 18 N 0.31 0.86 0.00 1.96 -4.23 -1.25 -4.37 115.64 108.91 1j0g s THR 18 Ca 0.71 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1j0g s THR 18 Cb -0.61 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1j0g s THR 18 CO 0.45 -0.88 0.00 -1.54 -0.54 0.00 0.00 174.62 172.11 1j0g n SER 19 N 3.99 0.00 -4.87 3.99 3.41 -1.26 -4.80 113.62 114.08 1j0g n SER 19 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.46 1j0g n SER 19 Cb 0.37 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.85 4.90 -0.68 4.04 1.11 -1.26 -4.94 116.67 118.99 1j0g s ASP 20 Ca 0.00 -0.06 -0.06 0.00 0.18 0.00 0.00 52.55 52.61 1j0g s ASP 20 Cb 0.00 -0.63 -0.13 0.00 1.07 0.00 0.00 42.92 43.24 1j0g s ASP 20 CO 0.00 -1.45 2.63 -0.81 1.18 0.00 0.00 175.17 176.72 1j0g n PRO 21 N -2.59 2.20 -2.82 8.23 -0.04 -1.26 -4.72 135.00 134.00 1j0g n PRO 21 Ca 0.10 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1j0g n PRO 21 Cb 0.60 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.36 0.18 -2.81 0.54 1.74 -1.26 -5.09 116.66 113.32 1j0g n ARG 22 Ca 0.47 -0.53 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 1j0g n ARG 22 Cb 0.40 0.79 0.05 0.00 -1.02 0.00 0.00 32.46 32.68 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 0.00 -2.12 -4.68 0.55 4.32 -1.26 -4.67 117.00 109.13 1j0g n LEU 23 Ca 0.01 -3.73 -0.42 0.00 -0.02 0.00 0.00 56.01 51.84 1j0g n LEU 23 Cb 0.29 0.86 -0.03 0.00 -1.62 0.00 0.00 43.42 42.93 1j0g n LEU 23 CO 0.09 2.07 0.99 -2.16 -1.22 0.00 0.00 177.39 177.15 1j0g s PRO 24 N 0.11 4.33 0.60 3.23 0.04 -1.26 -4.80 135.00 137.25 1j0g s PRO 24 Ca 0.28 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1j0g s PRO 24 Cb 0.26 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1j0g s PRO 24 CO -0.13 -0.50 1.06 1.52 0.04 0.00 0.00 177.00 178.99 1j0g s TYR 25 N 2.45 2.97 0.04 0.56 -0.85 -1.26 -3.19 117.35 118.06 1j0g s TYR 25 Ca 0.56 1.51 0.04 0.00 -0.52 0.00 0.00 57.07 58.66 1j0g s TYR 25 Cb -0.25 -3.01 -0.02 0.00 0.38 0.00 0.00 41.96 39.06 1j0g s TYR 25 CO 0.21 -1.15 -0.13 0.21 -1.52 0.00 0.00 175.55 173.17 1j0g s LYS 26 N -4.13 0.84 -0.33 -3.49 2.36 0.47 -4.99 119.74 110.47 1j0g s LYS 26 Ca 0.63 -0.71 -0.01 0.00 -2.55 0.00 0.00 55.97 53.33 1j0g s LYS 26 Cb -0.16 -0.82 0.11 0.00 -1.05 0.00 0.00 37.83 35.91 1j0g s LYS 26 CO 0.38 0.20 0.13 0.08 1.55 0.00 0.00 175.35 177.69 1j0g s VAL 27 N -0.86 0.72 0.46 4.02 1.01 -1.25 -2.80 120.40 121.69 1j0g s VAL 27 Ca 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 61.98 60.51 1j0g s VAL 27 Cb -0.08 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1j0g s VAL 27 CO 0.01 -0.74 0.70 -0.22 0.00 0.00 0.00 175.10 174.85 1j0g s LEU 28 N 1.50 3.65 -0.10 3.92 0.20 -1.13 -4.91 118.68 121.80 1j0g s LEU 28 Ca 0.11 0.48 -0.03 0.00 0.69 0.00 0.00 54.13 55.38 1j0g s LEU 28 Cb -0.18 -3.36 