#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8i n GLY 2 N 0.00 -2.96 0.00 2.92 0.00 -1.26 -5.13 105.19 98.76 1j8i n GLY 2 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1j8i n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j8i n SER 3 N -1.00 0.00 -2.50 1.61 7.64 -1.26 -4.97 113.62 113.13 1j8i n SER 3 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1j8i n SER 3 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1j8i n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1j8i n GLU 4 N -0.22 -2.38 -3.57 1.43 2.13 -1.26 -4.79 120.64 111.98 1j8i n GLU 4 Ca 0.00 0.02 -0.16 0.00 0.66 0.00 0.00 57.16 57.68 1j8i n GLU 4 Cb 0.00 -3.85 -0.06 0.00 0.27 0.00 0.00 31.44 27.80 1j8i n GLU 4 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1j8i s VAL 5 N -1.89 0.01 0.00 6.31 1.01 -1.26 -4.83 120.40 119.76 1j8i s VAL 5 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1j8i s VAL 5 Cb -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1j8i s VAL 5 CO 0.14 -0.07 0.00 -0.24 0.00 0.00 0.00 175.10 174.94 1j8i n SER 6 N 0.87 0.00 -0.00 3.32 2.88 -1.26 -4.68 113.62 114.75 1j8i n SER 6 Ca -0.19 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.38 1j8i n SER 6 Cb 0.57 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 1j8i n SER 6 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1j8i n ASP 7 N 0.00 1.95 -2.63 -3.46 2.03 -1.26 -5.02 116.55 108.17 1j8i n ASP 7 Ca 0.00 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1j8i n ASP 7 Cb 0.00 1.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1j8i n ASP 7 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1j8i n LYS 8 N -1.45 -1.20 -0.00 -0.67 4.01 -1.26 -5.05 118.16 112.53 1j8i n LYS 8 Ca -0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1j8i n LYS 8 Cb 0.14 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.66 1j8i n LYS 8 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1j8i n ARG 9 N -1.59 0.03 -0.02 1.97 3.00 -1.26 -4.98 116.66 113.81 1j8i n ARG 9 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 57.85 57.81 1j8i n ARG 9 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.97 1j8i n ARG 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1j8i n THR 10 N -2.62 0.47 -2.74 5.15 -1.04 -1.26 -5.11 114.28 107.13 1j8i n THR 10 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1j8i n THR 10 Cb 0.03 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 1j8i n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8i n VAL 12 N 0.00 0.00 -1.98 0.00 3.14 -1.26 -4.77 118.33 113.46 1j8i n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1j8i n VAL 12 Cb 0.00 -0.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1j8i n VAL 12 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1j8i n SER 13 N 0.00 0.00 -4.27 6.55 2.88 -1.26 -5.03 113.62 112.50 1j8i n SER 13 Ca 0.00 -0.40 -0.41 0.00 -1.33 0.00 0.00 58.87 56.73 1j8i n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1j8i n SER 13 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1j8i s LEU 14 N 0.00 5.33 0.00 2.46 1.43 -1.26 -4.44 118.68 122.20 1j8i s LEU 14 Ca 0.00 