#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4j s GLN 16 N 0.00 2.03 0.02 0.00 -1.52 -0.10 -4.94 119.66 115.15 1j4j s GLN 16 Ca 0.00 -0.81 -0.25 0.00 -1.95 0.00 0.00 55.36 52.35 1j4j s GLN 16 Cb 0.00 -1.86 -0.05 0.00 -0.22 0.00 0.00 33.01 30.88 1j4j s GLN 16 CO 0.00 0.43 0.76 -1.17 -0.25 0.00 0.00 175.29 175.06 1j4j s LEU 17 N -0.35 4.42 -0.03 2.90 0.20 -1.26 -1.01 118.68 123.55 1j4j s LEU 17 Ca 0.04 1.41 -0.01 0.00 0.69 0.00 0.00 54.13 56.26 1j4j s LEU 17 Cb -0.11 -3.22 0.03 0.00 -0.43 0.00 0.00 46.19 42.46 1j4j s LEU 17 CO 0.01 -0.02 0.07 -0.13 -0.29 0.00 0.00 176.35 175.98 1j4j s ARG 18 N 0.14 0.02 -0.03 1.98 0.52 -0.52 -4.99 118.95 116.08 1j4j s ARG 18 Ca 0.39 0.21 -0.21 0.00 -0.52 0.00 0.00 55.73 55.60 1j4j s ARG 18 Cb -0.20 -0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 1j4j s ARG 18 CO 0.22 -0.12 0.61 0.50 0.02 0.00 0.00 175.30 176.53 1j4j s ARG 19 N 0.82 4.35 -0.12 3.54 3.52 -1.26 -1.40 118.95 128.40 1j4j s ARG 19 Ca -0.07 0.75 -0.23 0.00 -0.13 0.00 0.00 55.73 56.05 1j4j s ARG 19 Cb -0.09 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1j4j s ARG 19 CO -0.03 0.28 0.72 0.08 -0.81 0.00 0.00 175.30 175.54 1j4j s VAL 20 N 0.09 5.00 0.55 7.11 1.01 0.14 -4.97 120.40 129.33 1j4j s VAL 20 Ca 0.32 1.44 0.09 0.00 0.00 0.00 0.00 61.98 63.83 1j4j s VAL 20 Cb -0.18 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.22 1j4j s VAL 20 CO 0.17 0.16 0.67 0.42 0.00 0.00 0.00 175.10 176.52 1j4j s THR 21 N 1.38 2.12 0.19 3.92 -4.23 -1.26 -4.50 115.64 113.26 1j4j s THR 21 Ca 0.36 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 1j4j s THR 21 Cb -0.17 -2.24 0.12 0.00 1.34 0.00 0.00 72.50 71.55 1j4j s THR 21 CO 0.15 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.00 1j4j h ALA 22 N 0.38 0.91 0.00 3.99 0.00 -1.93 -1.10 119.26 121.50 1j4j h ALA 22 Ca -0.33 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1j4j h ALA 22 Cb 1.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1j4j h ALA 22 CO 0.45 0.50 -0.36 0.93 0.00 0.00 0.00 179.25 180.77 1j4j h GLU 23 N 0.99 0.00 0.00 0.00 3.07 -2.00 -3.23 114.58 113.40 1j4j h GLU 23 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1j4j h GLU 23 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1j4j h GLU 23 CO -0.02 0.36 -1.00 -1.13 -1.40 0.00 0.00 179.01 175.82 1j4j n SER 24 N -3.64 0.72 -0.29 1.42 3.41 -1.00 -4.37 113.62 109.87 1j4j n SER 24 Ca -0.01 -0.56 0.10 0.00 -0.26 0.00 0.00 58.87 58.14 1j4j n SER 24 Cb 0.47 0.89 0.24 0.00 -0.26 0.00 0.00 64.21 65.54 1j4j n SER 24 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1j4j h PHE 25 N 0.00 0.13 -0.39 7.33 3.57 -1.23 -0.61 116.94 125.74 1j4j h PHE 25 Ca 0.00 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.67 1j4j h PHE 25 Cb 0.60 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1j4j h PHE 25 CO 0.00 -0.25 0.47 0.00 -2.23 0.00 0.00 178.31 176.30 1j4j h ALA 26 N 1.78 2.07 0.00 2.41 0.00 -1.80 0.19 119.26 123.91 1j4j h ALA 26 Ca 0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.33 1j4j h ALA 26 Cb 0.97 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1j4j h ALA 26 CO -0.70 -0.68 -0.32 0.45 0.00 0.00 0.00 179.25 178.01 1j4j h HIS 27 N 0.00 0.00 -0.00 0.00 3.86 -1.42 -3.33 115.15 114.26 1j4j h HIS 27 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1j4j h HIS 27 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1j4j h HIS 27 CO 0.00 0.32 -0.00 0.66 0.86 0.00 0.00 177.93 179.76 1j4j n TYR 28 N -3.68 0.00 -0.08 2.45 