#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjh s MET 4 N 0.00 0.50 -1.25 5.55 -1.94 -1.26 -5.08 119.30 115.82 1mjh s MET 4 Ca 0.00 0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 53.92 1mjh s MET 4 Cb 0.00 -0.72 0.17 0.00 2.01 0.00 0.00 34.83 36.29 1mjh s MET 4 CO 0.00 -0.18 1.67 0.66 -0.01 0.00 0.00 175.02 177.15 1mjh n TYR 5 N 4.49 3.96 0.01 -0.03 4.01 -1.26 -4.68 117.16 123.65 1mjh n TYR 5 Ca -0.19 -3.07 -0.10 0.00 -0.16 0.00 0.00 57.90 54.39 1mjh n TYR 5 Cb 0.50 -2.08 -0.14 0.00 -0.31 0.00 0.00 39.34 37.31 1mjh n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1mjh h LYS 6 N 6.45 0.04 -4.18 -0.72 1.57 -1.93 -3.46 116.57 114.34 1mjh h LYS 6 Ca 0.36 -0.07 -0.51 0.00 -1.87 0.00 0.00 60.65 58.57 1mjh h LYS 6 Cb 0.75 0.02 -0.37 0.00 0.08 0.00 0.00 32.23 32.72 1mjh h LYS 6 CO 1.44 0.71 -0.80 0.21 -0.57 0.00 0.00 179.45 180.44 1mjh s LYS 7 N -2.62 1.38 -0.08 3.15 2.20 -1.26 -1.03 119.74 121.48 1mjh s LYS 7 Ca -0.05 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1mjh s LYS 7 Cb 0.08 -1.44 -0.03 0.00 -1.51 0.00 0.00 37.83 34.93 1mjh s LYS 7 CO 0.82 -0.23 -0.08 0.42 -0.36 0.00 0.00 175.35 175.92 1mjh s ILE 8 N 1.59 3.59 -0.27 5.43 1.01 -0.19 -0.33 121.20 132.04 1mjh s ILE 8 Ca 0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1mjh s ILE 8 Cb -0.13 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1mjh s ILE 8 CO -0.06 0.58 0.16 -0.22 0.00 0.00 0.00 174.94 175.41 1mjh s LEU 9 N -0.60 3.92 -0.49 2.97 2.96 0.13 0.01 118.68 127.58 1mjh s LEU 9 Ca 0.09 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1mjh s LEU 9 Cb -0.12 -2.08 0.13 0.00 0.50 0.00 0.00 46.19 44.62 1mjh s LEU 9 CO 0.02 -0.03 0.27 -0.47 -1.32 0.00 0.00 176.35 174.81 1mjh s TYR 10 N 1.65 3.48 -0.19 5.38 5.04 0.38 -1.12 117.35 131.96 1mjh s TYR 10 Ca 0.07 -2.77 -0.24 0.00 -2.44 0.00 0.00 57.07 51.69 1mjh s TYR 10 Cb -0.16 -3.09 -0.01 0.00 0.35 0.00 0.00 41.96 39.05 1mjh s TYR 10 CO 0.09 -0.88 0.79 -1.25 -1.34 0.00 0.00 175.55 172.96 1mjh s PRO 11 N 0.40 4.26 0.01 4.97 0.04 -1.26 -1.66 135.00 141.76 1mjh s PRO 11 Ca 0.13 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.18 1mjh s PRO 11 Cb -0.22 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 1mjh s PRO 11 CO -0.04 -0.34 -0.25 -0.08 0.04 0.00 0.00 177.00 176.33 1mjh s THR 12 N 2.22 1.96 -1.08 1.26 -1.32 0.24 -4.75 115.64 114.17 1mjh s THR 12 Ca 0.36 -1.16 0.14 0.00 -1.21 0.00 0.00 61.69 59.81 1mjh s THR 12 Cb -0.16 -1.65 0.42 0.00 -1.51 0.00 0.00 72.50 69.59 1mjh s THR 12 CO 0.11 0.46 1.35 -0.90 -2.21 0.00 0.00 174.62 173.42 1mjh n ASP 13 N 2.20 3.32 -1.57 8.08 5.68 -1.26 -4.37 116.55 128.63 1mjh n ASP 13 Ca -0.16 -2.11 -0.17 0.00 -0.50 0.00 0.00 54.79 51.85 1mjh n ASP 13 Cb 0.52 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 40.12 1mjh n ASP 13 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1mjh n PHE 14 N 0.69 -0.32 -2.18 2.11 3.72 -1.26 -4.85 117.46 115.37 1mjh n PHE 14 Ca 0.16 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.30 1mjh n PHE 14 Cb 0.53 -3.14 0.08 0.00 -0.94 0.00 0.00 39.48 36.00 1mjh n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1mjh s SER 15 N -2.59 4.69 0.29 4.37 1.04 -1.26 -4.93 113.70 115.32 1mjh s SER 15 Ca 0.00 0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.92 1mjh s SER 15 Cb 0.00 -1.03 0.45 0.00 0.10 0.00 0.00 66.02 65.54 1mjh s SER 15 CO 0.00 -1.69 1.71 -0.33 0.98 0.00 0.00 173.24 173.92 1mjh h GLU 16 N -0.68 0.32 -0.03 4.02 4.39 -1.93 -1.36 114.58 119.31 1mjh h GLU 16 Ca -0.44 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 58.93 1mjh h GLU 16 Cb 1.31 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1mjh h GLU 16 CO 0.59 0.64 -0.81 1.15 -1.16 0.00 0.00 179.01 179.42 1mjh h THR 17 N 0.28 1.43 -0.20 1.13 2.02 -1.85 -2.24 112.91 113.47 1mjh h THR 17 Ca 0.03 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 64.85 1mjh h THR 17 Cb 0.76 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 1mjh h THR 17 CO 0.06 0.70 0.09 0.00 0.37 0.00 0.00 175.52 176.74 1mjh h ALA 18 N 0.95 1.80 -0.12 6.16 0.00 -1.68 -0.92 119.26 125.45 1mjh h ALA 18 Ca -0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1mjh h ALA 18 Cb 1.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1mjh h ALA 18 CO 0.13 0.17 -0.39 1.49 0.00 0.00 0.00 179.25 180.65 1mjh h GLU 19 N 0.27 0.26 -0.43 0.00 4.81 -0.66 -1.22 114.58 117.61 1mjh h GLU 19 Ca 0.07 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1mjh h GLU 19 Cb 0.03 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1mjh h GLU 19 CO -0.01 0.62 0.09 0.82 -0.73 0.00 0.00 179.01 179.80 1mjh h ILE 20 N 0.22 1.24 -0.03 2.32 2.04 -0.97 -2.62 117.51 119.71 1mjh h ILE 20 Ca 0.02 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1mjh h ILE 20 Cb 0.80 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1mjh h ILE 20 CO 0.06 0.29 -0.10 0.00 0.00 0.00 0.00 178.15 178.41 1mjh h ALA 21 N 0.95 1.78 -0.14 1.87 0.00 -0.45 -1.45 119.26 121.82 1mjh h ALA 21 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1mjh