#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8i s GLY 2 N 0.00 -0.41 0.92 2.92 0.00 -1.26 -5.17 107.32 104.33 1j8i s GLY 2 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 44.72 45.90 1j8i s GLY 2 CO 0.00 0.52 1.12 -0.56 0.00 0.00 0.00 173.10 174.18 1j8i s SER 3 N -2.12 3.35 0.42 1.64 0.01 -1.26 -5.02 113.70 110.72 1j8i s SER 3 Ca 0.04 1.09 -0.22 0.00 1.31 0.00 0.00 55.95 58.16 1j8i s SER 3 Cb -0.01 -1.71 -0.10 0.00 0.21 0.00 0.00 66.02 64.41 1j8i s SER 3 CO -0.06 -2.66 0.99 -1.61 0.41 0.00 0.00 173.24 170.30 1j8i s GLU 4 N -5.16 4.19 -0.33 12.44 0.41 -1.26 -4.32 118.70 124.66 1j8i s GLU 4 Ca 0.64 1.28 -0.29 0.00 -0.41 0.00 0.00 54.97 56.19 1j8i s GLU 4 Cb -0.16 -2.33 0.04 0.00 -1.78 0.00 0.00 34.13 29.90 1j8i s GLU 4 CO 0.55 -0.08 0.49 1.55 -0.49 0.00 0.00 175.26 177.28 1j8i n VAL 5 N -0.40 -3.74 0.25 2.63 3.14 -1.26 -4.90 118.33 114.05 1j8i n VAL 5 Ca 0.06 0.23 0.03 0.00 -2.96 0.00 0.00 64.34 61.70 1j8i n VAL 5 Cb 0.52 -3.56 -0.04 0.00 -1.06 0.00 0.00 33.84 29.71 1j8i n VAL 5 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1j8i n SER 6 N 0.20 0.73 0.00 6.55 2.88 -1.26 -4.77 113.62 117.95 1j8i n SER 6 Ca -0.06 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1j8i n SER 6 Cb 0.63 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 65.12 1j8i n SER 6 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j8i n ASP 7 N -1.22 1.06 -4.10 -3.46 8.00 -1.26 -5.09 116.55 110.48 1j8i n ASP 7 Ca 0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.21 1j8i n ASP 7 Cb 0.10 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.41 1j8i n ASP 7 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1j8i s LYS 8 N -1.76 -0.13 0.03 -1.24 0.00 -1.26 -5.05 119.74 110.33 1j8i s LYS 8 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 55.97 55.85 1j8i s LYS 8 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 37.83 36.10 1j8i s LYS 8 CO 0.00 -2.98 0.00 -2.13 0.00 0.00 0.00 175.35 170.24 1j8i n ARG 9 N -4.23 0.00 0.00 1.78 3.00 -1.26 -4.90 116.66 111.05 1j8i n ARG 9 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1j8i n ARG 9 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 33.01 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 -2.64 0.00 0.00 5.15 -1.04 -1.26 -5.08 114.28 109.40 1j8i n THR 10 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j8i n THR 10 Cb 0.00 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 -0.91 0.00 -3.57 0.00 0.31 -1.26 -5.00 118.33 107.90 1j8i n VAL 12 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1j8i n VAL 12 Cb 0.00 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1j8i n VAL 12 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1j8i n SER 13 N -0.06 1.71 -4.88 4.52 7.64 -1.26 -5.05 113.62 116.25 1j8i n SER 13 Ca 0.00 -0.71 -0.32 0.00 1.01 0.00 0.00 58.87 58.86 1j8i n SER 13 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1j8i n SER 13 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1j8i s LEU 14 N 0.00 4.17 0.00 -3.43 1.43 -1.26 -4.09 118.68 115.49 1j8i s LEU 14 Ca 