#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mj4 s THR 4 N 0.00 -0.03 -0.24 6.66 2.01 -1.26 -5.12 115.64 117.67 1mj4 s THR 4 Ca 0.00 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 1mj4 s THR 4 Cb 0.00 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.15 1mj4 s THR 4 CO 0.00 0.04 1.01 -2.28 -0.69 0.00 0.00 174.62 172.70 1mj4 s HIS 5 N 0.88 3.32 -0.14 4.92 5.65 -1.26 -4.97 115.29 123.68 1mj4 s HIS 5 Ca -0.06 1.39 -0.03 0.00 0.25 0.00 0.00 55.06 56.61 1mj4 s HIS 5 Cb -0.07 -3.28 -0.03 0.00 -1.18 0.00 0.00 32.58 28.02 1mj4 s HIS 5 CO -0.06 -0.50 -0.02 0.42 -0.65 0.00 0.00 174.74 173.94 1mj4 s ILE 6 N 3.19 4.04 0.12 0.89 -1.09 -1.26 -0.68 121.20 126.41 1mj4 s ILE 6 Ca 0.43 -0.31 0.10 0.00 -2.23 0.00 0.00 60.65 58.63 1mj4 s ILE 6 Cb -0.15 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 1mj4 s ILE 6 CO 0.07 0.52 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.74 1mj4 s TYR 7 N 0.08 2.12 0.39 3.97 1.51 0.30 -4.95 117.35 120.76 1mj4 s TYR 7 Ca 0.01 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.60 1mj4 s TYR 7 Cb -0.13 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 1mj4 s TYR 7 CO 0.02 0.28 0.71 0.95 -1.11 0.00 0.00 175.55 176.40 1mj4 s THR 8 N -1.08 4.88 0.38 -0.71 -4.23 -1.26 -4.17 115.64 109.45 1mj4 s THR 8 Ca 0.11 0.35 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1mj4 s THR 8 Cb -0.10 -3.76 0.29 0.00 1.34 0.00 0.00 72.50 70.27 1mj4 s THR 8 CO 0.05 -0.53 1.98 0.11 -0.54 0.00 0.00 174.62 175.70 1mj4 h LYS 9 N 1.17 0.63 -0.61 3.99 1.57 -1.99 -0.30 116.57 121.03 1mj4 h LYS 9 Ca -0.47 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.20 1mj4 h LYS 9 Cb 1.19 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1mj4 h LYS 9 CO 0.64 0.42 0.13 0.93 -0.57 0.00 0.00 179.45 180.99 1mj4 h GLU 10 N 0.65 0.98 0.00 3.15 3.07 -1.96 -1.13 114.58 119.34 1mj4 h GLU 10 Ca 0.28 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1mj4 h GLU 10 Cb 0.25 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1mj4 h GLU 10 CO -0.08 0.88 0.00 -1.91 -1.40 0.00 0.00 179.01 176.50 1mj4 n GLU 11 N -4.24 0.00 -0.29 2.33 0.00 -0.22 -2.58 120.64 115.64 1mj4 n GLU 11 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 57.16 57.21 1mj4 n GLU 11 Cb 0.26 -0.29 0.11 0.00 0.00 0.00 0.00 31.44 31.52 1mj4 n GLU 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1mj4 h VAL 12 N 0.00 1.09 0.00 6.31 2.07 -1.08 -2.70 116.25 121.94 1mj4 h VAL 12 Ca 0.00 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1mj4 h VAL 12 Cb 0.00 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1mj4 h VAL 12 CO 0.00 0.17 -0.00 0.77 0.02 0.00 0.00 177.57 178.53 1mj4 h SER 13 N 0.96 0.00 0.91 0.57 4.64 -0.94 -1.05 113.55 118.65 1mj4 h SER 13 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1mj4 h SER 13 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1mj4 h SER 13 CO -0.14 0.00 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.22 1mj4 n SER 14 N -3.18 0.07 -4.29 4.97 3.41 -1.02 -4.59 113.62 109.00 1mj4 n SER 14 Ca -0.03 0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 58.52 1mj4 n SER 