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1j8i s LEU 14 Cb 0.00 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1j8i s LEU 14 CO 0.00 -0.59 0.00 0.41 0.23 0.00 0.00 176.35 176.40 1j8i n THR 15 N 4.94 0.00 -0.43 5.49 -1.04 -0.58 -4.78 114.28 117.88 1j8i n THR 15 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1j8i n THR 15 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1j8i n THR 15 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1j8i n THR 16 N 0.00 0.00 -3.27 12.58 5.66 -1.26 -4.90 114.28 123.09 1j8i n THR 16 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1j8i n THR 16 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1j8i n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j8i n GLN 17 N -2.00 0.43 -1.40 1.09 10.64 -1.26 -5.04 117.38 119.84 1j8i n GLN 17 Ca 0.00 -3.13 -0.35 0.00 -1.83 0.00 0.00 57.00 51.69 1j8i n GLN 17 Cb 0.00 -1.46 -0.08 0.00 -0.86 0.00 0.00 30.24 27.84 1j8i n GLN 17 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1j8i n ARG 18 N 2.19 1.08 -2.21 2.61 0.63 -1.26 -4.90 116.66 114.80 1j8i n ARG 18 Ca 0.25 -1.89 -0.32 0.00 -0.92 0.00 0.00 57.85 54.97 1j8i n ARG 18 Cb 0.51 -3.26 -0.01 0.00 0.45 0.00 0.00 32.46 30.15 1j8i n ARG 18 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1j8i s LEU 19 N 6.51 3.56 0.18 6.15 2.34 -1.26 -5.01 118.68 131.15 1j8i s LEU 19 Ca 0.66 1.71 -0.30 0.00 0.06 0.00 0.00 54.13 56.27 1j8i s LEU 19 Cb 0.07 -4.52 -0.08 0.00 -0.56 0.00 0.00 46.19 41.10 1j8i s LEU 19 CO 0.18 -0.91 1.12 -2.16 -1.06 0.00 0.00 176.35 173.52 1j8i s PRO 20 N -4.06 4.58 0.35 1.48 0.04 -1.26 -4.92 135.00 131.21 1j8i s PRO 20 Ca 0.62 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.51 1j8i s PRO 20 Cb -0.13 -3.27 0.88 0.00 0.04 0.00 0.00 34.50 32.02 1j8i s PRO 20 CO 0.34 0.05 1.80 -0.24 0.04 0.00 0.00 177.00 178.99 1j8i h VAL 21 N 3.72 0.67 -0.23 -0.36 3.04 -1.94 0.99 116.25 122.14 1j8i h VAL 21 Ca -0.44 -0.21 0.07 0.00 -1.01 0.00 0.00 66.70 65.10 1j8i h VAL 21 Cb 1.21 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1j8i h VAL 21 CO 0.73 0.11 0.19 -1.28 -1.01 0.00 0.00 177.57 176.31 1j8i h SER 22 N 0.62 0.00 0.71 3.17 0.87 -1.99 0.60 113.55 117.53 1j8i h SER 22 Ca 0.55 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1j8i h SER 22 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1j8i h SER 22 CO -0.31 0.00 -0.51 0.54 -0.53 0.00 0.00 176.83 176.01 1j8i n ARG 23 N -4.15 0.13 -3.71 2.24 3.00 0.34 -4.86 116.66 109.64 1j8i n ARG 23 Ca 0.03 0.04 -0.31 0.00 -0.01 0.00 0.00 57.85 57.59 1j8i n ARG 23 Cb 0.34 -1.59 -0.04 0.00 0.00 0.00 0.00 32.46 31.17 1j8i n ARG 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1j8i s ILE 24 N -3.08 5.20 0.00 0.55 1.01 0.21 -3.31 121.20 121.79 1j8i s ILE 24 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1j8i s ILE 24 Cb 0.16 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1j8i s ILE 24 CO 0.69 0.04 0.00 1.17 0.00 0.00 0.00 174.94 176.84 1j8i n LYS 25 N 0.06 0.00 -4.37 2.79 3.00 0.47 -4.76 118.16 115.35 1j8i n LYS 25 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.01 1j8i n LYS 25 