h ALA 21 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1mjh h ALA 21 CO 0.00 0.17 0.06 1.25 0.00 0.00 0.00 179.25 180.73 1mjh h LEU 22 N 0.05 0.17 -1.03 0.00 5.85 -0.86 -0.93 115.31 118.56 1mjh h LEU 22 Ca 0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1mjh h LEU 22 Cb 0.21 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1mjh h LEU 22 CO 0.01 0.16 0.03 0.11 -0.34 0.00 0.00 178.44 178.41 1mjh h LYS 23 N 0.20 0.72 -0.27 1.25 1.57 -1.25 -1.75 116.57 117.04 1mjh h LYS 23 Ca 0.05 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 1mjh h LYS 23 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1mjh h LYS 23 CO -0.01 0.71 -0.47 0.45 -0.57 0.00 0.00 179.45 179.57 1mjh h HIS 24 N 0.68 0.86 -0.57 -1.35 3.86 -1.21 -1.69 115.15 115.75 1mjh h HIS 24 Ca 0.14 -0.28 0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1mjh h HIS 24 Cb 0.38 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 1mjh h HIS 24 CO 0.02 1.04 0.25 0.28 0.86 0.00 0.00 177.93 180.38 1mjh h VAL 25 N 0.56 0.88 -0.13 2.45 2.07 -0.97 -1.68 116.25 119.43 1mjh h VAL 25 Ca 0.03 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1mjh h VAL 25 Cb 1.02 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1mjh h VAL 25 CO 0.10 0.09 -0.24 0.11 0.02 0.00 0.00 177.57 177.64 1mjh h LYS 26 N 0.48 0.22 0.00 1.57 1.57 -1.22 -1.48 116.57 117.71 1mjh h LYS 26 Ca 0.27 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1mjh h LYS 26 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1mjh h LYS 26 CO -0.22 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 1mjh h ALA 27 N 1.55 1.00 0.00 3.86 0.00 -0.39 -1.53 119.26 123.75 1mjh h ALA 27 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mjh h ALA 27 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1mjh h ALA 27 CO 0.04 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.48 1mjh n PHE 28 N -2.88 0.00 -2.42 0.00 3.01 -0.56 -4.80 117.46 109.82 1mjh n PHE 28 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1mjh n PHE 28 Cb 0.25 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.42 1mjh n PHE 28 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1mjh s LYS 29 N -2.54 4.59 0.00 -1.08 2.47 -0.58 -5.00 119.74 117.60 1mjh s LYS 29 Ca 0.24 1.86 0.00 0.00 -1.56 0.00 0.00 55.97 56.52 1mjh s LYS 29 Cb 0.17 -3.18 0.00 0.00 -1.46 0.00 0.00 37.83 33.36 1mjh s LYS 29 CO 0.37 0.13 0.00 0.25 0.16 0.00 0.00 175.35 176.26 1mjh n THR 30 N 1.28 0.00 0.58 3.43 -2.24 -1.26 -5.05 114.28 111.02 1mjh n THR 30 Ca -0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1mjh n THR 30 Cb 0.44 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.88 1mjh n THR 30 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mjh n LEU 31 N 0.00 0.73 -4.92 3.22 7.99 -1.26 -4.90 117.00 117.86 1mjh n LEU 31 Ca 0.00 0.29 -0.27 0.00 -0.01 0.00 0.00 56.01 56.03 1mjh n LEU 31 Cb 0.00 -0.20 0.03 0.00 -0.11 0.00 0.00 43.42 43.14 1mjh n LEU 31 CO 0.00 -0.08 0.53 -0.54 -1.51 0.00 0.00 177.39 175.79 1mjh s LYS 32 N -3.16 2.91 0.01 3.23 -0.14 -1.26 -5.01 119.74 116.33 1mjh s LYS 32 Ca 0.07 -0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.36 1mjh s LYS 32 Cb 0.13 -2.28 -0.06 0.00 -1.68 0.00 0.00 37.83 33.95 1mjh s LYS 32 CO 0.70 -0.70 1.42 0.00 -0.76 0.00 0.00 175.35 176.01 1mjh s ALA 33 N -2.98 3.59 0.14 5.17 0.00 -1.26 -5.01 121.76 121.40 1mjh s ALA 33 Ca 0.54 0.92 0.07 0.00 0.00 0.00 0.00 51.96 53.48 1mjh s ALA 33 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1mjh s ALA 33 CO 0.45 -0.91 -0.15 -1.21 0.00 0.00 0.00 175.76 173.95 1mjh s GLU 34 N 2.33 1.11 -0.01 0.00 0.41 -1.26 -4.90 118.70 116.38 1mjh s GLU 34 Ca 0.65 -1.32 0.02 0.00 -0.41 0.00 0.00 54.97 53.91 1mjh s GLU 34 Cb -0.32 -1.00 -0.00 0.00 -1.78 0.00 0.00 34.13 31.02 1mjh s GLU 34 CO 0.27 0.19 -0.08 -2.00 -0.49 0.00 0.00 175.26 173.15 1mjh s GLU 35 N -2.85 0.69 -0.13 1.61 2.12 -0.19 -1.55 118.70 118.40 1mjh s GLU 35 Ca 0.12 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.18 1mjh s GLU 35 Cb -0.04 -0.67 -0.00 0.00 0.26 0.00 0.00 34.13 33.67 1mjh s GLU 35 CO 0.04 0.16 -0.18 0.08 -0.54 0.00 0.00 175.26 174.82 1mjh s VAL 36 N -0.11 2.51 -0.40 3.70 1.01 -0.16 -1.02 120.40 125.91 1mjh s VAL 36 Ca 0.02 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 1mjh s VAL 36 Cb -0.04 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1mjh s VAL 36 CO -0.00 0.53 0.70 -0.63 0.00 0.00 0.00 175.10 175.70 1mjh s ILE 37 N 0.61 4.78 -0.35 2.22 -1.09 0.10 -0.53 121.20 126.94 1mjh s ILE 37 Ca -0.10 0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 1mjh s ILE 37 Cb -0.16 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 1mjh s ILE 37 CO 0.03 -0.52 0.25 -0.22 -1.23 0.00 0.00 174.94 173.25 1mjh s LEU 38 N 2.96 4.61 -0.04 2.97 2.96 -0.06 -0.47 118.68 131.61 1mjh s LEU 38 Ca 0.27 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1mjh s LEU 38 Cb -0.13 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.42 1mjh s LEU 38 CO 0.18 -0.27 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.55 1mjh