14 Cb 0.09 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1mj4 n SER 14 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1mj4 s HIS 15 N -2.98 4.08 0.00 7.33 3.76 -0.40 -4.69 115.29 122.39 1mj4 s HIS 15 Ca 0.14 -2.63 0.00 0.00 -0.15 0.00 0.00 55.06 52.43 1mj4 s HIS 15 Cb 0.19 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.17 1mj4 s HIS 15 CO 0.55 -0.92 0.67 0.25 -0.85 0.00 0.00 174.74 174.44 1mj4 n THR 16 N 2.90 0.44 -4.03 1.30 -2.24 -1.16 -1.30 114.28 110.19 1mj4 n THR 16 Ca 0.21 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1mj4 n THR 16 Cb 0.40 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1mj4 n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mj4 s SER 17 N -0.44 0.22 0.30 3.42 1.04 -1.23 -4.88 113.70 112.12 1mj4 s SER 17 Ca 0.00 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 55.47 1mj4 s SER 17 Cb 0.00 0.33 0.57 0.00 0.10 0.00 0.00 66.02 67.03 1mj4 s SER 17 CO 0.00 -0.76 1.87 -0.65 0.98 0.00 0.00 173.24 174.68 1mj4 h PRO 18 N 2.78 0.95 -0.54 4.02 0.11 -1.98 0.76 132.00 138.11 1mj4 h PRO 18 Ca -0.34 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.75 1mj4 h PRO 18 Cb 1.20 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1mj4 h PRO 18 CO 0.56 0.63 0.31 1.05 -0.21 0.00 0.00 178.00 180.34 1mj4 h GLU 19 N 0.98 0.60 0.00 1.05 4.11 -2.02 -2.20 114.58 117.11 1mj4 h GLU 19 Ca 0.45 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.76 1mj4 h GLU 19 Cb 0.40 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1mj4 h GLU 19 CO -0.21 0.40 -0.89 0.00 0.07 0.00 0.00 179.01 178.38 1mj4 h THR 20 N 0.62 0.41 0.00 -1.06 1.03 -1.81 -3.50 112.91 108.60 1mj4 h THR 20 Ca 0.22 -1.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.94 1mj4 h THR 20 Cb 0.05 2.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1mj4 h THR 20 CO -0.11 0.23 0.00 0.61 -0.01 0.00 0.00 175.52 176.24 1mj4 n GLY 21 N 1.26 0.11 3.46 2.99 0.00 0.26 -4.94 105.19 108.33 1mj4 n GLY 21 Ca -0.02 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1mj4 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mj4 s ILE 22 N -1.62 4.88 0.13 -0.61 1.01 -1.19 -3.00 121.20 120.79 1mj4 s ILE 22 Ca 0.00 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1mj4 s ILE 22 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1mj4 s ILE 22 CO 0.00 -0.04 -0.18 0.26 0.00 0.00 0.00 174.94 174.98 1mj4 s TRP 23 N 1.65 2.52 0.18 3.97 0.52 -0.42 -0.96 118.94 126.39 1mj4 s TRP 23 Ca 0.05 -0.27 -0.00 0.00 0.02 0.00 0.00 56.10 55.90 1mj4 s TRP 23 Cb -0.18 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.78 1mj4 s TRP 23 CO 0.08 0.41 0.07 0.14 0.02 0.00 0.00 176.95 177.66 1mj4 s VAL 24 N -1.24 0.28 0.18 4.03 -7.23 -0.53 -0.04 120.40 115.85 1mj4 s VAL 24 Ca 0.19 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.49 1mj4 s VAL 24 Cb -0.10 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1mj4 s VAL 24 CO 0.10 -0.28 -0.21 0.42 -0.31 0.00 0.00 175.10 174.83 1mj4 s THR 25 N -3.94 2.06 -0.13 5.32 -4.23 -0.46 -0.94 115.64 113.32 1mj4 s THR 25 Ca 0.30 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1mj4 s