0.05 0.00 -0.43 0.00 0.00 46.19 42.27 1j0g s LEU 28 CO -0.22 -0.66 0.11 -0.55 -0.29 0.00 0.00 176.35 174.73 1j0g s SER 29 N -4.18 1.41 0.07 3.68 0.15 -1.26 -2.80 113.70 110.77 1j0g s SER 29 Ca 0.47 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 1j0g s SER 29 Cb -0.10 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1j0g s SER 29 CO 0.40 -0.28 0.16 0.68 1.20 0.00 0.00 173.24 175.39 1j0g s VAL 30 N 2.21 0.14 0.03 4.45 -7.23 -1.13 -4.97 120.40 113.89 1j0g s VAL 30 Ca 0.04 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1j0g s VAL 30 Cb -0.13 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 1j0g s VAL 30 CO -0.06 -0.65 1.18 -2.16 -0.31 0.00 0.00 175.10 173.10 1j0g s PRO 31 N -3.47 4.42 0.26 4.82 0.04 -1.26 0.52 135.00 140.34 1j0g s PRO 31 Ca 0.02 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1j0g s PRO 31 Cb 0.03 -3.41 0.70 0.00 0.04 0.00 0.00 34.50 31.86 1j0g s PRO 31 CO -0.09 -0.29 1.26 -0.85 0.04 0.00 0.00 177.00 177.07 1j0g n GLU 32 N 4.26 -0.06 -0.09 4.56 0.28 -1.14 0.19 120.64 128.63 1j0g n GLU 32 Ca 0.09 1.19 -0.07 0.00 -0.16 0.00 0.00 57.16 58.21 1j0g n GLU 32 Cb 0.47 -1.93 -0.00 0.00 1.43 0.00 0.00 31.44 31.41 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 -0.77 -2.61 -1.84 0.87 -1.90 0.29 113.55 107.59 1j0g h SER 33 Ca 0.52 0.16 -0.60 0.00 -1.23 0.00 0.00 61.79 60.64 1j0g h SER 33 Cb 1.16 0.39 0.15 0.00 -0.44 0.00 0.00 62.40 63.65 1j0g h SER 33 CO -0.73 -0.26 -0.25 0.41 -0.53 0.00 0.00 176.83 175.47 1j0g n THR 34 N -5.38 2.05 -2.49 2.23 -1.04 0.50 -4.07 114.28 106.08 1j0g n THR 34 Ca 0.01 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.18 1j0g n THR 34 Cb 0.30 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 68.06 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 -1.77 3.75 0.42 -2.82 0.04 -1.26 0.17 135.00 133.52 1j0g s PRO 35 Ca 0.64 1.34 0.22 0.00 0.04 0.00 0.00 61.00 63.24 1j0g s PRO 35 Cb -0.57 -2.09 0.86 0.00 0.04 0.00 0.00 34.50 32.74 1j0g s PRO 35 CO 0.57 -0.47 1.81 0.35 0.04 0.00 0.00 177.00 179.30 1j0g h PHE 36 N 1.42 0.00 -0.58 0.56 3.04 -1.84 -2.88 116.94 116.67 1j0g h PHE 36 Ca -0.49 0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.57 1j0g h PHE 36 Cb 1.22 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.70 1j0g h PHE 36 CO 0.57 0.28 0.39 0.00 -2.02 0.00 0.00 178.31 177.54 1j0g h THR 37 N 0.00 0.85 -0.29 4.41 1.03 -1.91 0.12 112.91 117.12 1j0g h THR 37 Ca -0.00 -0.11 -0.16 0.00 -0.01 0.00 0.00 66.41 66.13 1j0g h THR 37 Cb 0.77 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 68.36 1j0g h THR 37 CO 0.04 0.06 -0.45 0.00 -0.01 0.00 0.00 175.52 175.15 1j0g h ALA 38 N 1.71 0.65 -0.95 0.00 0.00 -1.91 -2.82 119.26 115.94 1j0g h ALA 38 Ca 0.27 -0.47 0.16 0.00 0.00 0.00 0.00 54.91 54.87 1j0g h ALA 38 Cb 0.66 