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.46 1j8i n LYS 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1j8i s THR 26 N 0.00 2.07 0.09 3.15 -1.32 -0.77 -3.69 115.64 115.16 1j8i s THR 26 Ca 0.00 -1.84 -0.05 0.00 -1.21 0.00 0.00 61.69 58.59 1j8i s THR 26 Cb 0.00 -2.91 -0.02 0.00 -1.51 0.00 0.00 72.50 68.06 1j8i s THR 26 CO 0.00 0.00 0.10 -0.72 -2.21 0.00 0.00 174.62 171.79 1j8i s TYR 27 N -2.67 0.41 -0.04 9.09 1.13 -1.26 0.16 117.35 124.16 1j8i s TYR 27 Ca 0.36 -0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 55.13 1j8i s TYR 27 Cb 0.06 -0.24 0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1j8i s TYR 27 CO 0.19 -0.49 0.06 0.99 -2.51 0.00 0.00 175.55 173.79 1j8i s THR 28 N -3.92 -0.11 -0.12 -3.49 2.01 0.18 -4.93 115.64 105.26 1j8i s THR 28 Ca 0.09 0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.47 1j8i s THR 28 Cb 0.06 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 1j8i s THR 28 CO -0.08 0.17 0.05 -0.63 -0.69 0.00 0.00 174.62 173.45 1j8i s ILE 29 N 2.17 4.74 0.31 1.82 1.01 -1.26 0.12 121.20 130.11 1j8i s ILE 29 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.71 1j8i s ILE 29 Cb -0.12 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1j8i s ILE 29 CO -0.03 0.57 0.16 0.42 0.00 0.00 0.00 174.94 176.06 1j8i s THR 30 N -0.58 3.53 -0.00 2.92 -4.23 -0.76 -4.98 115.64 111.55 1j8i s THR 30 Ca 0.11 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1j8i s THR 30 Cb -0.12 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 1j8i s THR 30 CO 0.02 -0.25 0.03 -0.62 -0.54 0.00 0.00 174.62 173.26 1j8i n GLU 31 N -1.16 0.26 -0.26 3.99 -0.58 -1.26 -3.81 120.64 117.81 1j8i n GLU 31 Ca -0.04 -0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.61 1j8i n GLU 31 Cb 0.60 -1.03 0.06 0.00 -0.57 0.00 0.00 31.44 30.50 1j8i n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j8i n GLY 32 N 2.46 -2.44 0.69 0.62 0.00 -1.26 -4.43 105.19 100.82 1j8i n GLY 32 Ca -0.00 -1.47 0.51 0.00 0.00 0.00 0.00 46.02 45.06 1j8i n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j8i n SER 33 N -3.43 0.00 0.45 1.61 7.64 -1.26 0.12 113.62 118.75 1j8i n SER 33 Ca 0.04 0.96 -0.18 0.00 1.01 0.00 0.00 58.87 60.69 1j8i n SER 33 Cb 0.14 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.77 1j8i n SER 33 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1j8i h LEU 34 N 0.00 -0.96 -3.08 -3.43 6.46 -1.93 -3.46 115.31 108.91 1j8i h LEU 34 Ca 0.91 0.03 -0.53 0.00 -0.12 0.00 0.00 57.88 58.16 1j8i h LEU 34 Cb 3.64 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 43.73 1j8i h LEU 34 CO -0.02 -0.64 -0.86 -1.14 -0.62 0.00 0.00 178.44 175.17 1j8i n ARG 35 N -5.55 -0.59 -4.12 1.25 0.63 0.33 -4.92 116.66 103.68 1j8i n ARG 35 Ca -0.15 0.02 -0.11 0.00 -0.92 0.00 0.00 57.85 56.69 1j8i n ARG 35 Cb 0.45 -2.46 -0.11 0.00 0.45 0.00 0.00 32.46 30.79 1j8i n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j8i s ALA 36 N -3.94 0.77 -0.25 5.13 0.00 -1.25 -4.72 121.76 117.51 1j8i s ALA 36 Ca 0.24 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1j8i s ALA 36 Cb -0.13 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1j8i