THR 25 Cb 0.07 -1.96 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1mj4 s THR 25 CO 0.07 -0.22 0.28 -0.22 -0.54 0.00 0.00 174.62 173.99 1mj4 s LEU 26 N -2.65 -0.16 0.00 4.79 2.96 -0.60 -0.62 118.68 122.40 1mj4 s LEU 26 Ca 0.18 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1mj4 s LEU 26 Cb -0.07 0.79 0.00 0.00 0.50 0.00 0.00 46.19 47.41 1mj4 s LEU 26 CO 0.08 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1mj4 n GLY 27 N 5.06 3.26 0.91 7.98 0.00 -1.26 -1.42 105.19 119.73 1mj4 n GLY 27 Ca -0.11 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1mj4 n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mj4 n SER 28 N 2.82 2.67 -4.88 1.61 7.64 -1.26 -4.95 113.62 117.28 1mj4 n SER 28 Ca 0.00 -1.94 -0.33 0.00 1.01 0.00 0.00 58.87 57.60 1mj4 n SER 28 Cb 0.00 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.86 1mj4 n SER 28 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mj4 s GLU 29 N -1.43 3.72 -0.09 1.43 2.02 -0.50 -0.24 118.70 123.61 1mj4 s GLU 29 Ca 0.35 0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.47 1mj4 s GLU 29 Cb 0.19 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1mj4 s GLU 29 CO 0.25 0.51 -0.16 0.08 0.02 0.00 0.00 175.26 175.97 1mj4 s VAL 30 N -1.51 2.86 -0.04 2.63 1.01 0.02 -1.56 120.40 123.80 1mj4 s VAL 30 Ca 0.37 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1mj4 s VAL 30 Cb -0.13 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1mj4 s VAL 30 CO 0.20 0.56 -0.10 -0.36 0.00 0.00 0.00 175.10 175.40 1mj4 s PHE 31 N -0.12 1.07 -0.56 5.22 0.40 -0.12 -0.76 117.98 123.11 1mj4 s PHE 31 Ca -0.02 -0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 55.85 1mj4 s PHE 31 Cb -0.14 -0.78 0.14 0.00 0.51 0.00 0.00 43.02 42.75 1mj4 s PHE 31 CO 0.04 -0.15 0.53 0.34 0.70 0.00 0.00 175.22 176.68 1mj4 s ASP 32 N 0.35 6.24 -0.10 1.36 -1.08 -0.25 -1.45 116.67 121.74 1mj4 s ASP 32 Ca -0.06 -1.86 0.18 0.00 -0.52 0.00 0.00 52.55 50.29 1mj4 s ASP 32 Cb -0.11 -2.21 0.69 0.00 -1.46 0.00 0.00 42.92 39.83 1mj4 s ASP 32 CO 0.01 -0.84 1.60 1.33 0.52 0.00 0.00 175.17 177.79 1mj4 n VAL 33 N 5.15 1.76 -0.25 1.11 0.24 -0.14 -4.67 118.33 121.54 1mj4 n VAL 33 Ca -0.12 -1.21 -0.01 0.00 -2.04 0.00 0.00 64.34 60.96 1mj4 n VAL 33 Cb 0.41 0.16 0.05 0.00 -1.47 0.00 0.00 33.84 32.99 1mj4 n VAL 33 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1mj4 h THR 34 N 3.90 0.19 0.00 3.34 2.02 -1.90 -0.03 112.91 120.43 1mj4 h THR 34 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1mj4 h THR 34 Cb 1.39 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1mj4 h THR 34 CO 0.20 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.47 1mj4 n GLU 35 N -5.47 0.19 0.01 6.66 -0.58 -1.26 -3.13 120.64 117.05 1mj4 n GLU 35 Ca 0.08 0.31 -0.10 0.00 -0.42 0.00 0.00 57.16 57.04 1mj4 n GLU 35 Cb 0.38 -1.79 -0.14 0.00 -0.57 0.00 0.00 31.44 29.32 1mj4 n GLU 35 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1mj4 h PHE 36 N 0.00 0.06 -0.89 -0.32 3.57 -1.36 -3.43 116.94 114.58 1mj4 h PHE 36 Ca 0.00 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.57 1mj4 h PHE 36 Cb 0.49 