s LEU 39 N 1.71 1.92 -0.13 -0.68 2.96 -0.66 -0.66 118.68 123.14 1mjh s LEU 39 Ca 0.06 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1mjh s LEU 39 Cb -0.18 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1mjh s LEU 39 CO 0.10 0.15 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.86 1mjh s HIS 40 N 0.04 2.02 -0.21 5.38 5.65 -0.53 -0.59 115.29 127.05 1mjh s HIS 40 Ca -0.04 -1.04 -0.09 0.00 0.25 0.00 0.00 55.06 54.14 1mjh s HIS 40 Cb -0.11 -1.49 -0.04 0.00 -1.18 0.00 0.00 32.58 29.76 1mjh s HIS 40 CO 0.02 -0.56 0.10 0.08 -0.65 0.00 0.00 174.74 173.73 1mjh s VAL 41 N 1.25 4.95 -0.32 0.89 1.01 -1.26 -2.43 120.40 124.50 1mjh s VAL 41 Ca -0.01 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1mjh s VAL 41 Cb -0.14 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1mjh s VAL 41 CO -0.06 0.40 0.85 -0.63 0.00 0.00 0.00 175.10 175.66 1mjh s ILE 42 N 0.82 4.72 -0.24 2.22 1.01 0.14 -4.88 121.20 124.98 1mjh s ILE 42 Ca 0.05 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 1mjh s ILE 42 Cb -0.13 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1mjh s ILE 42 CO 0.02 -0.33 1.39 -0.62 0.00 0.00 0.00 174.94 175.40 1mjh s ASP 43 N 1.67 6.65 0.52 3.58 -1.08 -1.26 -1.30 116.67 125.44 1mjh s ASP 43 Ca 0.35 1.46 0.28 0.00 -0.52 0.00 0.00 52.55 54.11 1mjh s ASP 43 Cb -0.13 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.19 1mjh s ASP 43 CO 0.14 -1.06 2.04 1.05 0.52 0.00 0.00 175.17 177.86 1mjh h GLU 44 N 9.47 0.00 0.00 4.34 4.11 -1.27 -2.11 114.58 129.11 1mjh h GLU 44 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1mjh h GLU 44 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1mjh h GLU 44 CO 1.01 0.13 0.00 0.00 0.07 0.00 0.00 179.01 180.22 1mjh h ARG 45 N 0.00 0.00 -0.02 1.06 3.08 -1.89 -2.63 114.38 113.98 1mjh h ARG 45 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mjh h ARG 45 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1mjh h ARG 45 CO 0.02 0.00 -0.15 0.39 -1.07 0.00 0.00 179.97 179.15 1mjh n GLU 46 N -2.78 1.80 -0.10 0.04 -0.58 -0.79 -4.18 120.64 114.04 1mjh n GLU 46 Ca 0.01 -1.41 -0.23 0.00 -0.42 0.00 0.00 57.16 55.11 1mjh n GLU 46 Cb 0.30 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.58 1mjh n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1mjh n ILE 47 N 0.63 1.57 -1.52 -3.67 2.08 -1.02 -5.10 119.36 112.32 1mjh n ILE 47 Ca 0.13 -0.43 -0.36 0.00 0.56 0.00 0.00 62.75 62.65 1mjh n ILE 47 Cb 0.51 -1.74 -0.10 0.00 -0.75 0.00 0.00 39.64 37.56 1mjh n ILE 47 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1mjh n LYS 48 N -3.83 0.47 -0.27 0.38 5.02 -1.04 -4.88 118.16 114.02 1mjh n LYS 48 Ca -0.44 -0.06 0.07 0.00 -2.02 0.00 0.00 58.31 55.86 1mjh n LYS 48 Cb 0.91 -2.43 0.19 0.00 -0.02 0.00 0.00 35.03 33.68 1mjh n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mjh h VAL 66 N 7.79 0.35 0.00 -0.18 2.07 -2.05 -3.50 116.25 120.74 1mjh h VAL 66 Ca -0.12 -0.05 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 1mjh h VAL 66 Cb 1.26 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1mjh h VAL 66 CO 1.28 0.03 -0.91 -0.08 0.02 0.00 0.00 177.57 177.91 1mjh h GLU 67 N 0.14 0.00 0.00 1.57 4.81 -2.02 -2.17 114.58 116.92 1mjh h GLU 67 Ca 0.45 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1mjh h GLU 67 Cb 0.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1mjh h GLU 67 CO -0.65 0.75 -0.24 0.93 -0.73 0.00 0.00 179.01 179.07 1mjh h GLU 68 N 0.00 0.00 -0.28 1.92 5.08 -2.05 -2.70 114.58 116.55 1mjh h GLU 68 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1mjh h GLU 68 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1mjh h GLU 68 CO 0.10 0.24 -0.53 0.35 -1.00 0.00 0.00 179.01 178.17 1mjh h PHE 69 N 0.00 1.08 0.02 4.33 3.57 -1.94 -2.22 116.94 121.79 1mjh h PHE 69 Ca -0.00 -0.39 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1mjh h PHE 69 Cb 1.11 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1mjh h PHE 69 CO 0.00 1.21 -0.01 0.93 -2.23 0.00 0.00 178.31 178.21 1mjh h GLU 70 N 0.64 -0.03 -0.75 1.11 5.08 -1.28 -1.04 114.58 118.31 1mjh h GLU 70 Ca 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1mjh h GLU 70 Cb 1.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1mjh h GLU 70 CO 0.12 0.15 0.50 -0.91 -1.00 0.00 0.00 179.01 177.87 1mjh h ASN 71 N -0.21 0.86 -0.40 1.42 2.35 -1.54 0.46 115.58 118.52 1mjh h ASN 71 Ca -0.00 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1mjh h ASN 71 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1mjh h ASN 71 CO 0.01 0.62 0.25 -0.08 -1.65 0.00 0.00 177.43 176.58 1mjh h GLU 72 N 1.02 0.50 -0.25 0.81 4.81 -1.31 0.11 114.58 120.26 1mjh h GLU 72 Ca 0.28 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1mjh h GLU 72 Cb -0.