s ALA 36 CO 0.85 -0.17 0.32 0.14 0.00 0.00 0.00 175.76 176.90 1j8i s VAL 37 N -2.83 5.23 -0.15 0.00 -7.23 0.96 -1.83 120.40 114.55 1j8i s VAL 37 Ca 0.03 0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 60.58 1j8i s VAL 37 Cb -0.00 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 1j8i s VAL 37 CO -0.03 0.23 0.25 -0.63 -0.31 0.00 0.00 175.10 174.60 1j8i s ILE 38 N 1.64 5.33 -0.21 -0.62 -1.09 0.32 0.11 121.20 126.68 1j8i s ILE 38 Ca 0.14 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1j8i s ILE 38 Cb -0.15 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1j8i s ILE 38 CO 0.08 0.44 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.73 1j8i s PHE 39 N 0.17 2.93 -0.20 3.97 0.08 0.16 0.47 117.98 125.55 1j8i s PHE 39 Ca 0.15 -1.67 -0.08 0.00 0.12 0.00 0.00 56.93 55.45 1j8i s PHE 39 Cb -0.13 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1j8i s PHE 39 CO 0.03 -0.78 0.08 0.42 -0.10 0.00 0.00 175.22 174.87 1j8i s ILE 40 N 1.28 4.77 0.43 0.64 1.01 0.42 -0.50 121.20 129.25 1j8i s ILE 40 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1j8i s ILE 40 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1j8i s ILE 40 CO -0.09 0.42 0.62 0.42 0.00 0.00 0.00 174.94 176.30 1j8i s THR 41 N 0.71 3.79 0.33 2.92 -4.23 0.18 0.18 115.64 119.53 1j8i s THR 41 Ca 0.04 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1j8i s THR 41 Cb -0.13 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.61 1j8i s THR 41 CO 0.02 -0.22 1.97 0.11 -0.54 0.00 0.00 174.62 175.97 1j8i h LYS 42 N 0.52 0.91 0.00 3.99 1.57 -1.85 0.18 116.57 121.89 1j8i h LYS 42 Ca -0.45 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1j8i h LYS 42 Cb 1.26 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1j8i h LYS 42 CO 0.54 0.60 -0.00 0.00 -0.57 0.00 0.00 179.45 180.02 1j8i h ARG 43 N 0.93 0.00 0.00 3.15 3.08 -1.94 -3.45 114.38 116.15 1j8i h ARG 43 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1j8i h ARG 43 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1j8i h ARG 43 CO -0.08 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.23 1j8i n GLY 44 N -1.00 0.70 3.67 0.04 0.00 0.63 -5.06 105.19 104.17 1j8i n GLY 44 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1j8i n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8i s LEU 45 N 0.00 4.15 -0.10 0.99 1.43 -1.25 -4.76 118.68 119.14 1j8i s LEU 45 Ca 0.00 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 1j8i s LEU 45 Cb 0.00 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1j8i s LEU 45 CO 0.00 -0.56 -0.03 -1.59 0.23 0.00 0.00 176.35 174.39 1j8i s LYS 46 N 2.70 3.12 0.26 1.70 -2.85 -1.26 -0.64 119.74 122.76 1j8i s LYS 46 Ca 0.44 -0.49 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 1j8i s LYS 46 Cb -0.16 -2.76 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 1j8i s LYS 46 CO 0.10 0.55 0.08 0.54 0.10 0.00 0.00 175.35 176.72 1j8i s VAL 47 N -0.47 0.68 -0.01 1.79 0.11 0.34 -4.56 120.40 118.29 1j8i s VAL 47 Ca 0.08 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.21 1j8i s VAL 47 Cb -0.12 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1j8i