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1j0g h ALA 38 CO -0.06 0.67 0.60 0.28 0.00 0.00 0.00 179.25 180.74 1j0g h VAL 39 N 0.60 0.79 0.57 0.00 2.07 -0.86 0.28 116.25 119.70 1j0g h VAL 39 Ca 0.04 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1j0g h VAL 39 Cb 1.02 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1j0g h VAL 39 CO 0.10 0.13 -0.27 0.25 0.02 0.00 0.00 177.57 177.80 1j0g h LEU 40 N 0.73 -0.65 -0.70 2.57 5.85 -1.24 1.02 115.31 122.90 1j0g h LEU 40 Ca 0.50 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.39 1j0g h LEU 40 Cb 0.79 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.86 1j0g h LEU 40 CO -0.26 -0.43 -0.06 0.11 -0.34 0.00 0.00 178.44 177.47 1j0g h LYS 41 N -0.84 0.07 0.92 1.25 1.57 -1.30 0.30 116.57 118.54 1j0g h LYS 41 Ca -0.08 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1j0g h LYS 41 Cb 0.58 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1j0g h LYS 41 CO 0.13 0.04 -0.44 0.35 -0.57 0.00 0.00 179.45 178.96 1j0g h PHE 42 N 0.07 -1.15 -0.81 -1.35 3.04 -0.37 -2.31 116.94 114.06 1j0g h PHE 42 Ca 0.36 -0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.45 1j0g h PHE 42 Cb 0.60 0.38 -0.15 0.00 2.56 0.00 0.00 35.95 39.34 1j0g h PHE 42 CO -0.45 -0.72 -0.20 0.00 -2.02 0.00 0.00 178.31 174.92 1j0g h ALA 43 N -1.37 0.55 -0.05 2.41 0.00 0.20 -0.31 119.26 120.68 1j0g h ALA 43 Ca -0.13 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1j0g h ALA 43 Cb 0.95 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1j0g h ALA 43 CO 0.21 -0.40 -0.18 0.00 0.00 0.00 0.00 179.25 178.88 1j0g h ALA 44 N 1.81 -0.57 -1.15 0.00 0.00 -0.29 0.18 119.26 119.25 1j0g h ALA 44 Ca 0.39 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.69 1j0g h ALA 44 Cb 0.60 0.73 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1j0g h ALA 44 CO -0.84 -0.64 0.69 1.49 0.00 0.00 0.00 179.25 179.96 1j0g h GLU 45 N -0.19 0.11 -0.18 0.00 4.81 -0.54 1.16 114.58 119.75 1j0g h GLU 45 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1j0g h GLU 45 Cb 0.22 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1j0g h GLU 45 CO -0.15 0.07 0.07 0.93 -0.73 0.00 0.00 179.01 179.20 1j0g h GLU 46 N 0.11 0.27 -0.21 1.92 4.39 0.69 -1.99 114.58 119.76 1j0g h GLU 46 Ca 0.81 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.46 1j0g h GLU 46 Cb 2.28 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.89 1j0g h GLU 46 CO -0.57 0.35 0.00 1.19 -1.16 0.00 0.00 179.01 178.82 1j0g n PHE 47 N -4.84 0.22 -3.66 4.33 3.72 0.36 -4.90 117.46 112.69 1j0g n PHE 47 Ca -0.04 -0.10 -0.30 0.00 -0.05 0.00 0.00 57.45 56.95 1j0g n PHE 47 Cb 0.13 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.05 -1.24 -4.20 -1.08 4.76 0.94 -4.99 118.16 112.29 1j0g n LYS 48 Ca 0.05 0.49 -0.12 0.00 -2.87 0.00 0.00 58.31 55.86 1j0g n LYS 48 Cb 