#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 -2.35 3.85 7.55 0.00 -1.26 -4.90 105.19 108.07 1j8i n GLY 2 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 -2.82 -4.70 1.61 2.88 -1.26 -4.56 113.62 104.77 1j8i n SER 3 Ca 0.00 0.30 -0.39 0.00 -1.33 0.00 0.00 58.87 57.45 1j8i n SER 3 Cb 0.00 -0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 62.42 1j8i n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1j8i s GLU 4 N -0.72 4.32 -0.08 -1.46 1.03 -1.26 -5.05 118.70 115.47 1j8i s GLU 4 Ca 0.00 0.57 -0.14 0.00 0.03 0.00 0.00 54.97 55.43 1j8i s GLU 4 Cb 0.00 -3.48 0.03 0.00 -0.80 0.00 0.00 34.13 29.88 1j8i s GLU 4 CO 0.00 0.02 0.34 0.54 -1.33 0.00 0.00 175.26 174.84 1j8i s VAL 5 N 1.03 0.02 0.00 1.83 0.11 -1.26 -4.90 120.40 117.23 1j8i s VAL 5 Ca 0.29 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1j8i s VAL 5 Cb -0.16 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1j8i s VAL 5 CO 0.12 -0.11 0.00 -1.20 -3.33 0.00 0.00 175.10 170.58 1j8i n SER 6 N 2.16 0.00 0.00 3.54 7.64 -1.26 -4.94 113.62 120.76 1j8i n SER 6 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1j8i n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.00 4.96 -4.11 6.43 9.92 -1.26 -5.06 116.55 127.43 1j8i n ASP 7 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 1j8i n ASP 7 Cb 0.00 0.50 0.08 0.00 -0.64 0.00 0.00 41.12 41.06 1j8i n ASP 7 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1j8i n LYS 8 N -1.98 -0.42 0.01 -1.24 4.01 -1.26 -4.98 118.16 112.30 1j8i n LYS 8 Ca 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 1j8i n LYS 8 Cb 0.49 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 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 0.96 0.00 -0.09 1.97 0.00 -1.26 -5.01 116.66 113.24 1j8i n ARG 9 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.67 1j8i n ARG 9 Cb 0.66 -0.04 -0.06 0.00 0.00 0.00 0.00 32.46 33.02 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 -2.65 1.35 -2.38 5.15 -1.04 -1.26 -5.09 114.28 108.37 1j8i n THR 10 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1j8i n THR 10 Cb 0.00 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 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 -3.21 0.00 0.31 -1.26 -4.80 118.33 109.37 1j8i n VAL 12 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1j8i n VAL 12 Cb 0.00 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 -1.68 1.80 -4.30 4.52 7.64 -1.26 -4.99 113.62 115.34 1j8i n SER 13 Ca 0.00 -0.31 -0.41 0.00 1.01 0.00 0.00 58.87 59.16 1j8i n SER 13 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 5.27 0.00 -3.43 1.43 -1.26 -4.16 118.68 116.53 1j8i s LEU 14 Ca 0.00 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1j8i s LEU 14 Cb 0.00 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1j8i s LEU 14 CO 0.00 -0.56 0.00 0.41 0.23 0.00 0.00 176.35 176.43 1j8i n THR 15 N 5.00 0.00 -0.81 5.49 -1.04 0.31 -4.73 114.28 118.49 1j8i n THR 15 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 