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1j8i s LEU 14 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1j8i s LEU 14 CO 0.00 -0.07 0.00 0.41 0.23 0.00 0.00 176.35 176.92 1j8i n THR 15 N -0.19 0.00 -0.68 5.49 -1.04 -0.09 -4.82 114.28 112.95 1j8i n THR 15 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j8i n THR 15 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.00 12.58 5.66 -1.26 -4.89 114.28 126.37 1j8i n THR 16 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1j8i n THR 16 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1j8i n THR 16 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1j8i n GLN 17 N -2.63 0.00 -2.60 1.09 7.27 -1.26 -5.11 117.38 114.14 1j8i n GLN 17 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1j8i n GLN 17 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1j8i n GLN 17 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1j8i s ARG 18 N 0.00 3.40 -0.08 3.69 3.52 -1.26 -5.00 118.95 123.22 1j8i s ARG 18 Ca 0.00 0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.55 1j8i s ARG 18 Cb 0.00 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1j8i s ARG 18 CO 0.00 -1.81 0.24 -0.51 -0.81 0.00 0.00 175.30 172.40 1j8i s LEU 19 N 5.10 4.42 0.12 -0.88 1.02 -1.26 -5.06 118.68 122.14 1j8i s LEU 19 Ca 0.39 0.65 -0.30 0.00 0.02 0.00 0.00 54.13 54.89 1j8i s LEU 19 Cb -0.08 -2.26 -0.07 0.00 0.02 0.00 0.00 46.19 43.81 1j8i s LEU 19 CO 0.22 0.38 1.14 -2.16 0.02 0.00 0.00 176.35 175.94 1j8i s PRO 20 N -1.04 4.52 0.50 1.29 0.04 -1.26 -4.90 135.00 134.15 1j8i s PRO 20 Ca 0.18 1.74 0.27 0.00 0.04 0.00 0.00 61.00 63.23 1j8i s PRO 20 Cb -0.14 -3.31 1.35 0.00 0.04 0.00 0.00 34.50 32.45 1j8i s PRO 20 CO 0.07 -0.08 1.88 0.28 0.04 0.00 0.00 177.00 179.19 1j8i h VAL 21 N 4.09 0.59 0.00 -0.36 2.07 -1.91 1.31 116.25 122.03 1j8i h VAL 21 Ca -0.43 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1j8i h VAL 21 Cb 1.21 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1j8i h VAL 21 CO 0.76 0.02 -0.04 -1.28 0.02 0.00 0.00 177.57 177.06 1j8i h SER 22 N 0.13 0.00 0.33 0.57 0.87 -1.95 -1.39 113.55 112.11 1j8i h SER 22 Ca 0.44 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.77 1j8i h SER 22 Cb 1.54 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 1j8i h SER 22 CO -0.07 0.04 -1.88 -1.14 -0.53 0.00 0.00 176.83 173.25 1j8i n ARG 23 N -3.80 0.65 -2.93 2.24 3.00 0.44 -4.91 116.66 111.34 1j8i n ARG 23 Ca -0.03 0.10 -0.38 0.00 -0.00 0.00 0.00 57.85 57.54 1j8i n ARG 23 Cb 0.13 -1.67 -0.06 0.00 0.00 0.00 0.00 32.46 30.86 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 -2.80 4.34 0.00 5.15 1.01 -0.31 -3.19 121.20 125.40 1j8i s ILE 24 Ca -0.06 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1j8i s ILE 24 Cb 0.08 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1j8i s ILE 24 CO 0.83 0.36 0.00 1.17 0.00 0.00 0.00 174.94 177.30 1j8i n LYS 25 N 1.14 0.00 -4.57 2.79 0.00 0.33 -4.84 118.16 113.01 1j8i n LYS 25 Ca -0.03 0.07 -0.27 0.00 0.00 0.00 0.00 58.31 58.09 1j8i n LYS 25 Cb 0.49 -0.40 -0.09 