#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 -0.90 3.88 2.92 0.00 -1.26 -4.83 105.19 105.01 1j8i n GLY 2 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.37 -0.07 -4.79 1.61 7.64 -1.26 -5.04 113.62 107.35 1j8i n SER 3 Ca 0.00 -1.46 -0.38 0.00 1.01 0.00 0.00 58.87 58.05 1j8i n SER 3 Cb 0.31 -1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 1j8i n SER 3 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1j8i s GLU 4 N -5.91 4.46 0.04 1.43 2.02 -1.26 -5.07 118.70 114.41 1j8i s GLU 4 Ca 0.76 1.09 -0.15 0.00 0.02 0.00 0.00 54.97 56.69 1j8i s GLU 4 Cb -0.02 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.21 1j8i s GLU 4 CO 0.54 0.45 0.35 0.08 0.02 0.00 0.00 175.26 176.69 1j8i s VAL 5 N -1.38 0.07 0.00 2.63 1.01 -1.26 -4.80 120.40 116.66 1j8i s VAL 5 Ca 0.41 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1j8i s VAL 5 Cb -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1j8i s VAL 5 CO 0.24 -0.32 0.00 -0.24 0.00 0.00 0.00 175.10 174.77 1j8i n SER 6 N 0.57 0.00 -0.07 3.32 2.88 -1.26 -4.71 113.62 114.35 1j8i n SER 6 Ca -0.19 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.27 1j8i n SER 6 Cb 0.59 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.82 -4.32 -3.46 -0.08 -1.26 -5.01 116.55 104.23 1j8i n ASP 7 Ca 0.00 -0.02 -0.32 0.00 -1.51 0.00 0.00 54.79 52.94 1j8i n ASP 7 Cb 0.00 0.59 0.16 0.00 2.34 0.00 0.00 41.12 44.22 1j8i n ASP 7 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1j8i n LYS 8 N -2.62 -1.31 0.01 -0.67 2.85 -1.26 -4.99 118.16 110.16 1j8i n LYS 8 Ca -0.24 -0.36 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 1j8i n LYS 8 Cb 0.92 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1j8i n LYS 8 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1j8i n ARG 9 N -2.14 0.00 -0.12 -1.58 0.00 -1.26 -4.99 116.66 106.57 1j8i n ARG 9 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.63 1j8i n ARG 9 Cb 0.60 -0.02 -0.09 0.00 0.00 0.00 0.00 32.46 32.95 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 -2.58 1.30 -2.94 5.15 -1.04 -1.26 -5.08 114.28 107.83 1j8i n THR 10 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1j8i n THR 10 Cb 0.00 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 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 -3.09 0.00 0.31 -1.26 -4.76 118.33 109.53 1j8i n VAL 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j8i n VAL 12 Cb 0.00 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1j8i n VAL 12 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1j8i n SER 13 N -0.69 1.56 -4.37 4.52 2.88 -1.26 -4.93 113.62 111.33 1j8i n SER 13 Ca 0.00 -0.32 -0.44 0.00 -1.33 0.00 0.00 58.87 56.79 1j8i n SER 13 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 5.56 0.00 2.46 1.43 -1.26 -4.19 118.68 122.68 1j8i s LEU 14 Ca 0.00 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1j8i s LEU 14 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1j8i s LEU 14 CO 0.00 -0.63 0.00 0.41 0.23 0.00 0.00 176.35 176.36 1j8i n THR 15 N 5.16 0.00 -0.85 