#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 1.97 4.77 2.92 0.00 -1.26 -4.98 105.19 108.60 1j8i n GLY 2 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.46 1j8i n GLY 2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j8i n SER 3 N 2.04 -2.40 -3.62 1.61 2.88 -1.26 -4.65 113.62 108.23 1j8i n SER 3 Ca 0.00 0.19 -0.30 0.00 -1.33 0.00 0.00 58.87 57.42 1j8i n SER 3 Cb 0.00 -0.64 0.26 0.00 -0.75 0.00 0.00 64.21 63.08 1j8i n SER 3 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j8i s GLU 4 N -0.49 -1.80 -0.46 -1.46 2.02 -1.26 -4.43 118.70 110.82 1j8i s GLU 4 Ca 0.00 -0.10 -0.36 0.00 0.02 0.00 0.00 54.97 54.52 1j8i s GLU 4 Cb 0.00 -1.53 0.05 0.00 0.10 0.00 0.00 34.13 32.75 1j8i s GLU 4 CO 0.00 -4.08 0.66 1.55 0.02 0.00 0.00 175.26 173.41 1j8i n VAL 5 N -5.02 -4.54 0.85 2.63 3.14 -1.26 -4.85 118.33 109.28 1j8i n VAL 5 Ca 0.14 0.15 0.12 0.00 -2.96 0.00 0.00 64.34 61.79 1j8i n VAL 5 Cb 0.60 -3.87 0.27 0.00 -1.06 0.00 0.00 33.84 29.78 1j8i n VAL 5 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1j8i n SER 6 N -0.26 0.51 0.00 6.55 7.64 -1.26 -4.59 113.62 122.21 1j8i n SER 6 Ca -0.08 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1j8i n SER 6 Cb 0.67 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1j8i n SER 6 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1j8i n ASP 7 N -1.72 0.00 -0.11 6.43 8.00 -1.26 -4.99 116.55 122.90 1j8i n ASP 7 Ca 0.05 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.56 1j8i n ASP 7 Cb 0.37 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1j8i n ASP 7 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1j8i n LYS 8 N -2.09 -0.25 0.01 -1.24 4.81 -1.26 -5.03 118.16 113.11 1j8i n LYS 8 Ca 0.00 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1j8i n LYS 8 Cb 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 35.03 34.76 1j8i n LYS 8 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1j8i n ARG 9 N -2.22 0.00 0.00 1.64 3.00 -1.26 -5.03 116.66 112.79 1j8i n ARG 9 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1j8i n ARG 9 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.47 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 -2.60 0.00 -1.92 5.15 -1.04 -1.26 -5.13 114.28 107.49 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 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.78 0.00 0.31 -1.26 -4.93 118.33 109.67 1j8i n VAL 12 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1j8i n VAL 12 Cb 0.00 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.29 0.91 -4.13 4.52 7.64 -1.26 -5.05 113.62 114.96 1j8i n SER 13 Ca 0.00 -0.32 -0.35 0.00 1.01 0.00 0.00 58.87 59.20 1j8i n SER 13 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 4.88 0.00 -3.43 1.43 -1.26 -4.20 118.68 116.10 1j8i s LEU 14 Ca 0.00 -1.85 0.00 0.00 -1.03 0.00 0.00 54.13 51.25 1j8i s LEU 14 Cb 0.00 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1j8i s LEU 14 CO 0.00 -0.46 0.00 0.41 0.23 0.00 0.00 176.35 176.53 1j8i n THR 15 N 4.57 0.00 -1.69 5.49 -1.04 0.18 -4.68 114.28 