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1mjh h GLU 72 CO -0.06 0.33 0.05 1.25 -0.73 0.00 0.00 179.01 179.85 1mjh h LEU 73 N 0.51 0.39 -0.49 1.64 5.85 -0.42 -2.22 115.31 120.57 1mjh h LEU 73 Ca 0.16 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1mjh h LEU 73 Cb -0.02 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1mjh h LEU 73 CO -0.06 0.53 0.06 0.11 -0.34 0.00 0.00 178.44 178.74 1mjh h LYS 74 N 0.23 0.18 -0.50 1.25 1.79 0.18 0.22 116.57 119.91 1mjh h LYS 74 Ca 0.08 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1mjh h LYS 74 Cb 0.30 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1mjh h LYS 74 CO 0.00 0.12 0.23 -0.91 -1.08 0.00 0.00 179.45 177.81 1mjh h ASN 75 N 0.18 0.67 -0.54 0.86 2.35 -0.71 0.06 115.58 118.44 1mjh h ASN 75 Ca 0.25 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1mjh h ASN 75 Cb 0.35 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1mjh h ASN 75 CO -0.36 0.62 0.11 0.50 -1.65 0.00 0.00 177.43 176.65 1mjh h LYS 76 N 0.67 0.88 -0.64 0.81 3.64 -0.89 0.27 116.57 121.31 1mjh h LYS 76 Ca 0.17 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1mjh h LYS 76 Cb 0.14 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1mjh h LYS 76 CO -0.02 0.85 0.18 -0.07 -2.27 0.00 0.00 179.45 178.12 1mjh h LEU 77 N 0.78 0.95 -0.38 5.20 3.38 -0.79 0.13 115.31 124.58 1mjh h LEU 77 Ca 0.17 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1mjh h LEU 77 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1mjh h LEU 77 CO 0.01 0.92 0.09 0.74 0.09 0.00 0.00 178.44 180.29 1mjh h THR 78 N 0.94 1.23 -0.37 0.22 2.02 -0.84 0.20 112.91 116.30 1mjh h THR 78 Ca 0.20 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1mjh h THR 78 Cb 0.32 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1mjh h THR 78 CO -0.00 0.27 0.22 -0.08 0.37 0.00 0.00 175.52 176.29 1mjh h GLU 79 N 0.47 0.43 -0.57 6.66 4.81 -0.58 -1.10 114.58 124.71 1mjh h GLU 79 Ca 0.12 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1mjh h GLU 79 Cb 0.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1mjh h GLU 79 CO 0.00 0.29 -0.04 0.93 -0.73 0.00 0.00 179.01 179.46 1mjh h GLU 80 N 0.45 1.03 -0.52 1.92 5.08 -0.77 -2.46 114.58 119.31 1mjh h GLU 80 Ca 0.15 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1mjh h GLU 80 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1mjh h GLU 80 CO -0.07 1.03 0.30 0.00 -1.00 0.00 0.00 179.01 179.28 1mjh h ALA 81 N 0.96 0.66 -0.74 3.43 0.00 -0.43 -2.09 119.26 121.06 1mjh h ALA 81 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mjh h ALA 81 Cb 0.59 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1mjh h ALA 81 CO 0.04 0.16 0.42 0.87 0.00 0.00 0.00 179.25 180.74 1mjh h LYS 82 N 0.70 1.01 -0.32 0.00 1.57 -1.00 0.32 116.57 118.85 1mjh h LYS 82 Ca 0.19 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1mjh h LYS 82 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1mjh h LYS 82 CO -0.03 0.73 -0.14 -0.91 -0.57 0.00 0.00 179.45 178.53 1mjh h ASN 83 N 1.02 0.67 -0.30 0.86 2.35 -1.11 -1.47 115.58 117.60 1mjh h ASN 83 Ca 0.26 -0.40 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 1mjh h ASN 83 Cb -0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1mjh h ASN 83 CO -0.05 0.92 -0.28 0.11 -1.65 0.00 0.00 177.43 176.48 1mjh h LYS 84 N 0.41 0.81 -0.19 0.81 1.57 -1.19 -3.13 116.57 115.66 1mjh h LYS 84 Ca 0.07 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.36 1mjh h LYS 84 Cb 0.66 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1mjh h LYS 84 CO 0.04 1.00 -0.43 0.52 -0.57 0.00 0.00 179.45 180.01 1mjh h MET 85 N 0.69 0.47 -0.78 3.15 2.86 -0.87 -2.80 114.93 117.65 1mjh h MET 85 Ca 0.08 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1mjh h MET 85 Cb 0.82 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.44 1mjh h MET 85 CO 0.07 0.81 0.49 1.49 1.06 0.00 0.00 176.91 180.83 1mjh h GLU 86 N 0.38 0.90 -0.29 1.72 4.57 -1.21 0.17 114.58 120.83 1mjh h GLU 86 Ca 0.03 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 57.99 1mjh h GLU 86 Cb 0.91 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1mjh h GLU 86 CO 0.08 0.60 -0.49 -0.91 -1.18 0.00 0.00 179.01 177.10 1mjh h ASN 87 N 0.93 0.87 -0.47 1.04 2.35 -1.55 -2.18 115.58 116.56 1mjh h ASN 87 Ca 0.32 -0.44 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1mjh h ASN 87 Cb 0.06 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1mjh h ASN 87 CO -0.13 1.21 0.03 0.40 -1.65 0.00 0.00 177.43 177.29 1mjh h ILE 88 N 0.62 1.26 -0.66 2.81 2.04 -1.19 -1.80 117.51 120.59 1mjh h ILE 88 Ca 0.03 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 64.96 1mjh h ILE 88 Cb 1.07 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 1mjh h ILE 88 CO 0.11 0.35 0.35 0.50 0.00 0.00 0.00 178.15 179.46 1mjh h LYS 89 N 0.67 0.62 -0.37 2.37 3.64 -0.90 -0.30 116.57 122.30 1mjh h LYS 89 Ca 0.14 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1mjh h LYS 89 Cb 0.46 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1mjh h LYS 89 CO 0.02 0.41 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.06 1mjh h LYS 90 N 0.63 0.83 -0.48 1.90 1.63 -1.12 -0.24 116.57 119.73 1mjh h LYS 90 Ca 0.31 -0.40 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 1mjh h LYS 90 Cb 0.24 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1mjh h LYS 90 CO -0.21 1.04 0.07 