0.15 -4.17 -0.10 0.00 -1.84 0.00 0.00 35.03 29.08 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1j0g s VAL 49 N -3.44 0.78 0.18 -0.18 -7.23 -0.92 -4.99 120.40 104.59 1j0g s VAL 49 Ca 0.46 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1j0g s VAL 49 Cb -0.16 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 1j0g s VAL 49 CO 0.86 -0.78 1.12 -2.16 -0.31 0.00 0.00 175.10 173.83 1j0g s PRO 50 N -3.83 4.57 -0.90 4.82 0.04 -1.26 -4.06 135.00 134.38 1j0g s PRO 50 Ca 0.15 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 1j0g s PRO 50 Cb 0.05 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1j0g s PRO 50 CO -0.02 0.04 2.75 0.00 0.04 0.00 0.00 177.00 179.81 1j0g n ALA 51 N 2.38 6.74 0.08 8.56 0.00 -1.26 -3.84 120.51 133.18 1j0g n ALA 51 Ca 0.03 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.09 1j0g n ALA 51 Cb 0.46 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 1.77 2.01 -0.48 0.00 0.00 -1.26 -4.87 120.51 117.67 1j0g n ALA 52 Ca 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 1j0g n ALA 52 Cb 0.43 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.96 2.47 -4.20 0.00 -2.24 -1.25 -3.81 114.28 102.28 1j0g n THR 53 Ca 0.00 -1.33 -0.15 0.00 -2.27 0.00 0.00 64.05 60.30 1j0g n THR 53 Cb 0.00 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.33 1.59 -0.05 3.42 1.04 -1.10 -2.53 113.70 115.74 1j0g s SER 54 Ca 0.35 -0.86 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 1j0g s SER 54 Cb 0.29 -0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.49 1j0g s SER 54 CO 0.05 -0.27 0.78 0.00 0.98 0.00 0.00 173.24 174.78 1j0g s ALA 55 N -2.64 -1.80 -0.12 5.32 0.00 0.19 -4.35 121.76 118.37 1j0g s ALA 55 Ca 0.09 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 1j0g s ALA 55 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1j0g s ALA 55 CO 0.00 -0.44 -0.06 0.42 0.00 0.00 0.00 175.76 175.68 1j0g s ILE 56 N -1.73 3.73 0.06 0.00 1.01 -1.26 0.95 121.20 123.96 1j0g s ILE 56 Ca -0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1j0g s ILE 56 Cb -0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1j0g s ILE 56 CO 0.02 0.54 0.03 0.27 0.00 0.00 0.00 174.94 175.80 1j0g s ILE 57 N -0.05 0.19 0.07 2.92 -4.36 0.61 -4.01 121.20 116.56 1j0g s ILE 57 Ca 0.01 -1.67 -0.16 0.00 -0.26 0.00 0.00 60.65 58.56 1j0g s ILE 57 Cb -0.13 -1.52 -0.06 0.00 1.25 0.00 0.00 42.46 42.00 1j0g s ILE 57 CO 0.03 -0.88 0.51 0.42 0.24 0.00 0.00 174.94 175.25 1j0g s THR 58 N -3.92 4.87 -0.66 8.37 -4.23 0.50 0.24 115.64 120.82 1j0g s THR 58 Ca 0.08 0.96 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1j0g s THR 58 Cb 0.07 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1j0g s THR 58 CO -0.09 0.47 0.00 0.59 -0.54 0.00 0.00 174.62 175.05 1j0g n ASN 59 N 1.47 -2.53 -0.88 3.99 5.03 -1.26 0.19 115.26 