117.11 1j8i n THR 15 Ca -0.04 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.86 1j8i n THR 15 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 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 -0.22 -2.65 12.58 5.66 -1.26 -4.88 114.28 123.51 1j8i n THR 16 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1j8i n THR 16 Cb 0.00 -1.47 0.05 0.00 -1.55 0.00 0.00 70.33 67.36 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 -2.40 0.01 -1.52 1.09 7.27 -1.26 -5.09 117.38 115.47 1j8i n GLN 17 Ca -0.11 -0.52 -0.38 0.00 0.07 0.00 0.00 57.00 56.05 1j8i n GLN 17 Cb 0.45 0.31 -0.09 0.00 2.41 0.00 0.00 30.24 33.32 1j8i n GLN 17 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1j8i n ARG 18 N 2.17 0.50 -2.87 3.69 0.63 -1.26 -4.88 116.66 114.63 1j8i n ARG 18 Ca 0.07 -0.01 -0.36 0.00 -0.92 0.00 0.00 57.85 56.63 1j8i n ARG 18 Cb 0.69 -2.44 -0.06 0.00 0.45 0.00 0.00 32.46 31.09 1j8i n ARG 18 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1j8i s LEU 19 N 10.57 4.29 0.02 6.15 1.02 -1.26 -5.01 118.68 134.46 1j8i s LEU 19 Ca 1.18 1.70 -0.30 0.00 0.02 0.00 0.00 54.13 56.72 1j8i s LEU 19 Cb -0.73 -3.97 -0.05 0.00 0.02 0.00 0.00 46.19 41.46 1j8i s LEU 19 CO 0.38 -0.08 1.18 -2.16 0.02 0.00 0.00 176.35 175.69 1j8i s PRO 20 N -2.19 4.42 0.32 1.29 0.04 -1.26 -4.91 135.00 132.71 1j8i s PRO 20 Ca 0.50 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.32 1j8i s PRO 20 Cb -0.17 -3.41 0.74 0.00 0.04 0.00 0.00 34.50 31.70 1j8i s PRO 20 CO 0.22 -0.29 1.83 -0.24 0.04 0.00 0.00 177.00 178.56 1j8i h VAL 21 N 4.67 0.80 -0.48 -0.36 3.04 -1.95 0.56 116.25 122.53 1j8i h VAL 21 Ca -0.40 -0.27 0.09 0.00 -1.01 0.00 0.00 66.70 65.12 1j8i h VAL 21 Cb 1.20 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 1j8i h VAL 21 CO 0.82 0.14 0.33 -1.28 -1.01 0.00 0.00 177.57 176.57 1j8i h SER 22 N 0.78 0.24 0.80 3.17 0.87 -2.00 0.34 113.55 117.75 1j8i h SER 22 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1j8i h SER 22 Cb 0.75 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1j8i h SER 22 CO -0.27 0.15 -0.60 0.54 -0.53 0.00 0.00 176.83 176.11 1j8i n ARG 23 N -4.46 0.24 -3.54 2.24 5.12 0.18 -4.85 116.66 111.58 1j8i n ARG 23 Ca 0.07 0.07 -0.36 0.00 -1.93 0.00 0.00 57.85 55.70 1j8i n ARG 23 Cb 0.36 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 1j8i n ARG 23 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1j8i s ILE 24 N -3.14 5.07 0.00 0.55 1.01 0.12 -2.49 121.20 122.31 1j8i s ILE 24 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1j8i s ILE 24 Cb 0.14 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1j8i s ILE 24 CO 0.72 0.40 0.00 1.17 0.00 0.00 0.00 174.94 177.22 1j8i n LYS 25 N 1.26 0.00 -4.32 2.79 0.00 0.27 -4.80 118.16 113.35 1j8i n LYS 25 Ca -0.10 0.03 -0.17 0.00 0.00 0.00 0.00 58.31 58.07 1j8i n LYS 25 Cb 0.52 -0.23 -0.10 0.00 0.00 0.00 0.00 35.03 35.22 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 -0.24 1.09 0.17 3.15 -1.32 -1.06 -4.35 115.64 113.07 1j8i s THR 26 Ca 0.00 -2.04 0.04 0.00 -1.21 0.00 0.00 61.69 