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.26 1.09 0.08 3.15 -1.32 -0.99 -4.52 115.64 112.87 1j8i s THR 26 Ca 0.00 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.42 1j8i s THR 26 Cb 0.00 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 1j8i s THR 26 CO 0.00 0.00 0.12 -0.72 -2.21 0.00 0.00 174.62 171.81 1j8i s TYR 27 N -3.08 0.30 -0.03 9.09 1.13 -1.26 0.13 117.35 123.64 1j8i s TYR 27 Ca 0.24 -0.77 -0.01 0.00 -1.41 0.00 0.00 57.07 55.12 1j8i s TYR 27 Cb 0.05 -0.18 0.03 0.00 -1.10 0.00 0.00 41.96 40.76 1j8i s TYR 27 CO 0.12 -0.50 0.03 0.99 -2.51 0.00 0.00 175.55 173.69 1j8i s THR 28 N -3.89 -0.01 -0.10 -3.49 2.01 0.28 -4.93 115.64 105.51 1j8i s THR 28 Ca 0.07 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 1j8i s THR 28 Cb 0.06 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1j8i s THR 28 CO -0.10 0.13 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.31 1j8i s ILE 29 N 1.41 4.06 0.32 1.82 1.01 -1.26 0.21 121.20 128.77 1j8i s ILE 29 Ca -0.05 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1j8i s ILE 29 Cb -0.13 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1j8i s ILE 29 CO -0.03 0.57 0.24 0.42 0.00 0.00 0.00 174.94 176.14 1j8i s THR 30 N -0.49 3.60 -0.00 2.92 -4.23 -0.72 -4.99 115.64 111.73 1j8i s THR 30 Ca 0.08 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1j8i s THR 30 Cb -0.12 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.53 1j8i s THR 30 CO 0.02 -0.22 0.03 -0.62 -0.54 0.00 0.00 174.62 173.30 1j8i n GLU 31 N -1.28 0.19 -0.12 3.99 4.71 -1.26 -3.82 120.64 123.05 1j8i n GLU 31 Ca -0.03 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.16 57.06 1j8i n GLU 31 Cb 0.60 -1.02 0.04 0.00 -1.01 0.00 0.00 31.44 30.04 1j8i n GLU 31 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j8i n GLY 32 N 2.39 -2.72 0.60 0.62 0.00 -1.26 -4.40 105.19 100.42 1j8i n GLY 32 Ca -0.00 -1.42 0.40 0.00 0.00 0.00 0.00 46.02 45.00 1j8i n GLY 32 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j8i h SER 33 N -1.42 0.00 0.49 1.61 0.02 -2.04 0.85 113.55 113.06 1j8i h SER 33 Ca -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1j8i h SER 33 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1j8i h SER 33 CO 0.04 0.00 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.42 1j8i h LEU 34 N 0.00 -0.56 -1.71 5.07 3.38 -1.93 -3.45 115.31 116.10 1j8i h LEU 34 Ca 0.68 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 58.04 1j8i h LEU 34 Cb 3.09 0.15 -0.25 0.00 0.09 0.00 0.00 40.66 43.74 1j8i h LEU 34 CO -0.01 -0.25 -0.82 -1.14 0.09 0.00 0.00 178.44 176.31 1j8i n ARG 35 N -5.29 -0.87 -4.28 1.13 0.63 0.30 -4.89 116.66 103.38 1j8i n ARG 35 Ca -0.11 0.10 -0.18 0.00 -0.92 0.00 0.00 57.85 56.73 1j8i n ARG 35 Cb 0.31 -3.52 -0.11 0.00 0.45 0.00 0.00 32.46 29.60 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 -3.70 1.70 -0.15 5.13 0.00 -1.25 -4.67 121.76 118.83 1j8i s ALA 36 Ca 0.30 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1j8i s ALA 36 Cb -0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1j8i s ALA 36 CO 0.88 0.08 0.30 0.14 