121.27 1j0g n ASN 59 Ca -0.10 0.29 -0.09 0.00 0.87 0.00 0.00 54.58 55.54 1j0g n ASN 59 Cb 0.52 -2.29 -0.04 0.00 -1.02 0.00 0.00 39.78 36.95 1j0g n ASN 59 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1j0g n ASP 60 N -1.24 -4.16 0.00 6.41 5.68 -1.25 -4.71 116.55 117.27 1j0g n ASP 60 Ca -0.08 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1j0g n ASP 60 Cb 0.49 -3.30 0.00 0.00 -1.14 0.00 0.00 41.12 37.17 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j0g n GLY 61 N 0.11 0.46 3.78 6.12 0.00 0.50 -5.05 105.19 111.11 1j0g n GLY 61 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 2.09 0.00 -0.61 1.01 -0.81 -4.69 121.20 118.18 1j0g s ILE 62 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1j0g s ILE 62 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1j0g s ILE 62 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1j0g n GLY 63 N 0.50 0.05 2.99 6.18 0.00 -1.26 0.19 105.19 113.83 1j0g n GLY 63 Ca 0.02 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 0.57 0.05 -0.29 -0.61 1.01 -1.26 -4.37 121.20 116.30 1j0g s ILE 64 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1j0g s ILE 64 Cb 0.00 -0.23 0.07 0.00 0.01 0.00 0.00 42.46 42.31 1j0g s ILE 64 CO 0.00 -0.22 -0.05 0.21 0.00 0.00 0.00 174.94 174.88 1j0g s ASN 65 N -0.69 4.63 -0.25 3.58 2.47 -1.26 -4.99 114.94 118.42 1j0g s ASN 65 Ca -0.08 -1.53 -0.05 0.00 0.42 0.00 0.00 52.86 51.62 1j0g s ASN 65 Cb -0.05 -1.61 -0.17 0.00 -1.45 0.00 0.00 41.25 37.97 1j0g s ASN 65 CO 0.00 -0.25 2.77 -0.81 -3.72 0.00 0.00 177.10 175.09 1j0g n PRO 66 N 4.45 1.76 0.09 0.43 -0.04 -1.26 -4.10 135.00 136.32 1j0g n PRO 66 Ca -0.10 -0.96 0.12 0.00 -0.04 0.00 0.00 63.50 62.52 1j0g n PRO 66 Cb 0.42 -2.02 0.15 0.00 -0.04 0.00 0.00 33.50 32.01 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 4.16 0.62 -4.42 0.55 0.00 -2.01 -3.47 119.26 114.69 1j0g h ALA 67 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.81 1j0g h ALA 67 Cb 0.95 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1j0g h ALA 67 CO 0.56 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 179.53 1j0g n GLN 68 N -2.32 0.90 -2.25 0.00 0.00 -1.26 -5.13 117.38 107.31 1j0g n GLN 68 Ca 0.03 -2.07 -0.36 0.00 0.00 0.00 0.00 57.00 54.60 1j0g n GLN 68 Cb 0.47 0.95 -0.00 0.00 0.00 0.00 0.00 30.24 31.66 1j0g n GLN 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1j0g s THR 69 N -2.33 3.12 0.17 -0.39 -4.23 -1.26 -4.35 115.64 106.37 1j0g s THR 69 Ca 0.08 0.75 -0.24 0.00 -1.18 0.00 0.00 61.69 61.10 1j0g s THR 69 Cb 0.00 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1j0g s THR 69 CO 0.06 -0.11 1.58 0.00 -0.54 0.00 0.00 174.62 175.61 1j0g h ALA 70 N 1.47 -0.26 -0.08 3.99 0.00 0.24 1.62 119.26 126.25 1j0g h ALA 70 Ca -0.50 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1j0g h