58.48 1j8i s THR 26 Cb 0.00 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.67 1j8i s THR 26 CO 0.00 -0.38 -0.08 -0.72 -2.21 0.00 0.00 174.62 171.23 1j8i s TYR 27 N -3.39 1.33 -0.04 9.09 1.13 -1.26 0.17 117.35 124.39 1j8i s TYR 27 Ca 0.27 -0.80 -0.01 0.00 -1.41 0.00 0.00 57.07 55.12 1j8i s TYR 27 Cb 0.05 -0.70 0.03 0.00 -1.10 0.00 0.00 41.96 40.24 1j8i s TYR 27 CO 0.08 0.06 0.04 0.99 -2.51 0.00 0.00 175.55 174.21 1j8i s THR 28 N -3.35 -0.04 -0.11 -3.49 2.01 0.43 -4.93 115.64 106.16 1j8i s THR 28 Ca 0.19 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 1j8i s THR 28 Cb 0.03 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1j8i s THR 28 CO 0.02 0.16 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.46 1j8i s ILE 29 N 1.78 4.09 0.39 1.82 1.01 -1.26 0.17 121.20 129.21 1j8i s ILE 29 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.41 1j8i s ILE 29 Cb -0.12 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1j8i s ILE 29 CO -0.03 0.57 0.35 0.42 0.00 0.00 0.00 174.94 176.25 1j8i s THR 30 N -0.47 2.91 0.00 2.92 -4.23 -0.81 -4.98 115.64 110.99 1j8i s THR 30 Ca 0.08 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1j8i s THR 30 Cb -0.12 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1j8i s THR 30 CO 0.02 -0.05 0.00 -0.62 -0.54 0.00 0.00 174.62 173.43 1j8i n GLU 31 N -1.49 0.75 -0.35 3.99 4.71 -1.26 -3.90 120.64 123.09 1j8i n GLU 31 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 1j8i n GLU 31 Cb 0.61 -0.94 0.08 0.00 -1.01 0.00 0.00 31.44 30.18 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 2.27 -2.49 0.69 0.62 0.00 -1.26 -4.43 105.19 100.59 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 -1.14 0.00 0.00 0.00 173.32 172.18 1j8i n SER 33 N -3.59 0.00 0.33 1.61 3.41 -1.26 0.14 113.62 114.26 1j8i n SER 33 Ca 0.05 0.95 -0.16 0.00 -0.26 0.00 0.00 58.87 59.46 1j8i n SER 33 Cb 0.19 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 1j8i n SER 33 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1j8i h LEU 34 N 0.00 -0.72 -1.95 1.04 6.46 -1.93 -3.45 115.31 114.74 1j8i h LEU 34 Ca 0.90 -0.02 -0.51 0.00 -0.12 0.00 0.00 57.88 58.14 1j8i h LEU 34 Cb 3.64 0.19 -0.19 0.00 -0.73 0.00 0.00 40.66 43.57 1j8i h LEU 34 CO -0.01 -0.39 -0.78 -1.14 -0.62 0.00 0.00 178.44 175.50 1j8i n ARG 35 N -5.38 -0.93 -4.30 1.25 0.00 0.37 -4.89 116.66 102.78 1j8i n ARG 35 Ca -0.12 0.08 -0.19 0.00 -0.00 0.00 0.00 57.85 57.62 1j8i n ARG 35 Cb 0.36 -3.04 -0.11 0.00 0.00 0.00 0.00 32.46 29.67 1j8i n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j8i s ALA 36 N -3.96 1.80 -0.28 5.13 0.00 -1.26 -4.73 121.76 118.46 1j8i s ALA 36 Ca 0.09 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 1j8i s ALA 36 Cb -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1j8i s ALA 36 CO 0.82 0.12 0.35 0.14 0.00 0.00 0.00 175.76 177.19 1j8i s VAL 37 N -2.45 5.19 -0.15 0.00 -7.23 0.15 -1.91 120.40 113.99 1j8i s VAL 37 Ca 0.16 0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 60.67 1j8i s VAL 37 Cb -0.03 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 