1.49 -3.45 0.00 0.00 179.45 178.39 1mjh h GLU 91 N 0.70 0.76 -0.32 1.90 4.81 -1.00 0.22 114.58 121.64 1mjh h GLU 91 Ca 0.07 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 1mjh h GLU 91 Cb 0.89 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1mjh h GLU 91 CO 0.08 0.72 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.65 1mjh h LEU 92 N 0.72 0.88 -0.98 1.64 3.38 -0.65 -3.14 115.31 117.16 1mjh h LEU 92 Ca 0.15 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1mjh h LEU 92 Cb 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1mjh h LEU 92 CO 0.01 1.18 -0.02 -0.33 0.09 0.00 0.00 178.44 179.36 1mjh h GLU 93 N 0.59 0.71 0.00 1.13 5.08 -0.56 -1.65 114.58 119.88 1mjh h GLU 93 Ca 0.05 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1mjh h GLU 93 Cb 0.95 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1mjh h GLU 93 CO 0.09 0.74 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.40 1mjh h ASP 94 N 0.66 0.00 -0.27 1.42 3.32 -0.54 0.21 116.42 121.22 1mjh h ASP 94 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1mjh h ASP 94 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1mjh h ASP 94 CO 0.02 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 1mjh n VAL 95 N -3.10 0.37 -0.00 -1.35 0.24 -0.96 -4.96 118.33 108.56 1mjh n VAL 95 Ca -0.03 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1mjh n VAL 95 Cb 0.07 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1mjh n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mjh n GLY 96 N 1.31 1.00 3.85 7.63 0.00 0.72 -5.02 105.19 114.68 1mjh n GLY 96 Ca 0.16 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1mjh n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjh s PHE 97 N -2.00 3.45 -0.04 1.61 0.08 -0.66 -4.67 117.98 115.75 1mjh s PHE 97 Ca 0.00 1.42 -0.25 0.00 0.12 0.00 0.00 56.93 58.22 1mjh s PHE 97 Cb 0.00 -2.75 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 1mjh s PHE 97 CO 0.00 -0.32 0.76 0.21 -0.10 0.00 0.00 175.22 175.77 1mjh s LYS 98 N -4.01 4.47 -0.12 0.44 2.20 -0.60 -4.17 119.74 117.95 1mjh s LYS 98 Ca 0.58 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 57.22 1mjh s LYS 98 Cb -0.10 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1mjh s LYS 98 CO 0.31 0.07 -0.20 0.08 -0.36 0.00 0.00 175.35 175.25 1mjh s VAL 99 N 0.72 2.36 -0.42 4.02 1.01 -1.26 -0.99 120.40 125.83 1mjh s VAL 99 Ca 0.40 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1mjh s VAL 99 Cb -0.19 -1.94 0.09 0.00 0.00 0.00 0.00 36.38 34.34 1mjh s VAL 99 CO 0.21 0.55 0.26 -0.75 0.00 0.00 0.00 175.10 175.36 1mjh s LYS 100 N 0.45 2.47 -0.10 2.72 2.20 0.31 -4.98 119.74 122.81 1mjh s LYS 100 Ca -0.14 -1.57 -0.22 0.00 -0.36 0.00 0.00 55.97 53.68 1mjh s LYS 100 Cb -0.17 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1mjh s LYS 100 CO 0.06 -1.01 0.63 0.16 -0.36 0.00 0.00 175.35 174.83 1mjh s ASP 101 N 2.16 6.86 -0.04 1.43 -4.77 -1.26 -0.88 116.67 120.16 1mjh s ASP 101 Ca 0.04 1.03 0.02 0.00 -3.30 0.00 0.00 52.55 50.34 1mjh s ASP 101 Cb -0.24 -2.37 0.01 0.00 -1.09 0.00 0.00 42.92 39.24 1mjh s ASP 101 CO 0.00 -0.12 -0.06 -0.63 0.70 0.00 0.00 175.17 175.06 1mjh s ILE 102 N 0.98 0.64 -0.10 2.11 1.01 0.17 -4.95 121.20 121.06 1mjh s ILE 102 Ca 0.33 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1mjh s ILE 102 Cb -0.17 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1mjh s ILE 102 CO 0.15 0.23 -0.16 -0.63 0.00 0.00 0.00 174.94 174.52 1mjh s ILE 103 N 0.59 1.54 0.04 2.92 1.01 -1.26 -1.45 121.20 124.59 1mjh s ILE 103 Ca -0.09 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1mjh s ILE 103 Cb -0.12 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1mjh s ILE 103 CO 0.01 0.45 -0.06 0.68 0.00 0.00 0.00 174.94 176.01 1mjh s VAL 104 N 0.75 0.42 -0.24 2.92 -7.23 -1.02 -5.02 120.40 110.99 1mjh s VAL 104 Ca -0.11 -1.19 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 1mjh s VAL 104 Cb -0.16 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1mjh s VAL 104 CO 0.02 -0.52 0.11 -0.69 -0.31 0.00 0.00 175.10 173.71 1mjh s VAL 105 N -1.85 4.78 -0.84 1.32 1.01 -1.26 0.23 120.40 123.79 1mjh s VAL 105 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1mjh s VAL 105 Cb -0.07 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1mjh s VAL 105 CO -0.01 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1mjh n GLY 106 N 4.58 -0.76 3.58 4.51 0.00 -0.42 -4.89 105.19 111.79 1mjh n GLY 106 Ca -0.16 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1mjh n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjh s ILE 107 N -3.96 5.30 0.16 -0.61 1.01 -1.26 -0.73 121.20 121.11 1mjh s ILE 107 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 1mjh s ILE 107 Cb 0.00 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.95 1mjh s ILE 107 CO 0.00 0.19 1.61 -0.65 0.00 0.00 0.00 174.94 176.09 1mjh h PRO 108 N 8.40 -0.25 -0.29 2.79 0.11 -1.90 -1.21 132.00 139.65 1mjh h PRO 108 Ca -0.34 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1mjh h PRO 108 Cb 1.18 