0.00 0.00 0.00 175.76 177.16 1j8i s VAL 37 N -2.56 5.30 -0.16 0.00 -7.23 -0.02 -1.76 120.40 113.97 1j8i s VAL 37 Ca 0.15 0.58 -0.06 0.00 -1.81 0.00 0.00 61.98 60.83 1j8i s VAL 37 Cb -0.03 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1j8i s VAL 37 CO 0.04 0.39 0.04 -0.63 -0.31 0.00 0.00 175.10 174.64 1j8i s ILE 38 N 0.44 4.65 -0.22 -0.62 -1.09 0.57 0.13 121.20 125.06 1j8i s ILE 38 Ca 0.17 -0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 1j8i s ILE 38 Cb -0.13 -3.06 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1j8i s ILE 38 CO 0.04 0.50 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.80 1j8i s PHE 39 N 0.03 2.96 -0.18 3.97 0.08 0.36 0.10 117.98 125.30 1j8i s PHE 39 Ca 0.05 -1.45 -0.11 0.00 0.12 0.00 0.00 56.93 55.54 1j8i s PHE 39 Cb -0.12 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 1j8i s PHE 39 CO 0.01 -0.71 0.18 0.42 -0.10 0.00 0.00 175.22 175.02 1j8i s ILE 40 N 1.35 5.38 0.47 0.64 1.01 0.35 -0.39 121.20 130.02 1j8i s ILE 40 Ca 0.03 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.05 1j8i s ILE 40 Cb -0.15 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1j8i s ILE 40 CO -0.07 0.44 0.64 0.42 0.00 0.00 0.00 174.94 176.38 1j8i s THR 41 N 0.25 2.76 0.21 2.92 -4.23 -0.56 0.12 115.64 117.11 1j8i s THR 41 Ca 0.11 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.58 1j8i s THR 41 Cb -0.12 -2.79 0.11 0.00 1.34 0.00 0.00 72.50 71.04 1j8i s THR 41 CO 0.00 0.00 1.72 0.11 -0.54 0.00 0.00 174.62 175.91 1j8i h LYS 42 N 0.47 1.09 0.00 3.99 6.56 -1.88 -1.47 116.57 125.34 1j8i h LYS 42 Ca -0.38 -0.27 -0.00 0.00 -1.06 0.00 0.00 60.65 58.94 1j8i h LYS 42 Cb 1.28 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1j8i h LYS 42 CO 0.44 0.98 -0.01 -0.09 -2.06 0.00 0.00 179.45 178.71 1j8i h ARG 43 N 1.03 0.00 0.00 3.15 2.43 -1.95 -3.45 114.38 115.59 1j8i h ARG 43 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1j8i h ARG 43 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1j8i h ARG 43 CO 0.01 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 1j8i n GLY 44 N -1.01 0.77 3.63 2.80 0.00 -0.55 -5.06 105.19 105.77 1j8i n GLY 44 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.89 -0.16 0.99 1.43 -1.26 -4.74 118.68 118.83 1j8i s LEU 45 Ca 0.00 0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 53.98 1j8i s LEU 45 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1j8i s LEU 45 CO 0.00 -0.93 0.09 -0.54 0.23 0.00 0.00 176.35 175.20 1j8i s LYS 46 N 3.76 3.76 0.29 1.70 1.02 -1.26 -1.50 119.74 127.51 1j8i s LYS 46 Ca 0.46 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.22 1j8i s LYS 46 Cb -0.11 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 1j8i s LYS 46 CO 0.18 0.48 0.05 0.54 -0.92 0.00 0.00 175.35 175.67 1j8i s VAL 47 N -0.18 1.07 0.18 3.17 0.11 0.48 -4.56 120.40 120.67 1j8i s VAL 47 Ca 0.09 -2.01 0.10 0.00 -2.93 0.00 0.00 61.98 57.22 1j8i s VAL 47 Cb -0.12 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 1j8i s VAL 47 CO 0.01 -0.08 -0.16 0.00 -3.33 0.00 0.00 175.10 171.54 1j8i s ALA 49 N -1.66 -0.41 -0.08 0.00 0.00 0.35 -0.92 121.76 119.04 1j8i s ALA 49 Ca 0.23 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1j8i s ALA 49 Cb -0.09 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 1j8i s ALA 49 CO 0.13 -0.36 0.99 0.34 0.00 0.00 0.00 175.76 176.86 1j8i s ASP 50 N -2.03 7.26 0.00 0.00 -1.08 -1.26 -0.85 116.67 118.71 1j8i s ASP 50 Ca -0.06 1.54 0.23 0.00 -0.52 0.00 0.00 52.55 53.75 1j8i s ASP 50 Cb -0.01 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.15 1j8i s ASP 50 CO -0.03 -0.40 1.76 -0.81 0.52 0.00 0.00 175.17 176.21 1j8i n PRO 51 N 4.75 0.49 0.18 4.34 -0.04 -1.26 -2.39 135.00 141.07 1j8i n PRO 51 Ca 0.08 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1j8i n PRO 51 Cb 0.49 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1j8i n PRO 51 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1j8i h GLN 52 N 0.00 0.00 -6.69 0.54 3.07 -1.94 -3.44 115.11 106.65 1j8i h GLN 52 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 1j8i h GLN 52 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 1j8i h GLN 52 CO 0.00 0.07 0.40 0.00 0.09 0.00 0.00 178.83 179.39 1j8i s ALA 53 N -3.21 3.34 0.18 0.06 0.00 -1.00 -4.95 121.76 116.17 1j8i s ALA 53 Ca 0.04 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 1j8i s ALA 53 Cb 0.07 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1j8i s ALA 53 CO 0.71 -0.01 1.51 1.15 0.00 0.00 0.00 175.76 179.13 1j8i h THR 54 N 3.50 1.29 -0.99 0.00 2.02 -1.89 -1.65 112.91 115.19 1j8i h THR 54 Ca -0.45 -1.65 0.02 0.00 0.77 0.00 0.00 66.41 65.11 1j8i h THR 54 Cb 1.21 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.13 1j8i h THR 54 CO 0.70 0.53 0.66 4.11 0.37 0.00 0.00 175.52 181.88 1j8i h TRP 55 N 0.57 1.24 -0.12 3.16 5.08 -1.95 0.59 115.95 124.53 1j8i h TRP 55 Ca 0.03 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.02 1j8i h TRP 55 Cb 1.01 -0.42 -0.00 0.00 -3.00 0.00 0.00 29.16 26.75 1j8i h TRP 55 CO 0.05 0.76 -0.00 0.28 -1.28 0.00 0.00 178.44 178.25 1j8i h VAL 56 N 1.32 1.25 -0.41 0.12 2.07 -1.78 0.83 116.25 119.66 1j8i h VAL 56 Ca 0.37 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1j8i h VAL 56 Cb -0.11 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1j8i h VAL 56 CO -0.09 0.24 0.19 0.03 0.02 0.00 0.00 177.57 177.96 1j8i h ARG 57 N -0.06 0.56 -0.22 1.57 3.08 -0.57 0.12 114.38 118.86 1j8i h ARG 57 Ca 0.03 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1j8i h ARG 57 Cb 0.36 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1j8i h ARG 57 CO 0.01 0.44 -0.21 0.22 -1.07 0.00 0.00 179.97 179.35 1j8i h ASP 58 N 0.57 0.57 -0.48 7.04 1.82 0.44 -2.59 116.42 123.78 1j8i h ASP 58 Ca 0.14 -0.47 -0.04 0.00 -0.39 0.00 0.00 57.03 56.27 1j8i h ASP 58 Cb 0.07 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 39.89 1j8i h ASP 58 CO -0.02 0.93 0.18 0.58 -1.61 0.00 0.00 179.24 179.30 1j8i h VAL 59 N 0.23 1.21 -0.91 2.25 2.07 -0.16 -1.80 116.25 119.13 1j8i h VAL 59 Ca 0.04 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1j8i h VAL 59 Cb 0.76 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1j8i