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 -2.84 12.58 5.66 -1.26 -4.83 114.28 123.59 1j8i n THR 16 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1j8i n THR 16 Cb 0.00 -0.03 0.03 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.80 -1.55 1.09 10.64 -1.26 -5.09 117.38 120.01 1j8i n GLN 17 Ca 0.00 -2.06 -0.31 0.00 -1.83 0.00 0.00 57.00 52.80 1j8i n GLN 17 Cb 0.00 -1.38 -0.05 0.00 -0.86 0.00 0.00 30.24 27.95 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 1.43 0.86 -3.32 2.61 0.63 -1.26 -4.92 116.66 112.69 1j8i n ARG 18 Ca 0.11 -0.20 -0.29 0.00 -0.92 0.00 0.00 57.85 56.56 1j8i n ARG 18 Cb 0.62 -3.37 -0.03 0.00 0.45 0.00 0.00 32.46 30.13 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 12.50 4.05 0.31 6.15 2.34 -1.26 -5.06 118.68 137.71 1j8i s LEU 19 Ca 0.99 0.73 -0.28 0.00 0.06 0.00 0.00 54.13 55.64 1j8i s LEU 19 Cb -0.23 -3.55 -0.09 0.00 -0.56 0.00 0.00 46.19 41.76 1j8i s LEU 19 CO 0.24 -0.20 1.07 -2.16 -1.06 0.00 0.00 176.35 174.24 1j8i s PRO 20 N -3.54 4.54 0.44 1.48 0.04 -1.26 -4.91 135.00 131.78 1j8i s PRO 20 Ca 0.44 1.70 0.20 0.00 0.04 0.00 0.00 61.00 63.38 1j8i s PRO 20 Cb -0.11 -3.04 1.15 0.00 0.04 0.00 0.00 34.50 32.55 1j8i s PRO 20 CO 0.30 0.15 1.87 -0.24 0.04 0.00 0.00 177.00 179.12 1j8i h VAL 21 N 2.88 0.67 0.00 -0.36 3.04 -1.93 1.43 116.25 121.97 1j8i h VAL 21 Ca -0.47 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1j8i h VAL 21 Cb 1.21 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1j8i h VAL 21 CO 0.66 0.06 0.00 -1.28 -1.01 0.00 0.00 177.57 176.00 1j8i h SER 22 N 0.34 0.00 -0.70 3.17 0.87 -1.99 0.80 113.55 116.04 1j8i h SER 22 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1j8i h SER 22 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1j8i h SER 22 CO -0.15 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.69 1j8i n ARG 23 N -3.05 2.64 -4.38 2.24 3.00 0.49 -4.91 116.66 112.68 1j8i n ARG 23 Ca -0.01 -2.53 -0.28 0.00 -0.01 0.00 0.00 57.85 55.02 1j8i n ARG 23 Cb 0.18 -1.55 -0.12 0.00 0.00 0.00 0.00 32.46 30.97 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 -1.07 2.52 0.00 0.55 1.01 0.27 -4.47 121.20 120.01 1j8i s ILE 24 Ca 0.47 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1j8i s ILE 24 Cb 0.24 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1j8i s ILE 24 CO 0.32 -0.04 0.00 1.17 0.00 0.00 0.00 174.94 176.39 1j8i n LYS 25 N 0.46 0.00 -4.45 2.79 0.00 0.23 -4.72 118.16 112.47 1j8i n LYS 25 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 57.95 1j8i n LYS 25 Cb 0.55 -0.18 -0.10 0.00 0.00 0.00 0.00 35.03 35.30 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 -0.50 1.71 0.06 3.15 -1.32 -0.71 -3.96 115.64 114.08 1j8i s THR 26 Ca 0.00 -2.12 0.01 0.00 -1.21 0.00 0.00 61.69 58.37 1j8i s THR 26 Cb 0.00 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1j8i s THR 26 CO 0.00 -0.25 -0.06 -0.72 -2.21 0.00 0.00 174.62 171.38 1j8i s TYR 27 N -2.96 0.67 -0.04 