5.49 -1.04 0.11 -4.71 114.28 118.44 1j8i n THR 15 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1j8i n THR 15 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 -3.16 12.58 5.66 -1.26 -4.93 114.28 123.16 1j8i n THR 16 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1j8i n THR 16 Cb 0.00 -0.16 -0.02 0.00 -1.55 0.00 0.00 70.33 68.60 1j8i n THR 16 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1j8i s GLN 17 N -0.74 0.10 -1.24 1.09 0.74 -1.26 -5.08 119.66 113.28 1j8i s GLN 17 Ca 0.00 0.19 -0.15 0.00 0.05 0.00 0.00 55.36 55.46 1j8i s GLN 17 Cb 0.00 0.11 0.15 0.00 1.10 0.00 0.00 33.01 34.36 1j8i s GLN 17 CO 0.00 -0.10 1.54 -2.13 -0.55 0.00 0.00 175.29 174.04 1j8i n ARG 18 N 5.39 3.33 -1.92 1.67 0.63 -1.26 -5.00 116.66 119.50 1j8i n ARG 18 Ca -0.08 -3.69 -0.36 0.00 -0.92 0.00 0.00 57.85 52.81 1j8i n ARG 18 Cb 0.54 -3.15 0.04 0.00 0.45 0.00 0.00 32.46 30.34 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 2.16 3.60 0.15 6.15 2.34 -1.26 -4.96 118.68 126.86 1j8i s LEU 19 Ca 0.46 2.36 -0.30 0.00 0.06 0.00 0.00 54.13 56.70 1j8i s LEU 19 Cb -0.01 -4.59 -0.07 0.00 -0.56 0.00 0.00 46.19 40.96 1j8i s LEU 19 CO 0.02 -1.68 1.13 -2.16 -1.06 0.00 0.00 176.35 172.60 1j8i s PRO 20 N -3.46 4.54 0.40 1.48 0.04 -1.26 -4.91 135.00 131.84 1j8i s PRO 20 Ca 0.76 1.74 0.15 0.00 0.04 0.00 0.00 61.00 63.70 1j8i s PRO 20 Cb -0.29 -3.29 1.02 0.00 0.04 0.00 0.00 34.50 31.98 1j8i s PRO 20 CO 0.35 -0.02 1.86 0.28 0.04 0.00 0.00 177.00 179.51 1j8i h VAL 21 N 3.92 0.72 -0.00 -0.36 2.07 -1.92 1.05 116.25 121.72 1j8i h VAL 21 Ca -0.44 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1j8i h VAL 21 Cb 1.21 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1j8i h VAL 21 CO 0.74 0.09 0.01 0.77 0.02 0.00 0.00 177.57 179.20 1j8i h SER 22 N 0.47 0.00 0.24 0.57 4.64 -2.03 0.35 113.55 117.79 1j8i h SER 22 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1j8i h SER 22 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1j8i h SER 22 CO -0.18 0.00 -1.21 0.54 -0.87 0.00 0.00 176.83 175.11 1j8i n ARG 23 N -3.11 0.29 -2.98 4.77 3.00 0.36 -4.93 116.66 114.06 1j8i n ARG 23 Ca -0.03 -0.04 -0.31 0.00 -0.01 0.00 0.00 57.85 57.46 1j8i n ARG 23 Cb 0.08 -1.56 -0.05 0.00 0.00 0.00 0.00 32.46 30.94 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 -3.21 4.73 0.00 0.55 1.01 0.12 -2.81 121.20 121.60 1j8i s ILE 24 Ca 0.02 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1j8i s ILE 24 Cb 0.15 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1j8i s ILE 24 CO 0.84 -0.36 0.00 1.17 0.00 0.00 0.00 174.94 176.59 1j8i n LYS 25 N -0.86 0.00 -4.45 2.79 0.00 0.28 -4.57 118.16 111.35 1j8i n LYS 25 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.12 1j8i n LYS 25 Cb 0.54 -0.00 -0.10 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 -0.96 1.92 0.03 3.15 -1.32 -0.47 -4.51 115.64 113.47 1j8i s THR 26 Ca 0.00 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.29 1j8i s THR 26 Cb 0.00 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.55 1j8i s THR 