h VAL 59 CO 0.05 0.26 0.59 0.58 0.02 0.00 0.00 177.57 179.08 1j8i h VAL 60 N 0.77 1.17 -0.30 2.57 2.07 -0.61 1.49 116.25 123.41 1j8i h VAL 60 Ca 0.18 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1j8i h VAL 60 Cb 0.20 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1j8i h VAL 60 CO -0.01 0.21 0.19 -0.09 0.02 0.00 0.00 177.57 177.89 1j8i h ARG 61 N 1.16 0.41 -0.02 1.57 1.12 -0.94 1.46 114.38 119.13 1j8i h ARG 61 Ca 0.35 -0.03 -0.16 0.00 -1.11 0.00 0.00 59.98 59.03 1j8i h ARG 61 Cb -0.03 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.83 1j8i h ARG 61 CO -0.11 0.29 -0.71 1.03 -3.11 0.00 0.00 179.97 177.36 1j8i h SER 62 N 0.40 0.15 0.27 -3.80 0.87 -0.97 -1.82 113.55 108.64 1j8i h SER 62 Ca 0.11 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1j8i h SER 62 Cb -0.02 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1j8i h SER 62 CO -0.02 0.81 -0.13 -0.03 -0.53 0.00 0.00 176.83 176.93 1j8i h MET 63 N 0.08 -0.35 -0.57 2.24 1.85 0.26 0.15 114.93 118.59 1j8i h MET 63 Ca -0.02 0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.18 1j8i h MET 63 Cb 1.26 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 33.31 1j8i h MET 63 CO 0.10 -0.07 0.21 0.22 -0.40 0.00 0.00 176.91 176.97 1j8i h ASP 64 N -1.01 0.22 0.64 1.39 3.58 0.19 1.67 116.42 123.10 1j8i h ASP 64 Ca -0.04 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1j8i h ASP 64 Cb 0.44 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1j8i h ASP 64 CO 0.06 0.14 -0.30 0.08 -2.88 0.00 0.00 179.24 176.34 1j8i h ARG 65 N 0.40 0.00 0.16 0.28 0.11 -1.41 1.61 114.38 115.53 1j8i h ARG 65 Ca 0.28 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.07 1j8i h ARG 65 Cb 0.32 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.42 1j8i h ARG 65 CO -0.28 0.30 -1.31 -0.22 0.10 0.00 0.00 179.97 178.56 1j8i h LYS 66 N 0.00 0.34 -1.37 0.08 1.63 0.23 -3.36 116.57 114.13 1j8i h LYS 66 Ca -0.00 -0.59 -0.50 0.00 -0.85 0.00 0.00 60.65 58.71 1j8i h LYS 66 Cb 0.70 0.22 -0.41 0.00 -0.60 0.00 0.00 32.23 32.14 1j8i h LYS 66 CO 0.04 1.28 -0.92 0.45 -3.45 0.00 0.00 179.45 176.85 1j8i n SER 67 N -3.58 3.36 -0.04 4.20 2.88 0.54 -4.79 113.62 116.19 1j8i n SER 67 Ca -0.11 -3.32 -0.10 0.00 -1.33 0.00 0.00 58.87 54.02 1j8i n SER 67 Cb 1.05 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 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 2.77 -0.04 0.08 -3.46 4.21 0.22 -3.21 115.58 116.15 1j8i h ASN 68 Ca 0.14 -0.59 -0.29 0.00 1.21 0.00 0.00 56.30 56.77 1j8i h ASN 68 Cb 1.00 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 1j8i h ASN 68 CO 0.71 0.72 -1.56 0.00 -1.29 0.00 0.00 177.43 176.01 1j8i h THR 69 N -0.95 0.86 -1.06 2.81 1.03 -1.89 -3.35 112.91 110.36 1j8i h THR 69 Ca -0.00 -2.31 0.30 0.00 -0.01 0.00 0.00 66.41 64.38 1j8i h THR 69 Cb 0.63 2.51 -0.12 0.00 -1.07 0.00 0.00 68.15 70.09 1j8i h THR 69 CO 0.01 0.66 0.66 0.03 -0.01 0.00 0.00 175.52 176.86 1j8i h ARG 70 N -0.38 0.37 -0.96 0.00 3.08 -1.87 0.40 114.38 115.02 1j8i h ARG 70 Ca -0.36 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.78 