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 1mj4 h PHE 36 CO 0.00 1.07 0.51 -0.24 -2.23 0.00 0.00 178.31 177.43 1mj4 h VAL 37 N 0.01 0.86 0.00 1.41 3.04 -1.44 -0.12 116.25 120.02 1mj4 h VAL 37 Ca -0.22 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 1mj4 h VAL 37 Cb 1.96 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1mj4 h VAL 37 CO 0.10 0.15 -0.03 0.44 -1.01 0.00 0.00 177.57 177.22 1mj4 h ASP 38 N 0.81 0.00 -0.02 3.17 3.32 -1.82 -1.68 116.42 120.21 1mj4 h ASP 38 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1mj4 h ASP 38 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1mj4 h ASP 38 CO -0.28 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.45 1mj4 n LEU 39 N -3.19 1.45 -4.71 1.55 7.99 -0.06 -4.64 117.00 115.38 1mj4 n LEU 39 Ca -0.01 -0.48 -0.42 0.00 -0.01 0.00 0.00 56.01 55.09 1mj4 n LEU 39 Cb 0.22 -0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.50 1mj4 n LEU 39 CO 0.25 0.24 1.33 -2.28 -1.51 0.00 0.00 177.39 175.43 1mj4 s HIS 40 N -2.00 2.77 0.02 -1.77 2.46 -0.63 -4.90 115.29 111.25 1mj4 s HIS 40 Ca 0.38 0.38 -0.36 0.00 0.47 0.00 0.00 55.06 55.94 1mj4 s HIS 40 Cb 0.21 -4.04 -0.14 0.00 -0.13 0.00 0.00 32.58 28.47 1mj4 s HIS 40 CO 0.34 -4.01 1.60 -2.30 -2.47 0.00 0.00 174.74 167.90 1mj4 n PRO 41 N 4.48 1.73 -0.44 2.88 -0.02 -1.26 -0.58 135.00 141.79 1mj4 n PRO 41 Ca 0.15 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1mj4 n PRO 41 Cb 0.38 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1mj4 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mj4 n GLY 42 N 3.50 1.62 0.00 -1.23 0.00 -1.26 -4.88 105.19 102.94 1mj4 n GLY 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1mj4 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mj4 n GLY 43 N -2.00 2.18 0.19 -0.02 0.00 0.25 -4.79 105.19 101.00 1mj4 n GLY 43 Ca 0.00 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.12 1mj4 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mj4 h PRO 44 N 0.00 0.00 -0.64 1.61 0.13 -1.75 -3.33 132.00 128.02 1mj4 h PRO 44 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1mj4 h PRO 44 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1mj4 h PRO 44 CO 0.00 0.37 0.25 1.03 -0.23 0.00 0.00 178.00 179.42 1mj4 h SER 45 N 0.00 0.86 -0.33 1.44 0.87 -1.90 -1.69 113.55 112.80 1mj4 h SER 45 Ca -0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1mj4 h SER 45 Cb 0.91 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1mj4 h SER 45 CO 0.05 0.78 0.17 0.11 -0.53 0.00 0.00 176.83 177.40 1mj4 h LYS 46 N 0.92 0.46 -0.87 2.24 1.79 -1.90 -2.75 116.57 116.47 1mj4 h LYS 46 Ca 0.22 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.72 1mj4 h LYS 46 Cb 0.19 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.68 1mj4 h LYS 46 CO -0.02 0.41 0.51 1.25 -1.08 0.00 0.00 179.45 180.52 1mj4 h LEU 47 N 0.40 0.73 -1.75 2.94 6.46 -1.62 -2.27 115.31 120.19 1mj4 h LEU 47 Ca 0.11 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1mj4 h LEU 47 Cb 0.10 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1mj4 h LEU 47 CO -0.02 0.41 0.00 0.24 -0.62 0.00 0.00 178.44 178.45 1mj4 h MET 