s VAL 47 CO 0.02 -0.06 -0.26 0.00 -3.33 0.00 0.00 175.10 171.47 1j8i s ALA 49 N -0.64 0.58 0.08 0.00 0.00 0.29 -1.53 121.76 120.54 1j8i s ALA 49 Ca 0.10 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 1j8i s ALA 49 Cb -0.10 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 1j8i s ALA 49 CO -0.00 -0.20 0.86 -0.51 0.00 0.00 0.00 175.76 175.91 1j8i s ASP 50 N -2.30 7.35 0.00 0.00 1.01 -1.26 -0.03 116.67 121.45 1j8i s ASP 50 Ca -0.01 1.62 0.16 0.00 0.71 0.00 0.00 52.55 55.03 1j8i s ASP 50 Cb -0.01 -2.53 0.95 0.00 1.01 0.00 0.00 42.92 42.34 1j8i s ASP 50 CO -0.04 -0.03 1.45 -0.81 0.21 0.00 0.00 175.17 175.95 1j8i n PRO 51 N 2.80 0.75 0.12 8.23 -0.04 -1.26 -2.54 135.00 143.06 1j8i n PRO 51 Ca -0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1j8i n PRO 51 Cb 0.50 -1.33 0.31 0.00 -0.04 0.00 0.00 33.50 32.94 1j8i n PRO 51 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1j8i h GLN 52 N 0.00 0.00 -6.31 0.54 -0.00 -1.97 -3.45 115.11 103.93 1j8i h GLN 52 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.11 1j8i h GLN 52 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1j8i h GLN 52 CO 0.00 0.00 0.23 0.00 0.00 0.00 0.00 178.83 179.06 1j8i s ALA 53 N -3.14 3.28 0.13 3.38 0.00 -1.05 -4.95 121.76 119.41 1j8i s ALA 53 Ca 0.09 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1j8i s ALA 53 Cb 0.11 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1j8i s ALA 53 CO 0.63 -0.07 1.44 1.15 0.00 0.00 0.00 175.76 178.91 1j8i h THR 54 N 4.44 1.27 -0.71 0.00 2.02 -1.91 -2.44 112.91 115.58 1j8i h THR 54 Ca -0.42 -1.66 0.02 0.00 0.77 0.00 0.00 66.41 65.11 1j8i h THR 54 Cb 1.21 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 1j8i h THR 54 CO 0.73 0.55 0.46 4.11 0.37 0.00 0.00 175.52 181.74 1j8i h TRP 55 N 0.71 0.87 -0.32 3.16 5.08 -1.97 0.63 115.95 124.11 1j8i h TRP 55 Ca 0.03 0.02 0.03 0.00 1.08 0.00 0.00 58.89 60.05 1j8i h TRP 55 Cb 1.09 -0.29 -0.03 0.00 -3.00 0.00 0.00 29.16 26.93 1j8i h TRP 55 CO 0.07 0.53 0.13 0.28 -1.28 0.00 0.00 178.44 178.17 1j8i h VAL 56 N 0.92 0.95 -0.18 0.12 2.07 -1.85 0.32 116.25 118.59 1j8i h VAL 56 Ca 0.27 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.61 1j8i h VAL 56 Cb -0.05 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1j8i h VAL 56 CO -0.08 0.05 -0.25 0.03 0.02 0.00 0.00 177.57 177.34 1j8i h ARG 57 N 0.29 0.34 -0.18 1.57 3.08 -0.84 0.42 114.38 119.04 1j8i h ARG 57 Ca 0.14 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1j8i h ARG 57 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1j8i h ARG 57 CO -0.12 0.57 0.02 0.22 -1.07 0.00 0.00 179.97 179.59 1j8i h ASP 58 N 0.30 0.30 0.01 7.04 3.58 0.14 -0.89 116.42 126.90 1j8i h ASP 58 Ca 0.05 -0.28 -0.15 0.00 0.42 0.00 0.00 57.03 57.07 1j8i h ASP 58 Cb 0.61 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1j8i h ASP 58 CO 0.04 0.51 -0.50 -0.37 -2.88 0.00 0.00 179.24 176.05 1j8i h VAL 59 N 0.09 1.32 -0.96 2.25 -1.51 -0.18 -2.87 116.25 114.39 1j8i h VAL 59 Ca 0.05 -1.72 0.05 0.00 -1.23 0.00 0.00 66.70 63.86 1j8i h VAL 59 Cb 0.34 1.70 -0.06 0.00 -2.13 0.00 0.00 31.29 31.14 1j8i h VAL 