1j8i h ARG 70 Cb 1.72 -0.08 -0.13 0.00 0.08 0.00 0.00 29.97 31.55 1j8i h ARG 70 CO -0.01 0.24 -0.52 -0.97 -1.07 0.00 0.00 179.97 177.64 1j8i h ASN 71 N 0.38 -1.90 0.00 7.04 -0.73 -1.69 -3.41 115.58 115.26 1j8i h ASN 71 Ca 0.67 0.32 0.00 0.00 1.87 0.00 0.00 56.30 59.16 1j8i h ASN 71 Cb 1.63 0.88 0.00 0.00 0.27 0.00 0.00 38.32 41.10 1j8i h ASN 71 CO -0.43 -0.26 0.00 0.59 -0.37 0.00 0.00 177.43 176.96 1j8i n ASN 72 N -5.33 0.00 -0.35 1.15 4.13 -0.08 -5.01 115.26 109.77 1j8i n ASN 72 Ca 0.04 0.00 0.37 0.00 1.68 0.00 0.00 54.58 56.67 1j8i n ASN 72 Cb 0.31 0.00 0.71 0.00 -1.54 0.00 0.00 39.78 39.26 1j8i n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j8i h MET 73 N 0.00 0.00 -6.38 3.52 -0.00 -1.26 -3.37 114.93 107.44 1j8i h MET 73 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 59.70 59.16 1j8i h MET 73 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1j8i h MET 73 CO 0.00 0.00 0.28 0.96 -0.00 0.00 0.00 176.91 178.15 1j8i s ILE 74 N -4.78 4.76 -0.43 -0.10 -0.00 -1.26 -4.99 121.20 114.41 1j8i s ILE 74 Ca -0.04 1.88 0.07 0.00 -0.00 0.00 0.00 60.65 62.56 1j8i s ILE 74 Cb 0.21 -4.24 0.23 0.00 -0.00 0.00 0.00 42.46 38.66 1j8i s ILE 74 CO 0.73 0.26 0.58 0.00 -0.00 0.00 0.00 174.94 176.51 1j8i n GLN 75 N 3.33 0.61 -1.63 0.37 1.13 -1.26 -5.11 117.38 114.82 1j8i n GLN 75 Ca 0.02 -2.79 -0.59 0.00 -1.94 0.00 0.00 57.00 51.70 1j8i n GLN 75 Cb 0.50 -1.38 -0.08 0.00 0.11 0.00 0.00 30.24 29.40 1j8i n GLN 75 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1j8i n THR 76 N 1.87 0.07 -4.29 5.09 -1.04 -1.26 -4.95 114.28 109.78 1j8i n THR 76 Ca 0.20 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.90 1j8i n THR 76 Cb 0.54 -0.63 -0.11 0.00 -1.82 0.00 0.00 70.33 68.32 1j8i n THR 76 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1j8i s LYS 77 N 1.68 1.99 0.75 -2.82 2.20 -1.26 -5.13 119.74 117.16 1j8i s LYS 77 Ca 0.94 -1.08 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 1j8i s LYS 77 Cb -1.19 -2.22 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1j8i s LYS 77 CO 0.62 0.50 1.08 -1.25 -0.36 0.00 0.00 175.35 175.94 1j8i s PRO 78 N -2.11 2.47 1.12 4.03 0.04 -1.26 -5.04 135.00 134.25 1j8i s PRO 78 Ca 0.19 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 1j8i s PRO 78 Cb -0.11 -1.95 0.25 0.00 0.04 0.00 0.00 34.50 32.73 1j8i s PRO 78 CO 0.12 -1.39 1.07 0.99 0.04 0.00 0.00 177.00 177.83 1j8i s THR 79 N -3.10 1.86 -0.47 1.26 2.01 -1.26 -5.04 115.64 110.90 1j8i s THR 79 Ca 0.60 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1j8i s THR 79 Cb -0.14 -2.37 0.27 0.00 0.01 0.00 0.00 72.50 70.27 1j8i s THR 79 CO 0.55 0.00 0.97 0.61 -0.69 0.00 0.00 174.62 176.06 1j8i n GLY 80 N -0.47 0.37 3.38 4.40 0.00 -1.26 -5.15 105.19 106.46 1j8i n GLY 80 Ca 0.07 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 0.44 1.53 0.20 2.61 2.01 -1.26 -5.06 115.64 116.11 1j8i s THR 81 Ca 0.28 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1j8i s THR 81 Cb 0.26 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1j8i s THR 81 CO -0.16 0.00 