48 N 0.84 0.00 -0.64 1.25 2.86 -1.02 -1.61 114.93 116.61 1mj4 h MET 48 Ca 0.42 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.24 1mj4 h MET 48 Cb 0.39 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1mj4 h MET 48 CO -0.25 0.00 0.45 -0.07 1.06 0.00 0.00 176.91 178.10 1mj4 h LEU 49 N 0.00 0.05 -0.72 1.22 3.38 -1.36 -1.79 115.31 116.10 1mj4 h LEU 49 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mj4 h LEU 49 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1mj4 h LEU 49 CO 0.00 0.03 -0.31 0.00 0.09 0.00 0.00 178.44 178.25 1mj4 n ALA 50 N -2.64 3.20 -1.65 1.53 0.00 -0.61 -4.99 120.51 115.35 1mj4 n ALA 50 Ca 0.12 -0.49 -0.45 0.00 0.00 0.00 0.00 53.44 52.62 1mj4 n ALA 50 Cb 0.67 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1mj4 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mj4 n ALA 51 N -0.35 0.61 -0.90 0.00 0.00 -0.67 -2.09 120.51 117.11 1mj4 n ALA 51 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1mj4 n ALA 51 Cb 0.39 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1mj4 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mj4 n GLY 52 N 1.58 0.76 0.00 0.00 0.00 0.94 -4.89 105.19 103.58 1mj4 n GLY 52 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1mj4 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mj4 n GLY 53 N -2.42 2.87 3.78 -0.02 0.00 -0.89 -3.14 105.19 105.38 1mj4 n GLY 53 Ca 0.00 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1mj4 n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mj4 s PRO 54 N -1.31 4.19 0.17 1.61 0.04 -1.26 -1.35 135.00 137.09 1mj4 s PRO 54 Ca 0.00 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.58 1mj4 s PRO 54 Cb 0.00 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1mj4 s PRO 54 CO 0.00 -0.11 1.38 -0.07 0.04 0.00 0.00 177.00 178.24 1mj4 h LEU 55 N 2.50 0.09 -0.74 -3.56 3.38 -1.18 -3.39 115.31 112.41 1mj4 h LEU 55 Ca -0.48 -0.08 0.17 0.00 0.09 0.00 0.00 57.88 57.58 1mj4 h LEU 55 Cb 1.21 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 1mj4 h LEU 55 CO 0.62 0.93 0.06 -0.33 0.09 0.00 0.00 178.44 179.81 1mj4 h GLU 56 N 0.03 0.15 0.00 1.13 3.07 -1.93 0.53 114.58 117.55 1mj4 h GLU 56 Ca -0.02 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1mj4 h GLU 56 Cb 1.54 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.42 1mj4 h GLU 56 CO 0.12 0.10 -0.05 -1.35 -1.40 0.00 0.00 179.01 176.42 1mj4 h PRO 57 N 0.15 0.00 0.01 2.33 0.11 -1.99 -2.31 132.00 130.30 1mj4 h PRO 57 Ca 0.41 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.19 1mj4 h PRO 57 Cb 0.72 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.78 1mj4 h PRO 57 CO -0.61 0.05 -1.84 1.19 -0.21 0.00 0.00 178.00 176.59 1mj4 n PHE 58 N -3.24 0.64 0.28 0.65 3.01 -0.41 -4.37 117.46 114.02 1mj4 n PHE 58 Ca -0.01 0.25 0.13 0.00 1.01 0.00 0.00 57.45 58.84 1mj4 n PHE 58 Cb 0.26 -1.07 0.82 0.00 -0.01 0.00 0.00 39.48 39.48 1mj4 n PHE 58 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 1mj4 h TRP 59 N -0.84 0.00 -0.77 1.38 4.06 -0.93 -1.70 115.95 117.14 1mj4 h TRP 59 Ca -0.49 0.00 0.17 0.00 2.06 0.00 0.00 58.89 60.63 1mj4 h TRP 59 Cb 1.51 