26 CO 0.00 -0.33 -0.04 -0.72 -2.21 0.00 0.00 174.62 171.32 1j8i s TYR 27 N -2.84 0.37 -0.09 9.09 1.13 -1.26 0.19 117.35 123.93 1j8i s TYR 27 Ca 0.29 -0.62 -0.01 0.00 -1.41 0.00 0.00 57.07 55.33 1j8i s TYR 27 Cb 0.02 -0.25 0.03 0.00 -1.10 0.00 0.00 41.96 40.65 1j8i s TYR 27 CO 0.13 -0.20 -0.03 0.99 -2.51 0.00 0.00 175.55 173.92 1j8i s THR 28 N -1.87 0.68 -0.09 -3.49 2.01 0.28 -4.94 115.64 108.22 1j8i s THR 28 Ca -0.11 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1j8i s THR 28 Cb -0.07 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1j8i s THR 28 CO -0.02 0.31 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.52 1j8i s ILE 29 N 1.84 3.67 0.22 1.82 -1.09 -1.26 0.19 121.20 126.59 1j8i s ILE 29 Ca 0.05 -0.48 0.08 0.00 -2.23 0.00 0.00 60.65 58.07 1j8i s ILE 29 Cb -0.12 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1j8i s ILE 29 CO -0.07 0.58 0.05 0.42 -1.23 0.00 0.00 174.94 174.69 1j8i s THR 30 N -0.53 3.82 -0.02 2.92 -4.23 -0.82 -4.98 115.64 111.80 1j8i s THR 30 Ca 0.08 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1j8i s THR 30 Cb -0.12 -3.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.64 1j8i s THR 30 CO 0.02 -0.26 0.10 -0.62 -0.54 0.00 0.00 174.62 173.32 1j8i n GLU 31 N -0.64 0.94 -3.76 3.99 4.71 -1.26 -3.71 120.64 120.91 1j8i n GLU 31 Ca -0.08 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.16 56.90 1j8i n GLU 31 Cb 0.57 -1.14 -0.10 0.00 -1.01 0.00 0.00 31.44 29.76 1j8i n GLU 31 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1j8i s GLY 32 N -2.95 -0.20 0.00 0.62 0.00 -1.26 -4.56 107.32 98.96 1j8i s GLY 32 Ca -0.02 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1j8i s GLY 32 CO 0.25 0.47 0.00 -1.26 0.00 0.00 0.00 173.10 172.55 1j8i n SER 33 N 2.10 0.00 -0.00 1.64 2.88 -1.26 -4.25 113.62 114.72 1j8i n SER 33 Ca -0.17 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.36 1j8i n SER 33 Cb 0.57 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1j8i n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1j8i n LEU 34 N 0.00 0.45 -2.62 2.46 4.77 -1.26 -4.99 117.00 115.81 1j8i n LEU 34 Ca 0.00 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1j8i n LEU 34 Cb 0.00 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1j8i n LEU 34 CO 0.00 0.08 -0.07 0.54 -1.33 0.00 0.00 177.39 176.62 1j8i n ARG 35 N -2.97 -2.65 -4.27 3.23 1.74 -1.24 -4.89 116.66 105.60 1j8i n ARG 35 Ca -0.02 0.27 -0.17 0.00 -0.77 0.00 0.00 57.85 57.17 1j8i n ARG 35 Cb 0.51 -4.83 -0.10 0.00 -1.02 0.00 0.00 32.46 27.02 1j8i n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j8i s ALA 36 N -2.35 1.62 -0.12 7.54 0.00 -1.25 -4.72 121.76 122.48 1j8i s ALA 36 Ca 0.06 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 1j8i s ALA 36 Cb -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1j8i s ALA 36 CO 0.08 0.02 0.34 0.14 0.00 0.00 0.00 175.76 176.33 1j8i s VAL 37 N -2.83 5.25 -0.30 0.00 -7.23 -0.33 -1.94 120.40 113.02 1j8i s VAL 37 Ca 0.16 0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 1j8i s VAL 37 Cb -0.01 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.30 1j8i s VAL 37 CO 0.03 0.42 0.03 -0.63 -0.31 0.00 0.00 175.10 174.65 1j8i s ILE 38 N 0.14 3.33 -0.27 -0.62 -1.09 0.51 0.30 121.20 123.50 1j8i s ILE 38 Ca 0.19 -1.15 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1j8i s ILE 38 Cb -0.14 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1j8i s ILE 38 CO 0.07 -0.05 0.53 -0.36 -1.23 0.00 0.00 174.94 173.90 1j8i s PHE 39 N 1.34 3.25 -0.13 3.97 0.08 -0.55 0.10 117.98 126.05 1j8i s PHE 39 Ca -0.02 0.59 -0.05 0.00 0.12 0.00 0.00 56.93 57.57 1j8i s PHE 39 Cb -0.19 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 1j8i s PHE 39 CO -0.00 -0.33 0.03 0.42 -0.10 0.00 0.00 175.22 175.24 1j8i s ILE 40 N 2.35 4.55 0.36 0.64 1.01 0.50 -1.36 121.20 129.25 1j8i s ILE 40 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1j8i s ILE 40 Cb -0.16 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1j8i s ILE 40 CO 0.10 0.54 0.51 0.42 0.00 0.00 0.00 174.94 176.51 1j8i s THR 41 N -0.29 4.05 0.13 2.92 -4.23 -0.89 1.00 115.64 118.31 1j8i s THR 41 Ca 0.07 -0.90 0.33 0.00 -1.18 0.00 0.00 61.69 60.01 1j8i s THR 41 Cb -0.12 -3.42 0.35 0.00 1.34 0.00 0.00 72.50 70.65 1j8i s THR 41 CO 0.02 -0.19 2.00 0.07 -0.54 0.00 0.00 174.62 175.98 1j8i h LYS 42 N 0.79 0.00 0.00 3.99 2.10 -1.77 0.44 116.57 122.13 1j8i h LYS 42 Ca -0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1j8i h LYS 42 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1j8i h LYS 42 CO 0.54 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 177.97 1j8i h ARG 43 N 0.00 0.00 0.00 0.07 -0.00 -1.94 -3.47 114.38 109.05 1j8i h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1j8i h ARG 43 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.17 1j8i h ARG 43 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.97 180.40 1j8i n GLY 44 N 0.77 0.92 3.61 0.04 0.00 0.15 -5.05 105.19 105.63 1j8i n GLY 44 Ca 0.03 0.00 -0.42 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 4.02 -0.05 0.99 1.43 -1.26 -4.85 118.68 118.97 1j8i s LEU 45 Ca 0.00 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.66 1j8i s LEU 45 Cb 0.00 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 1j8i s LEU 45 CO 0.00 -0.77 0.42 -0.54 0.23 0.00 0.00 176.35 175.70 1j8i s LYS 46 N 3.31 4.10 0.25 1.70 1.02 -1.26 -2.10 119.74 126.76 1j8i s LYS 46 Ca 0.37 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1j8i s LYS 46 Cb -0.13 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1j8i s LYS 46 CO 0.15 0.47 0.08 0.54 -0.92 0.00 0.00 175.35 175.67 1j8i s VAL 47 N -0.36 0.65 0.11 3.17 0.11 -0.46 -4.49 120.40 119.13 1j8i s VAL 47 Ca 0.24 -2.00 0.09 0.00 -2.93 0.00 0.00 61.98 57.38 1j8i s VAL 47 Cb -0.16 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 1j8i s VAL 47 CO 0.12 -0.07 -0.23 0.00 -3.33 0.00 0.00 175.10 171.59 1j8i s ALA 49 N -1.13 -1.02 -0.00 0.00 0.00 0.15 0.05 121.76 119.81 1j8i s ALA 49 Ca 0.09 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 1j8i s ALA 49 Cb -0.10 