59 CO 0.01 0.54 0.62 0.58 -1.23 0.00 0.00 177.57 178.08 1j8i h VAL 60 N 0.43 1.12 -0.34 7.19 2.07 0.03 1.37 116.25 128.14 1j8i h VAL 60 Ca 0.02 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1j8i h VAL 60 Cb 1.02 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1j8i h VAL 60 CO 0.09 0.21 0.18 -0.09 0.02 0.00 0.00 177.57 177.99 1j8i h ARG 61 N 1.16 0.37 -0.10 1.57 1.12 -0.94 -2.55 114.38 115.01 1j8i h ARG 61 Ca 0.40 -0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 59.03 1j8i h ARG 61 Cb 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1j8i h ARG 61 CO -0.15 0.24 -0.80 1.03 -3.11 0.00 0.00 179.97 177.19 1j8i h SER 62 N 0.38 0.72 -1.31 -3.80 0.87 -1.22 -3.16 113.55 106.03 1j8i h SER 62 Ca 0.14 -0.49 0.42 0.00 -1.23 0.00 0.00 61.79 60.62 1j8i h SER 62 Cb 0.02 -0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 61.65 1j8i h SER 62 CO -0.08 1.27 0.85 0.24 -0.53 0.00 0.00 176.83 178.58 1j8i h MET 63 N 0.40 0.11 -0.75 2.24 2.86 0.22 1.54 114.93 121.56 1j8i h MET 63 Ca -0.05 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1j8i h MET 63 Cb 1.41 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.00 1j8i h MET 63 CO 0.15 0.07 0.48 0.22 1.06 0.00 0.00 176.91 178.89 1j8i h ASP 64 N 0.12 0.79 -0.32 1.22 3.58 -1.48 0.73 116.42 121.05 1j8i h ASP 64 Ca 0.79 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 58.12 1j8i h ASP 64 Cb 2.48 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 43.35 1j8i h ASP 64 CO -0.38 0.54 -0.26 0.03 -2.88 0.00 0.00 179.24 176.29 1j8i h ARG 65 N 0.93 0.75 -0.46 0.28 3.08 0.20 0.57 114.38 119.72 1j8i h ARG 65 Ca 0.30 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1j8i h ARG 65 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1j8i h ARG 65 CO -0.11 0.99 0.05 -0.22 -1.07 0.00 0.00 179.97 179.61 1j8i h LYS 66 N 0.51 0.72 -0.66 0.04 1.63 -0.58 -2.52 116.57 115.72 1j8i h LYS 66 Ca 0.06 -0.16 -0.43 0.00 -0.85 0.00 0.00 60.65 59.26 1j8i h LYS 66 Cb 0.83 -0.10 -0.26 0.00 -0.60 0.00 0.00 32.23 32.10 1j8i h LYS 66 CO 0.07 0.70 -0.04 0.45 -3.45 0.00 0.00 179.45 177.18 1j8i n SER 67 N -4.26 4.50 0.08 4.20 2.88 0.25 -4.67 113.62 116.60 1j8i n SER 67 Ca 0.03 -3.77 -0.13 0.00 -1.33 0.00 0.00 58.87 53.67 1j8i n SER 67 Cb 0.26 -0.64 -0.08 0.00 -0.75 0.00 0.00 64.21 62.99 1j8i n SER 67 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1j8i h ASN 68 N 1.59 -0.20 -2.15 -3.46 4.21 0.61 -2.43 115.58 113.75 1j8i h ASN 68 Ca 0.38 -0.30 -0.68 0.00 1.21 0.00 0.00 56.30 56.91 1j8i h ASN 68 Cb 1.50 0.05 -0.36 0.00 -1.12 0.00 0.00 38.32 38.39 1j8i h ASN 68 CO 0.83 0.23 0.06 0.41 -1.29 0.00 0.00 177.43 177.67 1j8i n THR 69 N -5.00 4.04 0.00 2.81 -1.04 -1.26 -4.50 114.28 109.33 1j8i n THR 69 Ca -0.09 -5.51 0.00 0.00 -2.04 0.00 0.00 64.05 56.41 1j8i n THR 69 Cb 0.25 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1j8i n THR 69 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1j8i n ARG 70 N -0.25 0.00 0.00 -2.82 3.00 -1.25 -4.88 116.66 110.47 1j8i n ARG 70 Ca 0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 58.12 1j8i n ARG 70 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.75 