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.62 1mj4 h TRP 59 CO 0.03 0.04 0.52 0.00 -3.56 0.00 0.00 178.44 175.47 1mj4 h ALA 60 N 1.96 2.22 -0.01 1.49 0.00 -1.61 -0.78 119.26 122.52 1mj4 h ALA 60 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mj4 h ALA 60 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mj4 h ALA 60 CO 0.01 -0.43 -0.21 1.28 0.00 0.00 0.00 179.25 179.89 1mj4 n LEU 61 N -4.46 1.00 -3.55 0.00 4.32 -0.64 -4.60 117.00 109.07 1mj4 n LEU 61 Ca 0.15 -0.25 -0.27 0.00 -0.02 0.00 0.00 56.01 55.61 1mj4 n LEU 61 Cb 0.60 -0.12 -0.11 0.00 -1.62 0.00 0.00 43.42 42.17 1mj4 n LEU 61 CO 0.33 0.18 -0.23 -0.31 -1.22 0.00 0.00 177.39 176.15 1mj4 s TYR 62 N -2.45 1.87 -1.40 -1.77 2.02 -0.30 -4.97 117.35 110.35 1mj4 s TYR 62 Ca 0.26 -2.64 0.12 0.00 -0.37 0.00 0.00 57.07 54.44 1mj4 s TYR 62 Cb 0.19 -1.48 0.59 0.00 -0.40 0.00 0.00 41.96 40.86 1mj4 s TYR 62 CO 0.50 -0.74 1.28 0.00 -1.57 0.00 0.00 175.55 175.02 1mj4 n ALA 63 N 2.60 1.70 0.31 3.71 0.00 -1.26 -1.90 120.51 125.66 1mj4 n ALA 63 Ca 0.26 -0.05 0.19 0.00 0.00 0.00 0.00 53.44 53.83 1mj4 n ALA 63 Cb 0.44 -1.19 1.04 0.00 0.00 0.00 0.00 19.45 19.74 1mj4 n ALA 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1mj4 h VAL 64 N 0.00 0.27 0.00 0.00 3.04 -1.93 0.21 116.25 117.85 1mj4 h VAL 64 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1mj4 h VAL 64 Cb 0.12 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1mj4 h VAL 64 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.97 1mj4 n HIS 65 N -3.47 0.00 -2.02 3.17 8.25 -0.80 -4.26 115.22 116.09 1mj4 n HIS 65 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1mj4 n HIS 65 Cb 0.11 -0.48 -0.00 0.00 1.12 0.00 0.00 29.99 30.73 1mj4 n HIS 65 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1mj4 n ASN 66 N -1.48 7.39 -3.97 0.41 3.02 0.06 -4.56 115.26 116.13 1mj4 n ASN 66 Ca 0.06 -3.09 -0.14 0.00 -0.03 0.00 0.00 54.58 51.38 1mj4 n ASN 66 Cb 0.27 -1.40 -0.13 0.00 -0.61 0.00 0.00 39.78 37.90 1mj4 n ASN 66 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1mj4 s GLN 67 N -0.52 0.39 0.39 3.52 -0.21 -1.26 -5.06 119.66 116.91 1mj4 s GLN 67 Ca 0.52 -0.33 0.07 0.00 0.02 0.00 0.00 55.36 55.64 1mj4 s GLN 67 Cb 0.16 -0.30 0.80 0.00 1.00 0.00 0.00 33.01 34.68 1mj4 s GLN 67 CO -0.07 0.07 2.00 0.66 -2.12 0.00 0.00 175.29 175.84 1mj4 h SER 68 N 5.59 0.57 -0.13 5.90 4.64 -1.97 -2.12 113.55 126.03 1mj4 h SER 68 Ca -0.30 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.92 1mj4 h SER 68 Cb 1.20 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1mj4 h SER 68 CO 0.47 0.39 -0.25 1.12 -0.87 0.00 0.00 176.83 177.69 1mj4 h HIS 69 N 0.66 0.65 -0.50 4.77 2.07 -1.97 -1.98 115.15 118.86 1mj4 h HIS 69 Ca 0.24 -0.14 -0.08 0.00 -2.85 0.00 0.00 60.37 57.54 1mj4 h HIS 69 Cb 0.14 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 29.95 1mj4 h HIS 69 CO -0.00 0.78 0.01 0.28 -3.07 0.00 0.00 177.93 175.93 1mj4 h VAL 70 N 0.51 1.26 -0.47 6.12 2.07 -1.68 -0.19 116.25 123.87 1mj4 h VAL 70 Ca 0.07 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 1mj4 h VAL 70 Cb 0.70 