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1j8i s ALA 49 CO 0.05 -0.49 0.79 -0.51 0.00 0.00 0.00 175.76 175.59 1j8i s ASP 50 N -2.14 7.17 0.00 0.00 1.11 -1.26 -1.18 116.67 120.36 1j8i s ASP 50 Ca -0.04 1.40 0.19 0.00 0.18 0.00 0.00 52.55 54.29 1j8i s ASP 50 Cb -0.00 -2.47 1.16 0.00 1.07 0.00 0.00 42.92 42.67 1j8i s ASP 50 CO -0.04 -0.09 1.60 -0.81 1.18 0.00 0.00 175.17 177.01 1j8i n PRO 51 N 3.39 0.75 0.11 8.23 -0.04 -1.26 -2.49 135.00 143.69 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 0.51 -1.40 0.33 0.00 -0.04 0.00 0.00 33.50 32.90 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 -6.53 0.54 5.75 -1.96 -3.44 115.11 109.46 1j8i h GLN 52 Ca 0.00 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.98 1j8i h GLN 52 Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1j8i h GLN 52 CO 0.00 0.00 0.39 0.00 -2.65 0.00 0.00 178.83 176.57 1j8i s ALA 53 N -3.13 3.25 0.15 3.38 0.00 -1.04 -4.95 121.76 119.42 1j8i s ALA 53 Ca 0.09 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1j8i s ALA 53 Cb 0.12 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1j8i s ALA 53 CO 0.63 -0.12 1.46 1.15 0.00 0.00 0.00 175.76 178.89 1j8i h THR 54 N 4.21 1.28 -0.80 0.00 2.02 -1.91 -1.85 112.91 115.87 1j8i h THR 54 Ca -0.42 -1.63 0.01 0.00 0.77 0.00 0.00 66.41 65.14 1j8i h THR 54 Cb 1.21 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 1j8i h THR 54 CO 0.73 0.54 0.53 4.11 0.37 0.00 0.00 175.52 181.79 1j8i h TRP 55 N 0.70 0.99 -0.11 3.16 5.08 -1.97 0.67 115.95 124.48 1j8i h TRP 55 Ca 0.04 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.02 1j8i h TRP 55 Cb 1.04 -0.34 -0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1j8i h TRP 55 CO 0.06 0.62 0.01 0.28 -1.28 0.00 0.00 178.44 178.13 1j8i h VAL 56 N 1.06 1.23 -0.44 0.12 2.07 -1.83 0.35 116.25 118.82 1j8i h VAL 56 Ca 0.30 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1j8i h VAL 56 Cb -0.10 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1j8i h VAL 56 CO -0.07 0.21 0.08 0.03 0.02 0.00 0.00 177.57 177.84 1j8i h ARG 57 N -0.06 0.66 -0.23 1.57 3.08 -0.52 0.16 114.38 119.05 1j8i h ARG 57 Ca 0.03 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1j8i h ARG 57 Cb 0.32 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1j8i h ARG 57 CO 0.00 0.63 -0.24 0.22 -1.07 0.00 0.00 179.97 179.51 1j8i h ASP 58 N 0.64 0.61 -0.51 7.04 1.82 0.58 -2.41 116.42 124.19 1j8i h ASP 58 Ca 0.14 -0.48 -0.05 0.00 -0.39 0.00 0.00 57.03 56.25 1j8i h ASP 58 Cb 0.28 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 1j8i h ASP 58 CO 0.00 0.97 0.16 0.58 -1.61 0.00 0.00 179.24 179.33 1j8i h VAL 59 N 0.26 1.23 -0.96 2.25 2.07 0.11 -1.93 116.25 119.29 1j8i h VAL 59 Ca 0.03 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1j8i h VAL 59 Cb 0.80 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1j8i h VAL 59 CO 0.06 0.30 0.63 0.58 0.02 0.00 0.00 177.57 179.16 1j8i h VAL 60 N 0.83 1.23 -0.36 2.57 2.07 -0.54 1.49 116.25 123.54 1j8i h VAL 60 Ca 0.19 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1j8i