1j8i n ARG 70 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1j8i h ASN 71 N 0.00 -1.40 0.42 6.15 -1.24 -1.66 -2.59 115.58 115.27 1j8i h ASN 71 Ca 0.00 0.16 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1j8i h ASN 71 Cb 0.00 0.54 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1j8i h ASN 71 CO 0.00 -0.40 -0.20 -1.13 -1.29 0.00 0.00 177.43 174.41 1j8i h ASN 72 N -0.49 -0.48 -5.78 1.15 -0.73 -1.83 -3.48 115.58 103.94 1j8i h ASN 72 Ca 0.02 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1j8i h ASN 72 Cb 0.56 0.12 0.01 0.00 0.27 0.00 0.00 38.32 39.28 1j8i h ASN 72 CO -0.34 -0.29 -0.85 0.80 -0.37 0.00 0.00 177.43 176.38 1j8i n MET 73 N -5.31 -2.19 -4.22 6.67 1.56 -0.98 -5.03 117.12 107.63 1j8i n MET 73 Ca -0.11 1.86 -0.16 0.00 -0.27 0.00 0.00 57.70 59.02 1j8i n MET 73 Cb 0.25 -4.03 -0.11 0.00 2.15 0.00 0.00 33.22 31.49 1j8i n MET 73 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1j8i s ILE 74 N -1.96 1.15 -0.47 1.12 -0.00 -1.26 -5.09 121.20 114.69 1j8i s ILE 74 Ca 0.24 -1.75 0.06 0.00 -0.00 0.00 0.00 60.65 59.21 1j8i s ILE 74 Cb -0.04 -1.52 0.22 0.00 -0.00 0.00 0.00 42.46 41.11 1j8i s ILE 74 CO 0.74 -0.53 0.69 0.00 -0.00 0.00 0.00 174.94 175.84 1j8i n GLN 75 N 0.42 0.61 -3.01 0.37 6.02 -1.26 -5.04 117.38 115.48 1j8i n GLN 75 Ca -0.15 -2.31 -0.13 0.00 -0.01 0.00 0.00 57.00 54.41 1j8i n GLN 75 Cb 0.58 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 1j8i n GLN 75 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1j8i s THR 76 N 0.31 -0.49 0.92 5.09 -1.32 -1.26 -5.14 115.64 113.75 1j8i s THR 76 Ca 0.32 -1.62 -0.17 0.00 -1.21 0.00 0.00 61.69 59.01 1j8i s THR 76 Cb 0.12 -0.48 -0.13 0.00 -1.51 0.00 0.00 72.50 70.50 1j8i s THR 76 CO -0.16 -0.48 -0.59 2.29 -2.21 0.00 0.00 174.62 173.48 1j8i n LYS 77 N 2.93 -0.01 -1.64 7.08 2.85 -1.26 -4.90 118.16 123.20 1j8i n LYS 77 Ca 0.22 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.17 1j8i n LYS 77 Cb 0.53 -1.08 0.04 0.00 -0.65 0.00 0.00 35.03 33.87 1j8i n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1j8i s PRO 78 N -1.99 3.00 0.32 -1.58 0.04 -1.26 -5.08 135.00 128.45 1j8i s PRO 78 Ca 0.44 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.55 1j8i s PRO 78 Cb -0.23 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1j8i s PRO 78 CO 0.79 -1.05 -0.09 0.99 0.04 0.00 0.00 177.00 177.68 1j8i s THR 79 N -2.97 2.02 0.00 1.26 2.01 -1.26 -5.12 115.64 111.58 1j8i s THR 79 Ca 0.59 -2.18 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1j8i s THR 79 Cb -0.14 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1j8i s THR 79 CO 0.52 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1j8i n GLY 80 N -0.71 -1.27 4.01 4.40 0.00 -1.26 -5.18 105.19 105.19 1j8i n GLY 80 Ca -0.05 0.97 -0.20 0.00 0.00 0.00 0.00 46.02 46.74 1j8i n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8i s THR 81 N 0.00 2.38 0.23 2.61 2.01 -1.26 -5.13 115.64 116.48 1j8i s THR 81 Ca 0.00 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1j8i s THR 81 Cb 0.00 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 70.02 1j8i s THR 81 CO 0.00 