9.09 1.13 -1.26 0.11 117.35 124.09 1j8i s TYR 27 Ca 0.31 -0.75 -0.02 0.00 -1.41 0.00 0.00 57.07 55.20 1j8i s TYR 27 Cb 0.04 -0.41 0.03 0.00 -1.10 0.00 0.00 41.96 40.52 1j8i s TYR 27 CO 0.13 -0.17 0.06 0.99 -2.51 0.00 0.00 175.55 174.05 1j8i s THR 28 N -2.61 -0.09 -0.13 -3.49 2.01 0.31 -4.95 115.64 106.69 1j8i s THR 28 Ca -0.00 0.41 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 1j8i s THR 28 Cb -0.02 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 1j8i s THR 28 CO -0.03 0.18 0.10 -0.63 -0.69 0.00 0.00 174.62 173.54 1j8i s ILE 29 N 2.16 5.14 0.26 1.82 -1.09 -1.26 0.20 121.20 128.42 1j8i s ILE 29 Ca 0.05 0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.62 1j8i s ILE 29 Cb -0.12 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1j8i s ILE 29 CO -0.03 0.57 0.14 0.42 -1.23 0.00 0.00 174.94 174.81 1j8i s THR 30 N -0.59 4.19 -0.00 2.92 -4.23 -0.46 -4.98 115.64 112.49 1j8i s THR 30 Ca 0.12 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1j8i s THR 30 Cb -0.12 -3.26 -0.01 0.00 1.34 0.00 0.00 72.50 70.45 1j8i s THR 30 CO 0.02 -0.36 0.02 -0.62 -0.54 0.00 0.00 174.62 173.15 1j8i n GLU 31 N -1.11 0.17 -0.09 3.99 4.71 -1.26 -3.75 120.64 123.30 1j8i n GLU 31 Ca -0.07 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.16 57.04 1j8i n GLU 31 Cb 0.58 -1.01 0.03 0.00 -1.01 0.00 0.00 31.44 30.03 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 2.42 -2.74 0.53 0.62 0.00 -1.26 -4.42 105.19 100.34 1j8i n GLY 32 Ca -0.00 -1.41 0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.39 0.00 0.34 1.61 0.02 -2.04 0.73 113.55 112.82 1j8i h SER 33 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1j8i h SER 33 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1j8i h SER 33 CO 0.03 0.00 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.48 1j8i h LEU 34 N 0.00 -0.39 -2.84 5.07 3.38 -1.93 -3.46 115.31 115.14 1j8i h LEU 34 Ca 0.52 -0.14 -0.52 0.00 0.09 0.00 0.00 57.88 57.83 1j8i h LEU 34 Cb 2.60 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 43.34 1j8i h LEU 34 CO -0.01 -0.05 -0.84 -1.14 0.09 0.00 0.00 178.44 176.49 1j8i n ARG 35 N -5.17 -0.68 -4.12 1.13 0.63 0.26 -4.91 116.66 103.79 1j8i n ARG 35 Ca -0.10 0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.76 1j8i n ARG 35 Cb 0.27 -2.57 -0.10 0.00 0.45 0.00 0.00 32.46 30.50 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 -4.00 0.74 -0.22 5.13 0.00 -1.25 -4.73 121.76 117.44 1j8i s ALA 36 Ca 0.18 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 1j8i s ALA 36 Cb -0.10 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1j8i s ALA 36 CO 0.84 -0.21 0.34 0.14 0.00 0.00 0.00 175.76 176.88 1j8i s VAL 37 N -3.07 5.23 -0.37 0.00 -7.23 -0.36 -1.36 120.40 113.24 1j8i s VAL 37 Ca 0.04 0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 60.65 1j8i s VAL 37 Cb 0.02 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.28 1j8i s VAL 37 CO -0.04 0.25 0.26 -0.63 -0.31 0.00 0.00 175.10 174.63 1j8i s