ALA 70 Cb 1.26 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1j0g h ALA 70 CO 0.58 -0.78 0.35 0.78 0.00 0.00 0.00 179.25 180.18 1j0g h GLY 71 N -0.24 0.00 0.45 0.00 0.00 -1.12 1.57 103.07 103.72 1j0g h GLY 71 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1j0g h GLY 71 CO -0.64 0.00 -1.53 0.70 0.00 0.00 0.00 176.54 175.08 1j0g n ASN 72 N -3.05 0.39 -0.06 0.19 3.02 0.49 -3.42 115.26 112.83 1j0g n ASN 72 Ca -0.00 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 1j0g n ASN 72 Cb 0.42 1.28 -0.13 0.00 -0.61 0.00 0.00 39.78 40.75 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 0.90 0.00 2.41 2.07 0.78 -2.99 116.25 119.42 1j0g h VAL 73 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1j0g h VAL 73 Cb 0.99 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1j0g h VAL 73 CO 0.00 0.53 0.00 2.22 0.02 0.00 0.00 177.57 180.34 1j0g n PHE 74 N -4.13 0.15 -0.03 1.57 -1.74 0.43 0.95 117.46 114.67 1j0g n PHE 74 Ca -0.30 0.06 -0.21 0.00 -0.56 0.00 0.00 57.45 56.44 1j0g n PHE 74 Cb 0.80 -0.60 -0.13 0.00 1.52 0.00 0.00 39.48 41.07 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 -1.64 2.64 0.07 5.98 7.94 -1.22 0.19 117.00 130.96 1j0g n LEU 75 Ca 0.03 0.16 -0.04 0.00 -1.11 0.00 0.00 56.01 55.06 1j0g n LEU 75 Cb 0.18 -1.07 -0.08 0.00 0.53 0.00 0.00 43.42 42.98 1j0g n LEU 75 CO 0.15 0.83 0.12 0.07 -1.11 0.00 0.00 177.39 177.45 1j0g h LYS 76 N -0.03 0.00 0.00 1.96 2.10 -1.32 -3.35 116.57 115.94 1j0g h LYS 76 Ca -0.45 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 57.80 1j0g h LYS 76 Cb 1.96 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 33.22 1j0g h LYS 76 CO 0.03 0.73 -2.48 0.72 -2.00 0.00 0.00 179.45 176.45 1j0g n HIS 77 N -3.24 0.01 0.00 0.07 8.25 0.27 -5.08 115.22 115.50 1j0g n HIS 77 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1j0g n HIS 77 Cb 0.88 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 2.22 1.13 0.02 -1.41 0.00 0.13 -4.80 105.19 102.48 1j0g n GLY 78 Ca -0.46 -2.20 0.11 0.00 0.00 0.00 0.00 46.02 43.47 1j0g n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0g n SER 79 N 0.00 0.48 -4.41 1.61 2.88 -1.18 -4.39 113.62 108.62 1j0g n SER 79 Ca 0.00 -0.25 -0.44 0.00 -1.33 0.00 0.00 58.87 56.84 1j0g n SER 79 Cb 0.00 1.27 -0.05 0.00 -0.75 0.00 0.00 64.21 64.67 1j0g n SER 79 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j0g s GLU 80 N -3.29 3.07 0.28 -1.46 2.02 -1.26 -1.06 118.70 117.00 1j0g s GLU 80 Ca -0.00 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 53.87 1j0g s GLU 80 Cb 0.14 -4.