0.00 0.55 -1.58 -0.69 0.00 0.00 174.62 172.90 1j8i s GLN 82 N -4.71 1.54 0.23 4.92 0.74 -1.26 -5.17 119.66 115.95 1j8i s GLN 82 Ca 0.61 -1.04 -0.04 0.00 0.05 0.00 0.00 55.36 54.94 1j8i s GLN 82 Cb -0.07 0.52 -0.05 0.00 1.10 0.00 0.00 33.01 34.51 1j8i s GLN 82 CO 0.39 -0.66 0.47 -1.14 -0.55 0.00 0.00 175.29 173.80 1j8i s GLN 83 N -3.94 3.61 0.14 1.67 -0.44 -1.26 -5.11 119.66 114.33 1j8i s GLN 83 Ca 0.15 -0.10 0.00 0.00 -2.50 0.00 0.00 55.36 52.91 1j8i s GLN 83 Cb -0.02 -2.74 -0.04 0.00 -1.64 0.00 0.00 33.01 28.57 1j8i s GLN 83 CO 0.04 0.32 0.02 0.45 0.50 0.00 0.00 175.29 176.62 1j8i s SER 84 N -2.97 0.76 0.33 6.67 0.15 -1.26 -5.17 113.70 112.21 1j8i s SER 84 Ca 0.42 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1j8i s SER 84 Cb -0.11 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1j8i s SER 84 CO 0.28 -0.63 0.00 1.07 1.20 0.00 0.00 173.24 175.16 1j8i n THR 85 N -0.13 0.00 -3.51 6.45 5.66 -1.26 -5.10 114.28 116.39 1j8i n THR 85 Ca -0.07 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.77 1j8i n THR 85 Cb 0.63 -0.95 -0.05 0.00 -1.55 0.00 0.00 70.33 68.41 1j8i n THR 85 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1j8i s ASN 86 N -1.52 -0.61 0.26 1.09 -0.87 -1.26 -5.18 114.94 106.84 1j8i s ASN 86 Ca 0.00 0.54 0.05 0.00 -1.57 0.00 0.00 52.86 51.88 1j8i s ASN 86 Cb 0.00 0.53 -0.02 0.00 -0.02 0.00 0.00 41.25 41.74 1j8i s ASN 86 CO 0.00 -0.66 0.25 0.35 -2.57 0.00 0.00 177.10 174.47 1j8i n THR 87 N 0.63 0.00 -2.72 1.60 -2.24 -1.26 -5.11 114.28 105.17 1j8i n THR 87 Ca -0.18 -1.86 -0.07 0.00 -2.27 0.00 0.00 64.05 59.68 1j8i n THR 87 Cb 0.59 0.95 0.07 0.00 -2.10 0.00 0.00 70.33 69.83 1j8i n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8i n ALA 88 N -1.19 -2.00 -3.48 6.98 0.00 -1.26 -5.11 120.51 114.45 1j8i n ALA 88 Ca -0.09 -1.06 -0.20 0.00 0.00 0.00 0.00 53.44 52.09 1j8i n ALA 88 Cb 0.48 -1.92 -0.13 0.00 0.00 0.00 0.00 19.45 17.88 1j8i n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j8i s VAL 89 N 0.45 -0.30 0.57 0.00 0.11 -1.26 -5.15 120.40 114.82 1j8i s VAL 89 Ca 0.28 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 1j8i s VAL 89 Cb 0.24 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1j8i s VAL 89 CO -0.18 -0.32 1.02 0.28 -3.33 0.00 0.00 175.10 172.57 1j8i s THR 90 N 2.30 4.40 1.00 5.04 -1.32 -1.26 -4.99 115.64 120.81 1j8i s THR 90 Ca 0.07 1.02 -0.17 0.00 -1.21 0.00 0.00 61.69 61.40 1j8i s THR 90 Cb -0.15 -3.67 -0.14 0.00 -1.51 0.00 0.00 72.50 67.03 1j8i s THR 90 CO -0.19 -0.79 -0.73 0.00 -2.21 0.00 0.00 174.62 170.71 1j8i n LEU 91 N -2.10 -5.58 -4.51 9.08 -0.00 -1.26 -4.89 117.00 107.74 1j8i n LEU 91 Ca 0.07 0.19 -0.29 0.00 -0.00 0.00 0.00 56.01 55.98 1j8i n LEU 91 Cb 0.54 -0.79 0.24 0.00 -0.00 0.00 0.00 43.42 43.41 1j8i n LEU 91 CO 0.50 -5.84 0.54 0.42 -0.00 0.00 0.00 177.39 173.02 1j8i s THR 92 N -2.03 1.79 0.00 1.47 -4.23 -1.26 -5.31 115.64 106.07 1j8i s THR 92 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1j8i s THR 92 Cb -0.18 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1j8i s THR 92 CO 0.82 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.51