1j8i s VAL 37 CO 0.05 0.14 0.24 -0.63 -0.31 0.00 0.00 175.10 174.59 1j8i s ILE 38 N 2.04 5.33 -0.21 -0.62 -1.09 0.46 0.10 121.20 127.22 1j8i s ILE 38 Ca 0.14 0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.99 1j8i s ILE 38 Cb -0.16 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1j8i s ILE 38 CO 0.10 0.45 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.79 1j8i s PHE 39 N 0.08 2.90 -0.15 3.97 0.08 0.16 0.16 117.98 125.18 1j8i s PHE 39 Ca 0.15 -1.37 -0.12 0.00 0.12 0.00 0.00 56.93 55.71 1j8i s PHE 39 Cb -0.13 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 1j8i s PHE 39 CO 0.03 -0.70 0.23 0.42 -0.10 0.00 0.00 175.22 175.10 1j8i s ILE 40 N 1.37 5.35 0.38 0.64 1.01 0.44 0.01 121.20 130.39 1j8i s ILE 40 Ca 0.04 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.15 1j8i s ILE 40 Cb -0.14 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1j8i s ILE 40 CO -0.08 0.45 0.54 0.42 0.00 0.00 0.00 174.94 176.28 1j8i s THR 41 N 0.09 3.90 0.22 2.92 -4.23 0.25 0.95 115.64 119.74 1j8i s THR 41 Ca 0.14 -0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1j8i s THR 41 Cb -0.12 -3.37 0.17 0.00 1.34 0.00 0.00 72.50 70.51 1j8i s THR 41 CO 0.03 -0.18 1.79 0.11 -0.54 0.00 0.00 174.62 175.83 1j8i h LYS 42 N 0.71 0.60 -0.13 3.99 6.56 -1.80 0.36 116.57 126.87 1j8i h LYS 42 Ca -0.45 -0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.14 1j8i h LYS 42 Cb 1.26 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 1j8i h LYS 42 CO 0.53 0.40 0.32 -0.09 -2.06 0.00 0.00 179.45 178.55 1j8i h ARG 43 N 0.62 0.00 0.00 3.15 1.12 -1.95 -3.44 114.38 113.89 1j8i h ARG 43 Ca 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.21 1j8i h ARG 43 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1j8i h ARG 43 CO -0.25 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.02 1j8i n GLY 44 N -1.30 0.84 3.72 2.80 0.00 0.13 -5.07 105.19 106.30 1j8i n GLY 44 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.36 -0.17 0.99 1.43 -1.24 -4.74 118.68 119.31 1j8i s LEU 45 Ca 0.00 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1j8i s LEU 45 Cb 0.00 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 1j8i s LEU 45 CO 0.00 -0.15 -0.10 -1.59 0.23 0.00 0.00 176.35 174.74 1j8i s LYS 46 N 0.75 3.38 0.37 1.70 -2.85 -1.26 0.87 119.74 122.71 1j8i s LYS 46 Ca 0.44 -0.66 0.08 0.00 -1.00 0.00 0.00 55.97 54.83 1j8i s LYS 46 Cb -0.20 -2.78 -0.05 0.00 -2.06 0.00 0.00 37.83 32.74 1j8i s LYS 46 CO 0.23 0.05 0.09 0.54 0.10 0.00 0.00 175.35 176.36 1j8i s VAL 47 N 0.80 2.53 -0.06 1.79 0.11 0.10 -4.29 120.40 121.39 1j8i s VAL 47 Ca -0.03 -1.83 0.02 0.00 -2.93 0.00 0.00 61.98 57.20 1j8i s VAL 47 Cb -0.15 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 1j8i s VAL 47 CO 0.01 -0.11 -0.11 0.00 -3.33 0.00 0.00 175.10 171.56 1j8i s ALA 49 N -0.70 0.68 -0.02 0.00 0.00 0.29 -0.65 121.76 121.36 1j8i s ALA 49 Ca 0.11 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 1j8i s ALA 49 Cb -0.11 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1j8i