ILE 38 N 1.42 5.24 -0.27 -0.62 -1.09 0.53 -0.32 121.20 126.09 1j8i s ILE 38 Ca 0.16 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 58.04 1j8i s ILE 38 Cb -0.15 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1j8i s ILE 38 CO 0.08 -0.13 0.28 -0.36 -1.23 0.00 0.00 174.94 173.58 1j8i s PHE 39 N 1.70 3.24 -0.09 3.97 0.08 0.11 0.11 117.98 127.09 1j8i s PHE 39 Ca 0.06 0.28 -0.02 0.00 0.12 0.00 0.00 56.93 57.36 1j8i s PHE 39 Cb -0.18 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 1j8i s PHE 39 CO 0.10 -0.18 0.00 0.42 -0.10 0.00 0.00 175.22 175.46 1j8i s ILE 40 N 1.87 4.33 0.42 0.64 1.01 0.31 0.26 121.20 130.04 1j8i s ILE 40 Ca 0.11 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1j8i s ILE 40 Cb -0.16 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1j8i s ILE 40 CO 0.10 0.60 0.58 0.42 0.00 0.00 0.00 174.94 176.64 1j8i s THR 41 N -0.79 3.21 -0.26 2.92 -4.23 0.09 0.75 115.64 117.33 1j8i s THR 41 Ca 0.12 -0.94 0.28 0.00 -1.18 0.00 0.00 61.69 59.97 1j8i s THR 41 Cb -0.11 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.93 1j8i s THR 41 CO 0.02 -0.04 1.82 0.07 -0.54 0.00 0.00 174.62 175.95 1j8i h LYS 42 N 0.61 0.00 0.00 3.99 2.10 -1.84 -1.65 116.57 119.77 1j8i h LYS 42 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1j8i h LYS 42 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1j8i h LYS 42 CO 0.48 0.00 -0.12 -0.09 -2.00 0.00 0.00 179.45 177.72 1j8i h ARG 43 N 0.00 0.00 0.00 0.07 2.43 -1.93 -3.47 114.38 111.48 1j8i h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j8i h ARG 43 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1j8i h ARG 43 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1j8i n GLY 44 N 1.20 0.58 3.64 2.80 0.00 -0.62 -5.06 105.19 107.73 1j8i n GLY 44 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 3.94 -0.11 0.99 1.02 -1.26 -4.78 118.68 118.49 1j8i s LEU 45 Ca 0.00 1.03 -0.04 0.00 0.02 0.00 0.00 54.13 55.14 1j8i s LEU 45 Cb 0.00 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.66 1j8i s LEU 45 CO 0.00 -0.87 0.03 -1.59 0.02 0.00 0.00 176.35 173.95 1j8i s LYS 46 N 3.61 3.29 0.29 1.70 -2.85 -1.26 -0.73 119.74 123.79 1j8i s LYS 46 Ca 0.45 -0.35 0.02 0.00 -1.00 0.00 0.00 55.97 55.09 1j8i s LYS 46 Cb -0.12 -2.95 -0.05 0.00 -2.06 0.00 0.00 37.83 32.65 1j8i s LYS 46 CO 0.15 0.61 0.09 0.54 0.10 0.00 0.00 175.35 176.84 1j8i s VAL 47 N -0.61 0.73 0.18 1.79 0.11 0.14 -4.57 120.40 118.17 1j8i s VAL 47 Ca 0.11 -2.00 0.10 0.00 -2.93 0.00 0.00 61.98 57.25 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 0.02 0.00 -0.15 0.00 -3.33 0.00 0.00 175.10 171.64 1j8i s ALA 49 N -1.64 -1.01 -0.07 0.00 0.00 0.56 -0.53 121.76 119.08 1j8i s ALA 49 Ca 0.23 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 1j8i s ALA 49 Cb -0.09 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1j8i s ALA 49 CO 0.13 -0.46 0.75 -0.51 0.00 0.00 0.00 175.76 175.67 1j8i s ASP 50 N -2.03 7.03 0.00 0.00 1.01 -1.26 -1.22 116.67 120.20 1j8i