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1mjh h PRO 108 CO 0.57 -0.17 -0.06 1.12 -0.21 0.00 0.00 178.00 179.26 1mjh h HIS 109 N -0.26 0.48 -0.23 0.65 2.07 -1.95 -1.24 115.15 114.67 1mjh h HIS 109 Ca 0.16 -0.05 -0.08 0.00 -2.85 0.00 0.00 60.37 57.55 1mjh h HIS 109 Cb 0.52 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.36 1mjh h HIS 109 CO -0.49 0.52 -0.16 0.93 -3.07 0.00 0.00 177.93 175.66 1mjh h GLU 110 N 0.44 0.52 -0.32 5.12 5.08 -1.75 -2.24 114.58 121.42 1mjh h GLU 110 Ca 0.09 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1mjh h GLU 110 Cb 0.38 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1mjh h GLU 110 CO 0.02 0.81 -0.01 0.93 -1.00 0.00 0.00 179.01 179.76 1mjh h GLU 111 N 0.22 0.50 -0.25 2.33 4.39 -1.02 -1.04 114.58 119.71 1mjh h GLU 111 Ca 0.05 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 1mjh h GLU 111 Cb 0.68 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1mjh h GLU 111 CO 0.04 0.54 -0.43 0.82 -1.16 0.00 0.00 179.01 178.82 1mjh h ILE 112 N 0.48 1.30 -0.17 3.13 2.04 -1.12 0.45 117.51 123.62 1mjh h ILE 112 Ca 0.10 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 1mjh h ILE 112 Cb 0.33 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1mjh h ILE 112 CO 0.01 0.52 0.08 0.58 0.00 0.00 0.00 178.15 179.34 1mjh h VAL 113 N 0.47 1.13 -0.43 1.67 2.07 -1.30 -1.57 116.25 118.29 1mjh h VAL 113 Ca 0.02 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1mjh h VAL 113 Cb 1.03 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1mjh h VAL 113 CO 0.10 0.12 0.19 0.50 0.02 0.00 0.00 177.57 178.50 1mjh h LYS 114 N 0.15 0.63 0.00 1.57 3.64 -1.06 -2.61 116.57 118.87 1mjh h LYS 114 Ca 0.06 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1mjh h LYS 114 Cb 0.12 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1mjh h LYS 114 CO -0.01 0.56 -0.60 0.82 -2.27 0.00 0.00 179.45 177.95 1mjh h ILE 115 N 0.55 1.17 -0.69 2.00 2.04 -0.83 0.59 117.51 122.34 1mjh h ILE 115 Ca 0.14 -2.27 -0.04 0.00 1.00 0.00 0.00 64.86 63.70 1mjh h ILE 115 Cb 0.15 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1mjh h ILE 115 CO -0.02 0.59 0.27 0.00 0.00 0.00 0.00 178.15 178.99 1mjh h ALA 116 N 1.40 0.90 -0.09 1.87 0.00 -1.26 0.45 119.26 122.54 1mjh h ALA 116 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1mjh h ALA 116 Cb 1.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1mjh h ALA 116 CO 0.08 0.53 -0.04 1.49 0.00 0.00 0.00 179.25 181.31 1mjh h GLU 117 N 0.99 0.18 0.00 0.00 4.57 -1.11 -2.56 114.58 116.65 1mjh h GLU 117 Ca 0.23 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1mjh h GLU 117 Cb 0.22 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1mjh h GLU 117 CO -0.02 0.53 -0.29 -0.44 -1.18 0.00 0.00 179.01 177.62 1mjh h ASP 118 N -0.19 0.00 0.13 1.04 3.32 -0.50 -2.05 116.42 118.17 1mjh h ASP 118 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1mjh h ASP 118 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1mjh h ASP 118 CO 0.01 0.29 -0.12 -0.62 -1.72 0.00 0.00 179.24 177.08 1mjh n GLU 119 N -3.94 1.19 -3.57 3.56 -0.58 0.12 -4.96 120.64 112.46 1mjh n GLU 119 Ca -0.02 -0.66 -0.20 0.00 -0.42 0.00 0.00 57.16 55.86 1mjh n GLU 119 Cb 0.36 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.81 1mjh n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mjh n GLY 120 N 1.25 -0.38 3.81 0.62 0.00 -0.77 -4.97 105.19 104.75 1mjh n GLY 120 Ca 0.16 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1mjh n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mjh s VAL 121 N -3.44 3.48 -0.12 1.61 -7.23 -0.99 -4.91 120.40 108.81 1mjh s VAL 121 Ca 0.13 0.48 0.21 0.00 -1.81 0.00 0.00 61.98 61.00 1mjh s VAL 121 Cb -0.06 -3.21 -0.20 0.00 0.56 0.00 0.00 36.38 33.47 1mjh s VAL 121 CO 0.76 -0.63 0.67 0.47 -0.31 0.00 0.00 175.10 176.06 1mjh n ASP 122 N -3.31 0.38 -3.54 4.85 8.00 0.55 -4.97 116.55 118.51 1mjh n ASP 122 Ca 0.07 0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 1mjh n ASP 122 Cb 0.55 1.18 -0.06 0.00 -0.02 0.00 0.00 41.12 42.77 1mjh n ASP 122 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1mjh s ILE 123 N -3.31 0.00 -0.18 0.53 2.07 -1.21 -4.44 121.20 114.66 1mjh s ILE 123 Ca -0.05 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.15 1mjh s ILE 123 Cb 0.11 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 1mjh s ILE 123 CO 0.85 0.00 -0.05 -0.63 -1.91 0.00 0.00 174.94 173.21 1mjh s ILE 124 N -1.13 3.59 -0.19 2.00 1.01 -0.59 -0.70 121.20 125.20 1mjh s ILE 124 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1mjh s ILE 124 Cb -0.00 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1mjh s ILE 124 CO 0.07 0.46 -0.12 -0.63 0.00 0.00 0.00 174.94 174.72 1mjh s ILE 125 N 0.90 2.76 0.20 2.92 1.01 -0.28 -0.26 121.20 128.45 1mjh s ILE 125 Ca -0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 1mjh s ILE 125 Cb -0.15 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1mjh s ILE 125 CO 0.01 0.49 0.40 0.00 0.00 0.00 0.00 174.94 175.84 1mjh s MET 126 N 1.25 1.35 0.74 2.79 0.23 -0.61 -4.09 119.30 120.96 