s ALA 49 CO 0.01 -0.12 0.72 -0.51 0.00 0.00 0.00 175.76 175.86 1j8i s ASP 50 N -2.15 7.08 0.00 0.00 1.11 -1.26 -0.67 116.67 120.77 1j8i s ASP 50 Ca -0.02 1.30 0.22 0.00 0.18 0.00 0.00 52.55 54.23 1j8i s ASP 50 Cb -0.04 -2.43 1.33 0.00 1.07 0.00 0.00 42.92 42.85 1j8i s ASP 50 CO -0.02 -0.04 1.72 -0.81 1.18 0.00 0.00 175.17 177.19 1j8i n PRO 51 N 3.28 0.75 0.03 8.23 -0.04 -1.26 -2.46 135.00 143.52 1j8i n PRO 51 Ca -0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1j8i n PRO 51 Cb 0.51 -1.47 0.49 0.00 -0.04 0.00 0.00 33.50 32.99 1j8i n PRO 51 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1j8i n GLN 52 N -0.97 0.08 -3.02 0.54 0.00 -1.26 -4.78 117.38 107.97 1j8i n GLN 52 Ca 0.17 0.05 -0.40 0.00 -0.00 0.00 0.00 57.00 56.82 1j8i n GLN 52 Cb 0.08 -1.58 -0.05 0.00 0.00 0.00 0.00 30.24 28.69 1j8i n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j8i s ALA 53 N -3.03 3.36 0.11 1.69 0.00 -1.03 -4.96 121.76 117.89 1j8i s ALA 53 Ca 0.12 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 1j8i s ALA 53 Cb 0.17 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 1j8i s ALA 53 CO 0.58 0.00 1.41 1.15 0.00 0.00 0.00 175.76 178.90 1j8i h THR 54 N 4.39 1.30 -0.35 0.00 2.02 -1.90 -1.92 112.91 116.44 1j8i h THR 54 Ca -0.43 -1.56 0.01 0.00 0.77 0.00 0.00 66.41 65.20 1j8i h THR 54 Cb 1.20 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1j8i h THR 54 CO 0.73 0.50 0.23 4.11 0.37 0.00 0.00 175.52 181.46 1j8i h TRP 55 N 0.52 0.42 -0.10 3.16 5.08 -1.97 0.28 115.95 123.34 1j8i h TRP 55 Ca 0.03 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.99 1j8i h TRP 55 Cb 0.97 -0.14 -0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1j8i h TRP 55 CO 0.07 0.26 -0.04 0.28 -1.28 0.00 0.00 178.44 177.73 1j8i h VAL 56 N 0.45 1.32 -0.57 0.12 2.07 -1.82 0.14 116.25 117.95 1j8i h VAL 56 Ca 0.13 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1j8i h VAL 56 Cb -0.01 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1j8i h VAL 56 CO -0.03 0.29 0.27 0.03 0.02 0.00 0.00 177.57 178.16 1j8i h ARG 57 N -0.16 0.80 -0.23 1.57 3.08 -0.48 0.89 114.38 119.85 1j8i h ARG 57 Ca 0.02 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1j8i h ARG 57 Cb 0.48 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1j8i h ARG 57 CO 0.01 0.63 -0.21 0.22 -1.07 0.00 0.00 179.97 179.56 1j8i h ASP 58 N 0.81 0.58 -0.26 7.04 1.82 -0.35 -1.82 116.42 124.23 1j8i h ASP 58 Ca 0.20 -0.46 -0.12 0.00 -0.39 0.00 0.00 57.03 56.26 1j8i h ASP 58 Cb 0.09 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1j8i h ASP 58 CO -0.03 0.92 -0.26 0.58 -1.61 0.00 0.00 179.24 178.85 1j8i h VAL 59 N 0.25 1.27 -0.99 2.25 2.07 -0.18 -2.67 116.25 118.25 1j8i h VAL 59 Ca 0.04 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1j8i h VAL 59 Cb 0.75 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1j8i h VAL 59 CO 0.05 0.46 0.65 0.58 0.02 0.00 0.00 177.57 179.33 1j8i h VAL 60 N 0.65 1.21 -0.70 2.57 2.07 0.92 0.46 116.25 123.43 1j8i h VAL 60 Ca 0.08 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1j8i