s ASP 50 Ca -0.05 1.24 0.15 0.00 0.71 0.00 0.00 52.55 54.61 1j8i s ASP 50 Cb -0.01 -2.44 0.91 0.00 1.01 0.00 0.00 42.92 42.40 1j8i s ASP 50 CO -0.03 -0.17 1.42 -0.81 0.21 0.00 0.00 175.17 175.79 1j8i n PRO 51 N 3.97 0.75 0.11 8.23 -0.04 -1.26 -2.56 135.00 144.19 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 -1.32 0.35 0.00 -0.04 0.00 0.00 33.50 33.00 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 -6.41 0.54 5.75 -1.96 -3.45 115.11 109.58 1j8i h GLN 52 Ca 0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1j8i h GLN 52 Cb 0.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1j8i h GLN 52 CO 0.00 0.00 0.22 0.00 -2.65 0.00 0.00 178.83 176.40 1j8i s ALA 53 N -3.12 3.35 0.12 3.38 0.00 -1.06 -4.96 121.76 119.48 1j8i s ALA 53 Ca 0.10 0.37 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 1j8i s ALA 53 Cb 0.12 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1j8i s ALA 53 CO 0.62 0.09 1.45 1.15 0.00 0.00 0.00 175.76 179.06 1j8i h THR 54 N 3.93 1.28 -0.77 0.00 2.02 -1.91 -2.10 112.91 115.37 1j8i h THR 54 Ca -0.44 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.21 1j8i h THR 54 Cb 1.21 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 1j8i h THR 54 CO 0.70 0.50 0.48 4.11 0.37 0.00 0.00 175.52 181.68 1j8i h TRP 55 N 0.62 1.01 -0.20 3.16 5.08 -1.97 0.81 115.95 124.46 1j8i h TRP 55 Ca 0.05 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.05 1j8i h TRP 55 Cb 0.94 -0.33 -0.02 0.00 -3.00 0.00 0.00 29.16 26.75 1j8i h TRP 55 CO 0.07 0.67 0.06 0.28 -1.28 0.00 0.00 178.44 178.24 1j8i h VAL 56 N 1.05 0.94 -0.16 0.12 2.07 -1.84 0.37 116.25 118.81 1j8i h VAL 56 Ca 0.28 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.65 1j8i h VAL 56 Cb -0.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1j8i h VAL 56 CO -0.05 0.03 -0.32 0.03 0.02 0.00 0.00 177.57 177.27 1j8i h ARG 57 N 0.15 0.32 -0.26 1.57 3.08 -0.73 0.15 114.38 118.67 1j8i h ARG 57 Ca 0.09 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1j8i h ARG 57 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1j8i h ARG 57 CO -0.09 0.61 0.05 0.22 -1.07 0.00 0.00 179.97 179.69 1j8i h ASP 58 N 0.28 0.40 -0.08 7.04 1.82 0.15 -1.41 116.42 124.62 1j8i h ASP 58 Ca 0.04 -0.25 -0.13 0.00 -0.39 0.00 0.00 57.03 56.30 1j8i h ASP 58 Cb 0.71 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1j8i h ASP 58 CO 0.05 0.54 -0.38 -0.37 -1.61 0.00 0.00 179.24 177.47 1j8i h VAL 59 N 0.24 1.29 -0.89 2.25 -1.51 -0.09 -2.79 116.25 114.75 1j8i h VAL 59 Ca 0.08 -1.54 0.06 0.00 -1.23 0.00 0.00 66.70 64.07 1j8i h VAL 59 Cb 0.31 1.51 -0.06 0.00 -2.13 0.00 0.00 31.29 30.92 1j8i h VAL 59 CO 0.00 0.49 0.56 0.58 -1.23 0.00 0.00 177.57 177.97 1j8i h VAL 60 N 0.49 1.05 -0.49 7.19 2.07 -0.42 1.48 116.25 127.62 1j8i h VAL 60 Ca 0.05 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1j8i h VAL 60 Cb 0.89 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1j8i h VAL 60 CO 0.08 0.19 0.32 -0.09 0.02 0.00 0.00 177.57 