1mjh s MET 126 Ca 0.03 -1.15 -0.11 0.00 -1.03 0.00 0.00 55.69 53.42 1mjh s MET 126 Cb -0.14 0.44 0.04 0.00 -1.53 0.00 0.00 34.83 33.63 1mjh s MET 126 CO -0.06 -0.54 1.10 0.20 -2.03 0.00 0.00 175.02 173.69 1mjh s GLY 127 N -2.97 1.63 0.26 3.16 0.00 -1.26 -1.12 107.32 107.01 1mjh s GLY 127 Ca 0.18 -0.28 0.13 0.00 0.00 0.00 0.00 44.72 44.75 1mjh s GLY 127 CO 0.03 0.11 1.47 1.48 0.00 0.00 0.00 173.10 176.19 1mjh h SER 128 N -0.83 0.00 -5.18 1.64 4.64 -0.76 -3.43 113.55 109.63 1mjh h SER 128 Ca -0.46 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.47 1mjh h SER 128 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 1mjh h SER 128 CO 0.62 0.61 -0.55 -1.00 -0.87 0.00 0.00 176.83 175.64 1mjh s HIS 129 N -3.05 1.56 0.00 4.77 3.76 -1.26 -0.57 115.29 120.49 1mjh s HIS 129 Ca 0.02 -1.45 0.00 0.00 -0.15 0.00 0.00 55.06 53.48 1mjh s HIS 129 Cb 0.09 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 33.02 1mjh s HIS 129 CO 0.75 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 1mjh n GLY 130 N -0.54 4.72 0.20 -2.22 0.00 -1.26 -4.32 105.19 101.78 1mjh n GLY 130 Ca 0.03 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.57 1mjh n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mjh h LYS 131 N 0.00 0.00 0.02 1.61 1.79 -1.97 -3.28 116.57 114.75 1mjh h LYS 131 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1mjh h LYS 131 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1mjh h LYS 131 CO 0.00 0.24 -0.01 1.15 -1.08 0.00 0.00 179.45 179.75 1mjh h THR 132 N 0.00 0.88 -6.58 -0.16 2.02 -2.01 -3.48 112.91 103.57 1mjh h THR 132 Ca -0.00 -1.59 -0.52 0.00 0.77 0.00 0.00 66.41 65.07 1mjh h THR 132 Cb 0.94 1.64 0.02 0.00 -1.74 0.00 0.00 68.15 69.00 1mjh h THR 132 CO 0.03 0.29 -0.97 -3.20 0.37 0.00 0.00 175.52 172.04 1mjh n ASN 133 N -4.73 -4.16 -4.71 4.18 5.15 -1.24 -4.91 115.26 104.84 1mjh n ASN 133 Ca -0.05 -1.15 -0.42 0.00 -0.60 0.00 0.00 54.58 52.36 1mjh n ASN 133 Cb 0.24 -2.57 -0.03 0.00 -0.53 0.00 0.00 39.78 36.89 1mjh n ASN 133 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1mjh s LEU 134 N -6.97 4.39 0.23 1.20 2.96 -1.26 -4.96 118.68 114.27 1mjh s LEU 134 Ca 0.43 1.67 -0.09 0.00 -0.22 0.00 0.00 54.13 55.92 1mjh s LEU 134 Cb -0.19 -3.56 0.36 0.00 0.50 0.00 0.00 46.19 43.30 1mjh s LEU 134 CO 0.92 -0.22 1.65 0.50 -1.32 0.00 0.00 176.35 177.87 1mjh h LYS 135 N 6.58 0.10 0.00 1.98 3.64 -2.05 -1.94 116.57 124.88 1mjh h LYS 135 Ca -0.41 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1mjh h LYS 135 Cb 1.22 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1mjh h LYS 135 CO 0.74 0.07 -0.11 1.49 -2.27 0.00 0.00 179.45 179.37 1mjh h GLU 136 N 0.11 0.00 -6.24 1.90 4.81 -2.03 -3.43 114.58 109.70 1mjh h GLU 136 Ca 0.36 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 59.04 1mjh h GLU 136 Cb 0.61 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1mjh h GLU 136 CO -0.60 0.11 0.41 0.42 -0.73 0.00 0.00 179.01 178.62 1mjh s ILE 137 N -4.12 4.86 -1.61 2.32 -1.09 -0.73 -4.94 121.20 115.90 1mjh s ILE 137 Ca -0.02 1.91 0.21 0.00 -2.23 0.00 0.00 60.65 60.52 1mjh s ILE 137 Cb 0.13 -4.26 -0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1mjh s ILE 137 CO 0.58 0.10 0.99 0.18 -1.23 0.00 0.00 174.94 175.55 1mjh n LEU 138 N 4.48 1.62 -3.65 2.97 4.77 -1.26 -4.79 117.00 121.14 1mjh n LEU 138 Ca 0.06 -0.67 -0.07 0.00 -0.03 0.00 0.00 56.01 55.30 1mjh n LEU 138 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1mjh n LEU 138 CO 0.51 0.32 0.27 -0.22 -1.33 0.00 0.00 177.39 176.94 1mjh s LEU 139 N -2.61 -0.79 0.81 2.23 2.96 -1.26 -5.00 118.68 115.02 1mjh s LEU 139 Ca 0.14 1.38 -0.13 0.00 -0.22 0.00 0.00 54.13 55.31 1mjh s LEU 139 Cb 0.17 2.14 0.08 0.00 0.50 0.00 0.00 46.19 49.08 1mjh s LEU 139 CO 0.65 -0.23 1.17 -0.83 -1.32 0.00 0.00 176.35 175.79 1mjh s GLY 140 N 1.76 2.02 0.37 7.98 0.00 0.26 -4.85 107.32 114.86 1mjh s GLY 140 Ca -0.09 0.70 0.20 0.00 0.00 0.00 0.00 44.72 45.53 1mjh s GLY 140 CO -0.18 1.11 1.62 1.48 0.00 0.00 0.00 173.10 177.12 1mjh h SER 141 N -1.00 0.00 -0.07 1.64 4.64 -1.99 -1.71 113.55 115.05 1mjh h SER 141 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1mjh h SER 141 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1mjh h SER 141 CO 0.47 0.30 -0.04 0.58 -0.87 0.00 0.00 176.83 177.27 1mjh h VAL 142 N 0.00 1.33 -0.64 0.95 2.07 -1.94 -1.11 116.25 116.92 1mjh h VAL 142 Ca -0.00 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 1mjh h VAL 142 Cb 1.07 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1mjh h VAL 142 CO 0.04 0.30 0.08 0.74 0.02 0.00 0.00 177.57 178.75 1mjh h THR 143 N -0.24 1.26 -0.40 2.57 2.02 -1.83 0.24 112.91 116.53 1mjh h THR 143 Ca 0.01 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1mjh h THR 143 Cb 0.49 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1mjh h THR 143 CO 0.01 0.39 0.27 -0.08 0.37 0.00 0.00 175.52 176.48 1mjh h GLU 144 N 0.99 0.53 -0.33 6.66 4.81 -1.29 -0.74 114.58 125.21 1mjh h GLU 144 Ca 0.19 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1mjh h GLU 144 Cb 