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.16 1j8i s GLN 82 N -4.82 1.23 0.22 4.92 0.74 -1.26 -5.17 119.66 115.52 1j8i s GLN 82 Ca 0.69 -1.60 0.12 0.00 0.05 0.00 0.00 55.36 54.61 1j8i s GLN 82 Cb -0.18 -0.55 -0.05 0.00 1.10 0.00 0.00 33.01 33.34 1j8i s GLN 82 CO 0.61 -0.07 -0.22 -1.14 -0.55 0.00 0.00 175.29 173.92 1j8i s GLN 83 N -3.85 1.59 0.17 1.67 0.74 -1.26 -5.15 119.66 113.58 1j8i s GLN 83 Ca 0.25 -1.60 -0.01 0.00 0.05 0.00 0.00 55.36 54.06 1j8i s GLN 83 Cb 0.05 -1.83 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 1j8i s GLN 83 CO 0.06 0.38 0.09 -1.12 -0.55 0.00 0.00 175.29 174.15 1j8i s SER 84 N -2.95 0.31 0.31 6.67 0.01 -1.26 -5.17 113.70 111.62 1j8i s SER 84 Ca 0.24 -1.31 0.06 0.00 1.31 0.00 0.00 55.95 56.25 1j8i s SER 84 Cb -0.07 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 1j8i s SER 84 CO 0.12 -0.78 0.44 -0.89 0.41 0.00 0.00 173.24 172.54 1j8i s THR 85 N -4.07 4.42 0.15 1.44 2.01 -1.26 -5.13 115.64 113.19 1j8i s THR 85 Ca 0.32 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1j8i s THR 85 Cb 0.07 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1j8i s THR 85 CO 0.08 -0.21 0.07 0.59 -0.69 0.00 0.00 174.62 174.45 1j8i n ASN 86 N -1.59 0.66 -3.14 3.53 3.02 -1.26 -5.18 115.26 111.29 1j8i n ASN 86 Ca -0.03 -1.84 -0.17 0.00 -0.03 0.00 0.00 54.58 52.52 1j8i n ASN 86 Cb 0.58 0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 40.17 1j8i n ASN 86 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1j8i n THR 87 N -0.32 0.00 0.00 3.41 -2.24 -1.26 -5.13 114.28 108.74 1j8i n THR 87 Ca -0.01 -1.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1j8i n THR 87 Cb 0.23 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.82 0.00 -3.71 6.98 0.00 -1.26 -5.16 120.51 115.55 1j8i n ALA 88 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1j8i n ALA 88 Cb 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 0.56 0.13 0.00 0.11 -1.26 -5.14 120.40 114.80 1j8i s VAL 89 Ca 0.00 -0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1j8i s VAL 89 Cb 0.00 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1j8i s VAL 89 CO 0.00 0.26 0.05 -0.89 -3.33 0.00 0.00 175.10 171.19 1j8i s THR 90 N 1.39 4.17 -0.18 5.04 2.01 -1.26 -5.11 115.64 121.70 1j8i s THR 90 Ca -0.03 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 60.79 1j8i s THR 90 Cb -0.13 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1j8i s THR 90 CO -0.03 -0.01 0.07 -0.22 -0.69 0.00 0.00 174.62 173.74 1j8i s LEU 91 N -2.74 3.85 0.86 4.42 2.96 -1.26 -5.08 118.68 121.70 1j8i s LEU 91 Ca 0.28 0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 54.15 1j8i s LEU 91 Cb -0.11 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1j8i s LEU 91 CO 0.21 0.19 0.45 0.35 -1.32 0.00 0.00 176.35 176.22 1j8i n THR 92 N 3.46 0.74 0.00 3.68 -2.24 -1.26 -5.37 114.28 113.29 1j8i n THR 92 Ca -0.17 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1j8i n THR 92 Cb 0.52 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1j8i n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11