178.08 1j8i h ARG 61 N 1.02 0.63 -0.11 1.57 1.12 -0.99 -2.60 114.38 115.01 1j8i h ARG 61 Ca 0.39 -0.04 -0.22 0.00 -1.11 0.00 0.00 59.98 59.00 1j8i h ARG 61 Cb 0.18 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.01 1j8i h ARG 61 CO -0.18 0.42 -0.81 1.03 -3.11 0.00 0.00 179.97 177.32 1j8i h SER 62 N 0.65 0.82 -1.15 -3.80 0.87 -1.12 -3.17 113.55 106.64 1j8i h SER 62 Ca 0.18 -0.56 0.38 0.00 -1.23 0.00 0.00 61.79 60.56 1j8i h SER 62 Cb -0.07 -0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 61.52 1j8i h SER 62 CO -0.04 1.34 0.70 0.24 -0.53 0.00 0.00 176.83 178.54 1j8i h MET 63 N 0.45 0.18 -0.96 2.24 2.86 0.24 1.57 114.93 121.52 1j8i h MET 63 Ca -0.06 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1j8i h MET 63 Cb 1.43 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.98 1j8i h MET 63 CO 0.16 0.12 0.62 0.22 1.06 0.00 0.00 176.91 179.09 1j8i h ASP 64 N 0.19 1.00 -0.32 1.22 1.82 -1.49 0.56 116.42 119.39 1j8i h ASP 64 Ca 0.77 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 57.25 1j8i h ASP 64 Cb 2.12 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.91 1j8i h ASP 64 CO -0.50 0.66 -0.43 -0.09 -1.61 0.00 0.00 179.24 177.26 1j8i h ARG 65 N 1.15 0.89 -0.59 0.28 2.43 0.21 1.42 114.38 120.17 1j8i h ARG 65 Ca 0.40 -0.50 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1j8i h ARG 65 Cb 0.10 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1j8i h ARG 65 CO -0.15 1.14 0.36 0.87 -1.51 0.00 0.00 179.97 180.68 1j8i h LYS 66 N 0.72 0.78 -1.23 0.20 6.56 -0.15 -3.05 116.57 120.39 1j8i h LYS 66 Ca 0.05 -0.06 -0.46 0.00 -1.06 0.00 0.00 60.65 59.11 1j8i h LYS 66 Cb 1.03 -0.17 -0.41 0.00 -0.57 0.00 0.00 32.23 32.11 1j8i h LYS 66 CO 0.10 0.54 -0.99 0.45 -2.06 0.00 0.00 179.45 177.50 1j8i n SER 67 N -4.42 2.91 -0.07 0.86 2.88 0.08 -4.76 113.62 111.11 1j8i n SER 67 Ca 0.06 -3.16 -0.07 0.00 -1.33 0.00 0.00 58.87 54.36 1j8i n SER 67 Cb 0.07 -0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.98 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 2.81 0.00 0.08 -3.46 4.21 0.21 -3.36 115.58 116.06 1j8i h ASN 68 Ca 0.08 -0.26 -0.34 0.00 1.21 0.00 0.00 56.30 56.99 1j8i h ASN 68 Cb 1.06 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.24 1j8i h ASN 68 CO 0.66 0.83 -1.87 0.41 -1.29 0.00 0.00 177.43 176.16 1j8i n THR 69 N -4.64 1.69 -0.51 2.81 -1.04 -1.26 -4.06 114.28 107.27 1j8i n THR 69 Ca -0.09 -0.48 0.44 0.00 -2.04 0.00 0.00 64.05 61.88 1j8i n THR 69 Cb 0.28 -1.79 0.77 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.24 0.00 0.51 -2.82 1.12 -1.86 0.45 114.38 111.54 1j8i h ARG 70 Ca -0.43 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.42 1j8i h ARG 70 Cb 1.83 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.79 1j8i h ARG 70 CO -0.02 0.00 -0.25 -0.97 -3.11 0.00 0.00 179.97 175.63 1j8i h ASN 71 N 0.00 -0.58 -1.05 -3.80 -1.24 -1.72 -3.22 115.58 103.98 1j8i h ASN 71 Ca 0.75 -0.02 -0.50 0.00 0.71 0.00 0.00 56.30 57.25 1j8i h ASN 71 Cb 3.12 