h VAL 60 Cb 0.77 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1j8i h VAL 60 CO 0.06 0.24 0.42 -0.09 0.02 0.00 0.00 177.57 178.22 1j8i h ARG 61 N 1.30 0.78 -0.03 1.57 9.65 -0.99 -2.03 114.38 124.64 1j8i h ARG 61 Ca 0.38 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.19 1j8i h ARG 61 Cb -0.08 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.32 1j8i h ARG 61 CO -0.10 0.52 -0.09 1.03 2.80 0.00 0.00 179.97 184.13 1j8i h SER 62 N 0.81 0.12 -0.94 -3.80 0.87 -1.15 -3.22 113.55 106.23 1j8i h SER 62 Ca 0.30 -0.62 0.28 0.00 -1.23 0.00 0.00 61.79 60.51 1j8i h SER 62 Cb 0.09 -0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 61.85 1j8i h SER 62 CO -0.14 0.72 0.17 0.24 -0.53 0.00 0.00 176.83 177.30 1j8i h MET 63 N -0.47 0.08 -0.64 2.24 2.86 0.19 1.41 114.93 120.61 1j8i h MET 63 Ca -0.00 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1j8i h MET 63 Cb 0.71 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1j8i h MET 63 CO 0.02 0.05 0.38 0.22 1.06 0.00 0.00 176.91 178.64 1j8i h ASP 64 N 0.08 0.61 -0.08 1.22 1.82 -1.39 0.39 116.42 119.07 1j8i h ASP 64 Ca 0.61 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 57.10 1j8i h ASP 64 Cb 1.32 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1j8i h ASP 64 CO -0.80 0.42 -0.53 0.03 -1.61 0.00 0.00 179.24 176.75 1j8i h ARG 65 N 0.74 0.66 -0.44 0.28 2.47 0.14 1.39 114.38 119.62 1j8i h ARG 65 Ca 0.26 -0.41 -0.05 0.00 -1.26 0.00 0.00 59.98 58.53 1j8i h ARG 65 Cb 0.06 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1j8i h ARG 65 CO -0.12 1.02 0.06 -0.22 0.56 0.00 0.00 179.97 181.26 1j8i h LYS 66 N 0.51 0.69 -1.14 0.04 3.64 0.16 -3.13 116.57 117.33 1j8i h LYS 66 Ca 0.02 -0.15 -0.47 0.00 -1.27 0.00 0.00 60.65 58.77 1j8i h LYS 66 Cb 1.09 -0.10 -0.41 0.00 -0.41 0.00 0.00 32.23 32.39 1j8i h LYS 66 CO 0.11 0.67 -0.94 0.45 -2.27 0.00 0.00 179.45 177.46 1j8i n SER 67 N -4.27 3.31 0.00 4.20 2.88 0.13 -4.74 113.62 115.13 1j8i n SER 67 Ca 0.03 -3.21 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 1j8i n SER 67 Cb 0.24 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1j8i n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1j8i n ASN 68 N -0.37 0.00 0.05 -3.46 3.02 0.47 -3.87 115.26 111.10 1j8i n ASN 68 Ca 0.26 0.40 -0.08 0.00 -0.03 0.00 0.00 54.58 55.13 1j8i n ASN 68 Cb 0.77 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 39.32 1j8i n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j8i h THR 69 N 0.00 1.57 0.00 3.41 1.03 -1.82 -3.39 112.91 113.71 1j8i h THR 69 Ca 0.00 -3.28 0.00 0.00 -0.01 0.00 0.00 66.41 63.12 1j8i h THR 69 Cb 0.00 2.