h VAL 60 Cb 0.27 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1j8i h VAL 60 CO -0.01 0.23 0.22 -0.09 0.02 0.00 0.00 177.57 177.95 1j8i h ARG 61 N 1.28 0.48 -0.13 1.57 1.12 -0.85 -2.88 114.38 114.96 1j8i h ARG 61 Ca 0.36 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 59.02 1j8i h ARG 61 Cb -0.12 -0.10 0.01 0.00 -0.01 0.00 0.00 29.97 29.75 1j8i h ARG 61 CO -0.09 0.35 -0.57 1.03 -3.11 0.00 0.00 179.97 177.58 1j8i h SER 62 N 0.47 0.74 -1.76 -3.80 0.87 -0.94 -3.11 113.55 106.01 1j8i h SER 62 Ca 0.13 -0.63 0.51 0.00 -1.23 0.00 0.00 61.79 60.57 1j8i h SER 62 Cb -0.01 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 61.66 1j8i h SER 62 CO -0.03 1.24 1.30 0.24 -0.53 0.00 0.00 176.83 179.05 1j8i h MET 63 N 0.28 0.00 -0.24 2.24 2.86 0.23 1.60 114.93 121.90 1j8i h MET 63 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1j8i h MET 63 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1j8i h MET 63 CO 0.12 0.00 0.07 0.22 1.06 0.00 0.00 176.91 178.38 1j8i h ASP 64 N 0.00 0.36 0.58 1.22 1.82 -1.45 0.28 116.42 119.23 1j8i h ASP 64 Ca 0.84 -0.22 -0.11 0.00 -0.39 0.00 0.00 57.03 57.15 1j8i h ASP 64 Cb 3.42 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 43.32 1j8i h ASP 64 CO -0.01 0.48 -0.54 0.08 -1.61 0.00 0.00 179.24 177.65 1j8i h ARG 65 N 0.21 0.00 -0.17 0.28 0.11 0.21 1.38 114.38 116.41 1j8i h ARG 65 Ca 0.08 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.99 1j8i h ARG 65 Cb 0.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1j8i h ARG 65 CO -0.00 0.54 -0.58 -0.22 0.10 0.00 0.00 179.97 179.80 1j8i h LYS 66 N 0.00 0.54 -1.02 0.08 1.63 -0.66 -3.28 116.57 113.85 1j8i h LYS 66 Ca -0.01 -0.36 -0.47 0.00 -0.85 0.00 0.00 60.65 58.97 1j8i h LYS 66 Cb 0.97 0.05 -0.41 0.00 -0.60 0.00 0.00 32.23 32.23 1j8i h LYS 66 CO 0.07 0.97 -0.92 0.45 -3.45 0.00 0.00 179.45 176.56 1j8i n SER 67 N -3.94 3.50 0.23 4.20 2.88 0.96 -4.86 113.62 116.59 1j8i n SER 67 Ca -0.03 -3.21 -0.09 0.00 -1.33 0.00 0.00 58.87 54.20 1j8i n SER 67 Cb 0.62 -0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 63.59 1j8i n SER 67 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1j8i h ASN 68 N 2.58 -0.52 -0.68 -3.46 -0.73 0.18 -3.43 115.58 109.52 1j8i h ASN 68 Ca 0.15 0.02 -0.33 0.00 1.87 0.00 0.00 56.30 58.01 1j8i h ASN 68 Cb 1.20 0.13 -0.23 0.00 0.27 0.00 0.00 38.32 39.69 1j8i h ASN 68 CO 0.64 -0.22 -0.70 0.41 -0.37 0.00 0.00 177.43 177.18 1j8i n THR 69 N -4.45 -0.20 -0.11 -3.57 -1.04 -1.26 -5.02 114.28 98.63 1j8i n THR 69 Ca -0.08 -2.40 -0.09 0.00 -2.04 0.00 0.00 64.05 59.45 1j8i n THR 69 Cb 0.24 0.46 -0.06 0.00 -1.82 0.00 0.00 70.33 69.14 1j8i n THR 69 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1j8i h ARG 70 N 3.77 -0.21 -6.28 -2.82 2.43 -1.89 -3.23 114.38 106.14 1j8i h ARG 70 Ca -0.06 0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.48 1j8i h ARG 70 Cb 1.00 0.05 0.10 0.00 -0.42 0.00 0.00 29.97 30.70 1j8i h ARG 70 CO 0.35 -0.14 -0.08 0.09 -1.51 0.00 0.00 179.97 178.67 1j8i n ASN 71 N -4.39 0.39 0.00 -3.80 4.13 -1.26 -0.85 115.26 109.47 1j8i n ASN 71 Ca -0.02 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.40 1j8i n ASN 71 Cb 0.21 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.30 1j8i n ASN 71 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1j8i n ASN 72 N 1.60 0.00 0.00 6.41 4.13 -1.26 -4.82 115.26 121.31 1j8i n ASN 72 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1j8i n ASN 72 Cb 0.28 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1j8i n ASN 72 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1j8i n MET 73 N 0.00 0.00 -4.16 3.52 0.00 -0.03 -4.54 117.12 111.91 1j8i n MET 73 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 57.53 1j8i n MET 73 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 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 0.00 1.02 -0.71 1.12 -5.25 -1.26 -5.03 121.20 111.09 1j8i s ILE 74 Ca 0.00 -1.39 0.05 0.00 -0.99 0.00 0.00 60.65 58.32 1j8i s ILE 74 Cb 0.00 -1.11 0.17 0.00 2.95 0.00 0.00 42.46 44.47 1j8i s ILE 74 CO 0.00 -0.34 0.51 0.00 -1.79 0.00 0.00 174.94 173.32 1j8i n GLN 75 N 1.08 1.87 -3.40 0.37 6.02 -1.26 -4.92 117.38 117.14 1j8i n GLN 75 Ca -0.20 -4.50 -0.36 0.00 -0.01 0.00 0.00 57.00 51.93 1j8i n GLN 75 Cb 0.55 -2.29 0.03 0.00 1.02 0.00 0.00 30.24 29.56 1j8i n GLN 75 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1j8i n THR 76 N 1.90 -3.52 -1.01 5.09 5.66 -1.26 -4.78 114.28 116.36 1j8i n THR 76 Ca 0.20 0.06 -0.36 0.00 -3.05 0.00 0.00 64.05 60.90 1j8i n THR 76 Cb 0.35 -3.21 0.05 0.00 -1.55 0.00 0.00 70.33 65.98 1j8i n THR 76 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1j8i n LYS 77 N -0.41 -0.03 -2.50 1.09 2.85 -1.26 -4.86 118.16 113.03 1j8i n LYS 77 Ca -0.11 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.75 1j8i n LYS 77 Cb 0.65 -1.21 -0.04 0.00 -0.65 0.00 0.00 35.03 33.77 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 -2.24 4.64 1.38 -1.58 0.04 -1.26 -5.03 135.00 130.96 1j8i s PRO 78 Ca 0.47 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 1j8i s PRO 78 Cb -0.23 -3.22 0.36 0.00 0.04 0.00 0.00 34.50 31.45 1j8i s PRO 78 CO 0.77 0.20 0.93 0.99 0.04 0.00 0.00 177.00 179.93 1j8i s THR 79 N -0.91 1.38 -0.31 1.26 2.01 -1.26 -5.05 115.64 112.76 1j8i s THR 79 Ca 0.46 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 1j8i s THR 79 Cb -0.31 -2.01 0.19 0.00 0.01 0.00 0.00 72.50 70.37 1j8i s THR 79 CO 0.39 0.00 1.10 -0.83 -0.69 0.00 0.00 174.62 174.58 1j8i s GLY 80 N -2.87 -1.46 0.56 4.40 0.00 -1.26 -5.17 107.32 101.53 1j8i s GLY 80 Ca 0.68 1.54 -0.03 0.00 0.00 0.00 0.00 44.72 46.92 1j8i s GLY 80 CO 0.60 4.34 0.83 -1.59 0.00 0.00 0.00 173.10 177.28 1j8i s THR 81 N 2.15 3.29 0.14 0.90 2.01 -1.26 -5.11 115.64 117.76 1j8i s THR 81 Ca 0.17 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1j8i s THR 81 Cb 0.03 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1j8i s THR 81 CO -0.17 -0.25 0.00 1.67 -0.69 0.00 0.00 174.62 175.18 1j8i n GLN 82 N -2.45 1.66 -4.04 4.92 -0.06 -1.26 -5.15 117.38 111.00 1j8i n GLN 82 Ca 0.05 -1.03 -0.32 0.00 -2.00 0.00 0.00 57.00 53.70 1j8i n GLN 82 Cb 0.59 0.27 -0.06 0.00 -4.06 0.00 0.00 30.24 26.98 1j8i n GLN 82 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1j8i s GLN 83 N -2.51 3.09 0.48 3.69 -2.07 -1.26 -5.12 119.66 115.95 1j8i s GLN 83 Ca 0.00 -0.53 0.07 0.00 -1.82 0.00 0.00 55.36 53.08 1j8i s GLN 83 Cb -0.00 -2.86 0.01 0.00 -1.09 0.00 0.00 33.01 29.07 1j8i s GLN 83 CO 0.00 0.62 0.41 -1.12 -1.32 0.00 0.00 175.29 173.88 1j8i s SER 84 N -2.08 4.85 0.33 12.60 0.01 -1.26 -5.14 113.70 123.01 1j8i s SER 84 Ca 0.27 -0.96 0.09 0.00 1.31 0.00 0.00 55.95 56.66 1j8i s SER 84 Cb -0.12 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1j8i s SER 84 CO 0.19 -0.87 0.03 -0.89 0.41 0.00 0.00 173.24 172.11 1j8i s THR 85 N -2.61 2.81 0.33 1.44 2.01 -1.26 -5.15 115.64 113.21 1j8i s THR 85 Ca 0.44 -1.92 0.10 0.00 0.31 0.00 0.00 61.69 60.61 1j8i s THR 85 Cb -0.02 -2.82 -0.06 0.00 0.01 0.00 0.00 72.50 69.60 1j8i s THR 85 CO 0.26 -0.23 -0.09 0.20 -0.69 0.00 0.00 174.62 174.07 1j8i s ASN 86 N -3.73 3.82 0.53 3.53 -0.87 -1.26 -5.16 114.94 111.80 1j8i s ASN 86 Ca 0.35 -1.10 0.05 0.00 -1.57 0.00 0.00 52.86 50.59 1j8i s ASN 86 Cb -0.02 -0.39 0.03 0.00 -0.02 0.00 0.00 41.25 40.85 1j8i s ASN 86 CO 0.20 -0.15 0.37 0.42 -2.57 0.00 0.00 177.10 175.37 1j8i s THR 87 N -2.56 1.71 -0.31 1.60 -4.23 -1.26 -5.12 115.64 105.47 1j8i s THR 87 Ca 0.32 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 1j8i s THR 87 Cb 0.00 -2.23 0.19 0.00 1.34 0.00 0.00 72.50 71.80 1j8i s THR 87 CO 0.17 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.37 1j8i s ALA 88 N -2.75 -4.77 -0.06 3.99 0.00 -1.26 -5.15 121.76 111.75 1j8i s ALA 88 Ca 0.34 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1j8i s ALA 88 Cb -0.02 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1j8i s ALA 88 CO 0.21 -2.51 -0.04 0.54 0.00 0.00 0.00 175.76 173.96 1j8i s VAL 89 N 2.08 0.61 1.06 0.00 0.11 -1.26 -5.14 120.40 117.86 1j8i s VAL 89 Ca 0.16 -0.11 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 1j8i s VAL 89 Cb 0.04 -0.66 0.22 0.00 -1.53 0.00 0.00 36.38 34.46 1j8i s VAL 89 CO -0.17 0.26 1.07 0.28 -3.33 0.00 0.00 175.10 173.22 1j8i s THR 90 N 1.26 2.01 -0.26 5.04 -1.32 -1.26 -5.02 115.64 116.09 1j8i s THR 90 Ca -0.05 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1j8i s THR 90 Cb -0.14 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1j8i s THR 90 CO -0.02 -0.00 0.03 -0.22 -2.21 0.00 0.00 174.62 172.19 1j8i s LEU 91 N -6.69 3.46 0.00 9.08 2.96 -1.26 -5.04 118.68 121.19 1j8i s LEU 91 Ca 0.66 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1j8i s LEU 91 Cb -0.20 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1j8i s LEU 91 CO 0.60 -0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.86 1j8i n THR 92 N 4.83 0.00 0.74 3.68 -2.24 -1.26 -5.37 114.28 114.65 1j8i n THR 92 Ca -0.16 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1j8i n THR 92 Cb 0.49 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.79 1j8i n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11