0.15 -0.18 0.00 0.73 0.00 0.00 38.32 42.14 1j8i h ASN 71 CO -0.01 -0.17 0.43 0.59 -1.29 0.00 0.00 177.43 176.98 1j8i n ASN 72 N -5.24 6.53 -4.54 1.15 4.13 0.15 -4.90 115.26 112.53 1j8i n ASN 72 Ca -0.09 -3.23 -0.43 0.00 1.68 0.00 0.00 54.58 52.52 1j8i n ASN 72 Cb 0.29 -1.21 -0.06 0.00 -1.54 0.00 0.00 39.78 37.26 1j8i n ASN 72 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1j8i s MET 73 N -1.84 3.45 0.36 3.52 1.75 -0.47 -4.97 119.30 121.10 1j8i s MET 73 Ca 0.56 -0.15 0.04 0.00 -1.25 0.00 0.00 55.69 54.89 1j8i s MET 73 Cb 0.38 -3.90 -0.05 0.00 2.84 0.00 0.00 34.83 34.10 1j8i s MET 73 CO -0.21 -0.94 0.08 0.96 -0.65 0.00 0.00 175.02 174.26 1j8i s ILE 74 N 2.90 0.96 -0.83 10.11 -0.00 -1.26 -5.07 121.20 128.02 1j8i s ILE 74 Ca 0.25 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.92 1j8i s ILE 74 Cb -0.14 -2.60 0.32 0.00 -0.00 0.00 0.00 42.46 40.04 1j8i s ILE 74 CO 0.18 0.00 1.36 0.00 -0.00 0.00 0.00 174.94 176.48 1j8i n GLN 75 N -0.79 4.25 -3.42 0.37 10.64 -1.26 -4.87 117.38 122.30 1j8i n GLN 75 Ca -0.04 -4.73 -0.26 0.00 -1.83 0.00 0.00 57.00 50.13 1j8i n GLN 75 Cb 0.66 -2.37 -0.11 0.00 -0.86 0.00 0.00 30.24 27.57 1j8i n GLN 75 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1j8i s THR 76 N -4.04 0.07 -0.49 -0.39 2.01 -1.26 -5.02 115.64 106.52 1j8i s THR 76 Ca 0.42 -1.76 0.06 0.00 0.31 0.00 0.00 61.69 60.72 1j8i s THR 76 Cb 0.20 -1.04 0.19 0.00 0.01 0.00 0.00 72.50 71.86 1j8i s THR 76 CO -0.10 -0.95 0.64 1.17 -0.69 0.00 0.00 174.62 174.69 1j8i n LYS 77 N 3.82 0.46 -2.50 4.92 4.81 -1.26 -5.14 118.16 123.27 1j8i n LYS 77 Ca 0.16 -2.32 -0.41 0.00 -0.87 0.00 0.00 58.31 54.87 1j8i n LYS 77 Cb 0.41 -1.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.90 1j8i n LYS 77 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1j8i s PRO 78 N 0.64 4.62 0.00 1.64 0.04 -1.26 -5.01 135.00 135.68 1j8i s PRO 78 Ca 0.31 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1j8i s PRO 78 Cb 0.02 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1j8i s PRO 78 CO -0.09 0.16 0.00 -2.37 0.04 0.00 0.00 177.00 174.73 1j8i n THR 79 N 1.76 0.00 -0.49 1.26 5.66 -1.26 -5.14 114.28 116.07 1j8i n THR 79 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1j8i n THR 79 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1j8i n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j8i n GLY 80 N 0.00 -1.33 3.33 1.09 0.00 -1.26 -5.14 105.19 101.88 1j8i n GLY 80 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 1j8i n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j8i s THR 81 N 0.00 0.23 -0.24 2.61 -1.32 -1.26 -5.17 115.64 110.48 1j8i s THR 81 Ca 0.00 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.21 1j8i s THR 81 Cb 0.00 -2.48 0.13 0.00 -1.51 0.00 0.00 72.50 68.64 1j8i s THR 81 CO 0.00 0.00 1.08 -1.58 -2.21 0.00 0.00 174.62 171.91 1j8i s GLN 82 N -3.72 0.47 0.01 7.08 2.00 -1.26 -5.17 119.66 119.07 1j8i s GLN 82 Ca 0.36 0.37 0.01 0.00 -2.00 0.00 0.00 55.36 54.10 1j8i s