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 1j0g s GLU 80 CO 0.86 -1.37 0.26 -0.51 0.02 0.00 0.00 175.26 174.51 1j0g s LEU 81 N 2.59 1.39 0.07 1.80 1.43 -1.17 -4.37 118.68 120.42 1j0g s LEU 81 Ca 0.13 -1.56 0.03 0.00 -1.03 0.00 0.00 54.13 51.70 1j0g s LEU 81 Cb -0.22 0.65 -0.03 0.00 0.03 0.00 0.00 46.19 46.62 1j0g s LEU 81 CO 0.09 -1.01 -0.10 -0.13 0.23 0.00 0.00 176.35 175.42 1j0g s ARG 82 N -3.68 0.70 -0.14 1.70 0.52 0.14 -3.74 118.95 114.44 1j0g s ARG 82 Ca 0.38 -0.94 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 1j0g s ARG 82 Cb 0.04 -0.49 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 1j0g s ARG 82 CO 0.20 0.09 0.21 -1.50 0.02 0.00 0.00 175.30 174.33 1j0g s ILE 83 N -1.73 5.36 0.11 1.52 2.07 -1.25 -0.29 121.20 127.00 1j0g s ILE 83 Ca -0.03 0.38 0.04 0.00 -1.41 0.00 0.00 60.65 59.63 1j0g s ILE 83 Cb -0.07 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 38.95 1j0g s ILE 83 CO 0.01 0.49 -0.10 0.27 -1.91 0.00 0.00 174.94 173.70 1j0g s ILE 84 N -0.13 0.95 -0.21 2.00 -5.25 0.27 -3.83 121.20 115.00 1j0g s ILE 84 Ca 0.14 -1.76 -0.29 0.00 -0.99 0.00 0.00 60.65 57.75 1j0g s ILE 84 Cb -0.12 -1.49 -0.01 0.00 2.95 0.00 0.00 42.46 43.78 1j0g s ILE 84 CO 0.03 -0.63 1.30 -2.16 -1.79 0.00 0.00 174.94 171.69 1j0g s PRO 85 N -3.10 4.09 -0.22 0.37 0.04 -1.26 0.56 135.00 135.48 1j0g s PRO 85 Ca 0.08 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1j0g s PRO 85 Cb -0.01 -3.83 0.10 0.00 0.04 0.00 0.00 34.50 30.81 1j0g s PRO 85 CO -0.00 -0.89 0.48 0.50 0.04 0.00 0.00 177.00 177.12 1j0g s ARG 86 N 3.81 0.39 -0.24 4.56 3.52 -1.05 -4.88 118.95 125.07 1j0g s ARG 86 Ca 0.56 1.14 0.02 0.00 -0.13 0.00 0.00 55.73 57.32 1j0g s ARG 86 Cb -0.20 0.45 0.06 0.00 -1.56 0.00 0.00 34.95 33.70 1j0g s ARG 86 CO 0.19 -0.23 -0.08 0.16 -0.81 0.00 0.00 175.30 174.52 1j0g s ASP 87 N 2.63 4.02 -0.45 -2.12 -4.77 -1.25 -2.70 116.67 112.02 1j0g s ASP 87 Ca -0.03 -1.22 0.09 0.00 -3.30 0.00 0.00 52.55 48.09 1j0g s ASP 87 Cb -0.12 -1.33 0.34 0.00 -1.09 0.00 0.00 42.92 40.72 1j0g s ASP 87 CO -0.14 -0.20 0.81 -2.11 0.70 0.00 0.00 175.17 174.22 1j0g n ARG 88 N 4.58 1.83 -3.64 2.11 1.85 -1.26 -5.05 116.66 117.08 1j0g n ARG 88 Ca -0.13 -3.94 -0.36 0.00 -1.00 0.00 0.00 57.85 52.42 1j0g n ARG 88 Cb 0.44 -1.91 -0.07 0.00 -1.05 0.00 0.00 32.46 29.87 1j0g n ARG 88 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1j0g s VAL 89 N -3.18 5.35 0.19 8.89 -7.23 -1.26 -5.08 120.40 118.07 1j0g s VAL 89 Ca 0.43 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 1j0g s VAL 89 Cb 0.32 -3.56 -0.00 0.00 0.56 0.00 0.00 36.38 33.71 1j0g s VAL 89 CO -0.10 0.44 0.01 0.61 -0.31 0.00 0.00 175.10 175.75 1j0g n GLY 90 N 3.19 3.94 3.11 2.32 0.00 -1.26 -5.15 105.19 111.34 1j0g n GLY 90 Ca -0.14 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.03 -0.01 0.00 1.61 0.15 -1.26 -5.35 113.70 106.82 1j0g s SER 91 Ca 0.01 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1j0g s SER 91 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1j0g s SER 91 CO 0.01 -0.26 0.00 0.00 1.20 0.00 0.00 173.24 174.19