0.45 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1mjh h GLU 144 CO 0.02 0.35 0.08 -0.91 -0.73 0.00 0.00 179.01 177.81 1mjh h ASN 145 N 0.54 0.50 -0.48 1.04 2.35 -0.97 -1.84 115.58 116.72 1mjh h ASN 145 Ca 0.15 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1mjh h ASN 145 Cb -0.06 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1mjh h ASN 145 CO -0.03 0.60 0.25 0.58 -1.65 0.00 0.00 177.43 177.18 1mjh h VAL 146 N 0.37 1.18 -0.87 2.81 2.07 -0.51 0.16 116.25 121.46 1mjh h VAL 146 Ca 0.10 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1mjh h VAL 146 Cb 0.30 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 1mjh h VAL 146 CO 0.00 0.19 0.53 0.40 0.02 0.00 0.00 177.57 178.71 1mjh h ILE 147 N 0.64 1.00 0.00 4.57 2.04 -1.09 0.52 117.51 125.19 1mjh h ILE 147 Ca 0.17 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 1mjh h ILE 147 Cb 0.08 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1mjh h ILE 147 CO -0.02 0.17 -0.69 0.11 0.00 0.00 0.00 178.15 177.71 1mjh h LYS 148 N 0.93 0.00 0.00 2.37 1.57 -1.03 -3.37 116.57 117.04 1mjh h LYS 148 Ca 0.39 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.84 1mjh h LYS 148 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1mjh h LYS 148 CO -0.20 0.69 -2.26 1.63 -0.57 0.00 0.00 179.45 178.74 1mjh n LYS 149 N -3.34 0.97 -2.87 3.15 5.02 0.02 -4.98 118.16 116.14 1mjh n LYS 149 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 1mjh n LYS 149 Cb 0.79 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 1mjh n LYS 149 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mjh s SER 150 N -5.34 7.07 -0.00 4.39 0.15 0.15 -4.98 113.70 115.14 1mjh s SER 150 Ca -0.11 1.67 0.18 0.00 0.70 0.00 0.00 55.95 58.39 1mjh s SER 150 Cb 0.06 -2.52 0.52 0.00 -1.71 0.00 0.00 66.02 62.37 1mjh s SER 150 CO 0.73 -0.21 1.44 -0.46 1.20 0.00 0.00 173.24 175.94 1mjh n ASN 151 N -0.09 3.19 -4.83 5.45 0.23 -1.26 -4.86 115.26 113.08 1mjh n ASN 151 Ca 0.04 -2.02 -0.34 0.00 -0.53 0.00 0.00 54.58 51.73 1mjh n ASN 151 Cb 0.52 -0.40 -0.06 0.00 -2.08 0.00 0.00 39.78 37.76 1mjh n ASN 151 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1mjh s LYS 152 N -1.24 4.10 0.37 -3.83 -0.14 -1.26 -5.03 119.74 112.71 1mjh s LYS 152 Ca 0.40 0.72 -0.28 0.00 -1.36 0.00 0.00 55.97 55.44 1mjh s LYS 152 Cb 0.21 -2.70 -0.11 0.00 -1.68 0.00 0.00 37.83 33.54 1mjh s LYS 152 CO 0.26 0.31 1.45 -2.30 -0.76 0.00 0.00 175.35 174.32 1mjh n PRO 153 N 0.27 2.58 -4.30 -1.68 -0.02 -1.26 -4.87 135.00 125.71 1mjh n PRO 153 Ca -0.00 0.90 -0.28 0.00 -2.02 0.00 0.00 63.50 62.10 1mjh n PRO 153 Cb 0.52 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.23 1mjh n PRO 153 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mjh s VAL 154 N -1.10 1.41 -0.38 -1.45 1.01 -1.26 -1.54 120.40 117.10 1mjh s VAL 154 Ca 0.54 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1mjh s VAL 154 Cb -0.49 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1mjh s VAL 154 CO 0.63 0.43 0.45 -0.22 0.00 0.00 0.00 175.10 176.39 1mjh s LEU 155 N 1.16 4.56 -0.24 3.92 2.96 0.64 -4.99 118.68 126.69 1mjh s LEU 155 Ca -0.03 -0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 53.36 1mjh s LEU 155 Cb -0.14 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1mjh s LEU 155 CO -0.04 -0.49 0.57 -0.69 -1.32 0.00 0.00 176.35 174.38 1mjh s VAL 156 N 2.22 5.04 -0.23 1.68 1.01 -1.26 -1.57 120.40 127.28 1mjh s VAL 156 Ca 0.15 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 1mjh s VAL 156 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1mjh s VAL 156 CO 0.13 0.09 0.05 -0.69 0.00 0.00 0.00 175.10 174.68 1mjh s VAL 157 N 2.18 4.21 0.56 2.92 1.01 -0.27 -4.87 120.40 126.14 1mjh s VAL 157 Ca 0.25 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 1mjh s VAL 157 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1mjh s VAL 157 CO 0.09 0.37 1.02 -0.54 0.00 0.00 0.00 175.10 176.04 1mjh s LYS 158 N 1.42 3.61 1.16 2.72 -0.14 -1.26 -0.01 119.74 127.23 1mjh s LYS 158 Ca 0.05 1.07 -0.13 0.00 -1.36 0.00 0.00 55.97 55.60 1mjh s LYS 158 Cb -0.15 -2.08 0.28 0.00 -1.68 0.00 0.00 37.83 34.20 1mjh s LYS 158 CO 0.03 -0.56 1.03 -0.98 -0.76 0.00 0.00 175.35 174.11 1mjh s ARG 159 N -4.15 -0.88 0.74 1.68 1.70 -1.26 -4.83 118.95 111.96 1mjh s ARG 159 Ca 0.61 0.70 -0.15 0.00 -0.47 0.00 0.00 55.73 56.42 1mjh s ARG 159 Cb -0.13 -1.57 0.05 0.00 -0.57 0.00 0.00 34.95 32.73 1mjh s ARG 159 CO 0.36 -3.66 1.21 0.15 -1.08 0.00 0.00 175.30 172.28 1mjh s LYS 160 N -4.58 2.04 0.36 3.89 1.02 -1.26 -4.90 119.74 116.31 1mjh s LYS 160 Ca 0.68 1.77 0.24 0.00 0.02 0.00 0.00 55.97 58.68 1mjh s LYS 160 Cb -0.23 -1.82 0.55 0.00 -0.52 0.00 0.00 37.83 35.80 1mjh s LYS 160 CO 0.63 -1.91 1.68 -0.91 -0.92 0.00 0.00 175.35 173.92 1mjh h ASN 161 N -0.41 0.00 0.00 2.83 2.35 -2.06 -3.54 115.58 114.76 1mjh h ASN 161 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1mjh h ASN 161 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1mjh h ASN 161 CO 0.49 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 175.07