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.88 1j8i h THR 69 CO 0.00 0.90 0.00 0.54 -0.01 0.00 0.00 175.52 176.95 1j8i n ARG 70 N -3.33 0.00 0.00 0.00 1.74 -1.26 -4.70 116.66 109.11 1j8i n ARG 70 Ca -0.04 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1j8i n ARG 70 Cb 0.97 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 1j8i n ARG 70 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j8i n ASN 71 N -0.51 0.00 -0.09 0.55 5.15 -1.25 -1.29 115.26 117.82 1j8i n ASN 71 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1j8i n ASN 71 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 1j8i n ASN 71 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1j8i n ASN 72 N 1.25 1.89 -1.41 1.20 3.02 -1.26 -5.03 115.26 114.93 1j8i n ASN 72 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1j8i n ASN 72 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1j8i n ASN 72 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1j8i n MET 73 N -3.29 -0.12 -3.53 3.52 0.00 -0.41 -4.95 117.12 108.33 1j8i n MET 73 Ca -0.40 0.28 -0.07 0.00 0.00 0.00 0.00 57.70 57.50 1j8i n MET 73 Cb 1.02 -0.33 -0.02 0.00 0.00 0.00 0.00 33.22 33.88 1j8i n MET 73 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1j8i s ILE 74 N -0.32 0.00 -0.59 3.17 -5.25 -1.26 -5.11 121.20 111.85 1j8i s ILE 74 Ca 0.00 0.00 0.05 0.00 -0.99 0.00 0.00 60.65 59.71 1j8i s ILE 74 Cb 0.00 -1.00 0.17 0.00 2.95 0.00 0.00 42.46 44.58 1j8i s ILE 74 CO 0.00 0.00 0.43 -1.10 -1.79 0.00 0.00 174.94 172.48 1j8i s GLN 75 N -2.79 1.83 -0.59 0.37 -0.21 -1.26 -5.07 119.66 111.95 1j8i s GLN 75 Ca 0.06 -2.85 -0.28 0.00 0.02 0.00 0.00 55.36 52.31 1j8i s GLN 75 Cb -0.01 -2.61 0.02 0.00 1.00 0.00 0.00 33.01 31.41 1j8i s GLN 75 CO -0.07 -1.33 1.34 0.99 -2.12 0.00 0.00 175.29 174.10 1j8i s THR 76 N -0.85 3.84 -0.65 -0.19 2.01 -1.26 -4.93 115.64 113.61 1j8i s THR 76 Ca 0.28 0.70 0.05 0.00 0.31 0.00 0.00 61.69 63.03 1j8i s THR 76 Cb -0.01 -4.57 0.16 0.00 0.01 0.00 0.00 72.50 68.09 1j8i s THR 76 CO -0.18 -1.30 0.45 -0.75 -0.69 0.00 0.00 174.62 172.15 1j8i s LYS 77 N 5.40 2.23 0.23 4.92 2.20 -1.26 -5.09 119.74 128.36 1j8i s LYS 77 Ca 0.48 -3.11 -0.30 0.00 -0.36 0.00 0.00 55.97 52.68 1j8i s LYS 77 Cb -0.09 -3.19 -0.09 0.00 -1.51 0.00 0.00 37.83 32.95 1j8i s LYS 77 CO 0.24 -1.27 1.10 -1.25 -0.36 0.00 0.00 175.35 173.80 1j8i s PRO 78 N -1.13 4.62 0.39 4.03 0.04 -1.26 -5.05 135.00 136.64 1j8i s PRO 78 Ca 0.25 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1j8i s PRO 78 Cb -0.07 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1j8i s PRO 78 CO -0.15 0.15 0.29 0.99 0.04 0.00 0.00 177.00 178.32 1j8i s THR 79 N -0.68 2.76 -0.33 1.26 2.01 -1.26 -5.12 115.64 114.29 1j8i s THR 79 Ca 0.47 -1.47 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 1j8i s THR 79 Cb -0.31 -3.02 0.19 0.00 0.01 0.00 0.00 72.50 69.37 1j8i s THR 79 CO 0.38 -0.05 0.79 -0.83 -0.69 0.00 0.00 174.62 174.22 1j8i s GLY 80 N -4.02 -1.24 0.76 4.40 0.00 -1.26 -5.17 107.32 100.79 1j8i s GLY 80 Ca 0.44 1.14 -0.09 0.00 0.00 0.00 0.00 44.72 46.21 1j8i s GLY 80 CO 0.26 3.90 1.04 2.41 0.00 0.00 0.00 173.10 180.71 1j8i n THR 81 N 4.77 0.00 -3.84 0.90 -1.04 -1.26 -5.12 114.28 108.69 1j8i n THR 81 Ca 0.08 -1.06 -0.07 0.00 -2.04 0.00 0.00 64.05 60.96 1j8i n THR 81 Cb 0.57 -1.33 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 1j8i n THR 81 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1j8i s GLN 82 N -5.21 1.78 -0.04 -2.82 0.74 -1.26 -5.18 119.66 107.66 1j8i s GLN 82 Ca 0.62 -1.01 -0.28 0.00 0.05 0.00 0.00 55.36 54.74 1j8i s GLN 82 Cb -0.02 0.59 0.06 0.00 1.10 0.00 0.00 33.01 34.74 1j8i s GLN 82 CO 0.43 -0.82 0.62 -1.14 -0.55 0.00 0.00 175.29 173.83 1j8i s GLN 83 N -3.63 1.00 -0.47 1.67 2.00 -1.26 -5.11 119.66 113.86 1j8i s GLN 83 Ca 0.12 0.18 0.06 0.00 -2.00 0.00 0.00 55.36 53.72 1j8i s GLN 83 Cb -0.05 0.47 0.19 0.00 0.80 0.00 0.00 33.01 34.41 1j8i s GLN 83 CO 0.07 -0.31 0.56 -1.13 -0.50 0.00 0.00 175.29 173.98 1j8i n SER 84 N 0.96 -2.06 -4.71 6.67 3.41 -1.26 -5.12 113.62 111.51 1j8i n SER 84 Ca -0.19 -2.69 -0.42 0.00 -0.26 0.00 0.00 58.87 55.30 1j8i n SER 84 Cb 0.57 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 1j8i n SER 84 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j8i s THR 85 N 0.45 2.35 0.24 6.66 -4.23 -1.26 -4.99 115.64 114.86 1j8i s THR 85 Ca 0.32 0.12 0.05 0.00 -1.18 0.00 0.00 61.69 61.00 1j8i s THR 85 Cb 0.03 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1j8i s THR 85 CO -0.12 0.01 0.32 0.21 -0.54 0.00 0.00 174.62 174.49 1j8i s ASN 86 N 1.77 6.13 0.21 3.99 3.84 -1.26 -5.12 114.94 124.50 1j8i s ASN 86 Ca 0.76 -0.01 -0.12 0.00 0.21 0.00 0.00 52.86 53.70 1j8i s ASN 86 Cb -0.47 -1.75 -0.00 0.00 -0.55 0.00 0.00 41.25 38.48 1j8i s ASN 86 CO 0.33 -0.06 0.41 0.42 -2.79 0.00 0.00 177.10 175.41 1j8i s THR 87 N -2.02 0.02 -0.36 -5.21 -4.23 -1.26 -5.11 115.64 97.47 1j8i s THR 87 Ca 0.34 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1j8i s THR 87 Cb -0.09 -2.01 0.24 0.00 1.34 0.00 0.00 72.50 71.97 1j8i s THR 87 CO 0.28 -0.10 1.10 0.00 -0.54 0.00 0.00 174.62 175.36 1j8i n ALA 88 N -0.32 -3.36 -3.80 3.99 0.00 -1.26 -5.13 120.51 110.64 1j8i n ALA 88 Ca -0.04 -0.28 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1j8i n ALA 88 Cb 0.62 -2.96 -0.16 0.00 0.00 0.00 0.00 19.45 16.95 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 0.64 0.77 0.03 0.00 0.11 -1.26 -5.12 120.40 115.57 1j8i s VAL 89 Ca 0.26 -0.63 -0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1j8i s VAL 89 Cb 0.15 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1j8i s VAL 89 CO -0.10 -0.10 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.64 1j8i s THR 90 N 1.75 0.15 0.41 5.04 2.01 -1.26 -5.12 115.64 118.62 1j8i s THR 90 Ca -0.01 -1.18 -0.21 0.00 0.31 0.00 0.00 61.69 60.60 1j8i s THR 90 Cb -0.17 -0.63 -0.15 0.00 0.01 0.00 0.00 72.50 71.56 1j8i s THR 90 CO -0.07 -0.64 0.11 0.00 -0.69 0.00 0.00 174.62 173.32 1j8i n LEU 91 N 1.16 -2.68 -4.29 4.42 -0.00 -1.26 -4.95 117.00 109.40 1j8i n LEU 91 Ca -0.21 0.81 -0.31 0.00 -0.00 0.00 0.00 56.01 56.30 1j8i n LEU 91 Cb 0.57 -0.90 -0.16 0.00 -0.00 0.00 0.00 43.42 42.93 1j8i n LEU 91 CO 0.22 -4.13 -0.56 0.28 -0.00 0.00 0.00 177.39 173.20 1j8i s THR 92 N -1.68 2.08 0.00 1.47 -1.32 -1.26 -5.31 115.64 109.62 1j8i s THR 92 Ca 0.60 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1j8i s THR 92 Cb -0.63 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1j8i s THR 92 CO 0.62 0.57 0.00 0.61 -2.21 0.00 0.00 174.62 174.22