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1mj4 h VAL 70 CO 0.05 0.37 -0.12 0.03 0.02 0.00 0.00 177.57 177.93 1mj4 h ARG 71 N 0.74 0.86 -0.00 1.57 2.47 -1.22 -1.50 114.38 117.29 1mj4 h ARG 71 Ca 0.14 -0.30 -0.18 0.00 -1.26 0.00 0.00 59.98 58.38 1mj4 h ARG 71 Cb 0.50 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1mj4 h ARG 71 CO 0.02 0.93 -0.83 1.49 0.56 0.00 0.00 179.97 182.14 1mj4 h GLU 72 N 0.77 0.14 -0.20 0.04 4.57 -1.23 -2.06 114.58 116.60 1mj4 h GLU 72 Ca 0.13 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1mj4 h GLU 72 Cb 0.63 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 1mj4 h GLU 72 CO 0.04 0.89 0.04 1.25 -1.18 0.00 0.00 179.01 180.05 1mj4 h LEU 73 N 0.08 0.02 -0.86 1.64 6.46 -0.81 -2.37 115.31 119.47 1mj4 h LEU 73 Ca -0.03 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1mj4 h LEU 73 Cb 1.44 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.36 1mj4 h LEU 73 CO 0.12 0.04 0.56 0.25 -0.62 0.00 0.00 178.44 178.79 1mj4 h LEU 74 N 0.13 0.95 -2.20 2.25 5.85 -1.21 -1.95 115.31 119.13 1mj4 h LEU 74 Ca 0.09 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1mj4 h LEU 74 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1mj4 h LEU 74 CO -0.12 0.67 0.25 0.00 -0.34 0.00 0.00 178.44 178.90 1mj4 h ALA 75 N 1.34 1.77 0.00 1.25 0.00 -0.84 -0.81 119.26 121.96 1mj4 h ALA 75 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1mj4 h ALA 75 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mj4 h ALA 75 CO -0.10 -0.35 0.00 1.96 0.00 0.00 0.00 179.25 180.76 1mj4 h GLN 76 N 0.00 0.00 -0.41 0.00 1.08 -1.14 -2.52 115.11 112.12 1mj4 h GLN 76 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1mj4 h GLN 76 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1mj4 h GLN 76 CO -0.00 0.00 0.00 0.66 -0.95 0.00 0.00 178.83 178.54 1mj4 n TYR 77 N -2.63 0.53 -1.97 2.96 4.01 -0.31 -4.99 117.16 114.76 1mj4 n TYR 77 Ca 0.00 -0.32 -0.41 0.00 -0.16 0.00 0.00 57.90 57.01 1mj4 n TYR 77 Cb 0.20 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1mj4 n TYR 77 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1mj4 s LYS 78 N -1.23 4.24 -0.00 -0.72 2.20 -0.95 -1.09 119.74 122.19 1mj4 s LYS 78 Ca 0.35 2.36 0.01 0.00 -0.36 0.00 0.00 55.97 58.33 1mj4 s LYS 78 Cb 0.20 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 1mj4 s LYS 78 CO 0.27 -0.44 0.04 0.44 -0.36 0.00 0.00 175.35 175.30 1mj4 n ILE 79 N 2.07 0.00 -1.88 5.43 -5.35 0.06 -4.86 119.36 114.84 1mj4 n ILE 79 Ca 0.06 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1mj4 n ILE 79 Cb 0.40 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1mj4 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mj4 n GLY 80 N 1.60 -0.54 3.14 3.28 0.00 -1.14 -4.67 105.19 106.86 1mj4 n GLY 80 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1mj4 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mj4 s GLU 81 N -1.49 0.81 0.00 1.61 2.02 0.15 -0.80 118.70 120.99 1mj4 s GLU 81 Ca 0.00 -1.35 0.29 0.00 0.02 0.00 0.00 54.97 53.93 1mj4 s GLU 81 Cb 0.00 0.13 1.31 0.00 0.10 0.00 0.00 34.13 35.68 1mj4 s GLU 81 CO 0.00 -0.16 1.89 1.28 0.02 0.00 0.00 175.26 178.29