GLN 82 Cb 0.04 0.23 -0.01 0.00 0.80 0.00 0.00 33.01 34.07 1j8i s GLN 82 CO 0.20 -0.10 -0.05 -1.14 -0.50 0.00 0.00 175.29 173.70 1j8i s GLN 83 N -0.30 0.36 0.00 1.67 2.00 -1.26 -5.15 119.66 116.99 1j8i s GLN 83 Ca 0.02 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.00 1j8i s GLN 83 Cb -0.03 -0.23 0.00 0.00 0.80 0.00 0.00 33.01 33.55 1j8i s GLN 83 CO -0.05 0.05 0.00 0.45 -0.50 0.00 0.00 175.29 175.25 1j8i n SER 84 N 2.35 0.00 -0.42 6.67 2.88 -1.26 -5.19 113.62 118.65 1j8i n SER 84 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1j8i n SER 84 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1j8i n SER 84 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1j8i n THR 85 N -0.26 0.00 -3.37 2.46 5.66 -1.26 -5.17 114.28 112.34 1j8i n THR 85 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1j8i n THR 85 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1j8i n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1j8i s ASN 86 N 0.37 6.35 0.25 1.09 4.22 -1.26 -5.11 114.94 120.84 1j8i s ASN 86 Ca 0.00 0.54 0.06 0.00 -2.14 0.00 0.00 52.86 51.32 1j8i s ASN 86 Cb 0.00 -2.07 -0.05 0.00 1.28 0.00 0.00 41.25 40.41 1j8i s ASN 86 CO 0.00 -0.25 -0.06 0.42 -2.04 0.00 0.00 177.10 175.17 1j8i s THR 87 N -2.22 1.48 -0.30 0.54 -4.23 -1.26 -5.12 115.64 104.53 1j8i s THR 87 Ca 0.41 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1j8i s THR 87 Cb -0.10 -2.35 0.18 0.00 1.34 0.00 0.00 72.50 71.57 1j8i s THR 87 CO 0.34 -0.36 1.18 0.00 -0.54 0.00 0.00 174.62 175.24 1j8i s ALA 88 N -3.12 -4.58 -0.22 3.99 0.00 -1.26 -5.14 121.76 111.43 1j8i s ALA 88 Ca 0.28 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.66 1j8i s ALA 88 Cb 0.04 -2.94 0.11 0.00 0.00 0.00 0.00 23.12 20.32 1j8i s ALA 88 CO 0.10 -2.21 0.27 0.54 0.00 0.00 0.00 175.76 174.46 1j8i s VAL 89 N 2.92 -0.41 0.05 0.00 0.11 -1.26 -5.15 120.40 116.66 1j8i s VAL 89 Ca 0.32 -0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.21 1j8i s VAL 89 Cb 0.01 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1j8i s VAL 89 CO -0.22 -0.19 0.06 -0.89 -3.33 0.00 0.00 175.10 170.53 1j8i s THR 90 N 2.39 0.17 -0.15 5.04 2.01 -1.26 -5.15 115.64 118.69 1j8i s THR 90 Ca 0.09 -1.39 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 1j8i s THR 90 Cb -0.16 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1j8i s THR 90 CO -0.14 -0.77 -0.07 -0.22 -0.69 0.00 0.00 174.62 172.73 1j8i s LEU 91 N -2.58 3.01 1.34 4.42 2.96 -1.26 -5.11 118.68 121.47 1j8i s LEU 91 Ca 0.02 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.51 1j8i s LEU 91 Cb 0.03 -1.71 0.34 0.00 0.50 0.00 0.00 46.19 45.35 1j8i s LEU 91 CO -0.08 0.15 0.92 0.35 -1.32 0.00 0.00 176.35 176.37 1j8i n THR 92 N 3.62 0.00 -0.83 3.68 -2.24 -1.26 -5.37 114.28 111.88 1j8i n THR 92 Ca -0.18 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1j8i n THR 92 Cb 0.52 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1j8i n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11