4.02 0.62 -4.80 117.16 115.70 1j4j n TYR 28 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 1j4j n TYR 28 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 1j4j n TYR 28 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1j4j h ARG 29 N 0.64 -0.28 -0.73 -0.72 2.43 -1.55 -0.77 114.38 113.40 1j4j h ARG 29 Ca 0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1j4j h ARG 29 Cb 0.14 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1j4j h ARG 29 CO 0.00 -0.19 0.25 1.25 -1.51 0.00 0.00 179.97 179.77 1j4j h HIS 30 N -0.29 1.16 -0.46 2.20 2.76 -1.87 -1.84 115.15 116.81 1j4j h HIS 30 Ca 0.15 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1j4j h HIS 30 Cb 0.53 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 1j4j h HIS 30 CO -0.49 0.91 0.11 0.78 -1.30 0.00 0.00 177.93 177.94 1j4j h GLY 31 N 1.08 0.74 0.82 5.26 0.00 -1.71 -1.62 103.07 107.64 1j4j h GLY 31 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1j4j h GLY 31 CO -0.01 0.38 -0.11 -2.00 0.00 0.00 0.00 176.54 174.80 1j4j h LEU 32 N 0.67 0.47 -0.59 3.11 5.85 -0.91 -1.25 115.31 122.66 1j4j h LEU 32 Ca 0.15 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1j4j h LEU 32 Cb 0.26 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1j4j h LEU 32 CO -0.00 0.79 0.29 0.00 -0.34 0.00 0.00 178.44 179.17 1j4j h ALA 33 N 0.70 0.77 -0.64 1.25 0.00 -1.14 -1.23 119.26 118.97 1j4j h ALA 33 Ca 0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1j4j h ALA 33 Cb 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1j4j h ALA 33 CO 0.03 -0.07 0.08 0.37 0.00 0.00 0.00 179.25 179.66 1j4j h GLN 34 N 0.54 1.07 -0.46 0.00 4.15 -1.20 -0.18 115.11 119.03 1j4j h GLN 34 Ca 0.27 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1j4j h GLN 34 Cb 0.21 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1j4j h GLN 34 CO -0.20 1.00 0.25 1.25 -1.93 0.00 0.00 178.83 179.20 1j4j h LEU 35 N 0.99 0.58 -0.06 -2.39 5.85 -0.54 0.30 115.31 120.04 1j4j h LEU 35 Ca 0.19 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1j4j h LEU 35 Cb 0.47 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1j4j h LEU 35 CO 0.02 0.50 0.02 0.25 -0.34 0.00 0.00 178.44 178.89 1j4j h LEU 36 N 0.61 0.08 0.01 2.25 5.85 -1.05 0.15 115.31 123.21 1j4j h LEU 36 Ca 0.16 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1j4j h LEU 36 Cb 0.05 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1j4j h LEU 36 CO -0.03 0.22 -0.32 0.15 -0.34 0.00 0.00 178.44 178.12 1j4j h PHE 37 N -0.06 -0.88 -0.59 1.25 3.57 -0.75 -0.27 116.94 119.21 1j4j h PHE 37 Ca 0.02 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1j4j h PHE 37 Cb 0.16 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1j4j h PHE 37 CO -0.02 -0.41 0.37 0.93 -2.23 0.00 0.00 178.31 176.95 1j4j h GLU 38 N -0.48 0.72 -0.27 1.11 4.39 -0.28 -2.44 114.58 117.32 1j4j h GLU 38 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1j4j h GLU 38 Cb 0.56 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1j4j h GLU 38 CO -0.26 0.48 0.13 1.15 -1.16 0.00 0.00 179.01 179.34 1j4j h THR 39 N 0.74 1.15 0.18 1.13 2.02 -0.52 0.27 112.91 117.88 1j4j h THR 39 Ca 0.23 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1j4j h THR 39 Cb -0.01 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1j4j h THR 39 CO -0.08 0.16 -0.08 0.58 0.37 0.00 0.00 175.52 176.46 1j4j h VAL 40 N 0.31 0.87 0.00 3.16 2.07 -1.02 -2.42 116.25 119.21 1j4j h VAL 40 Ca 0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1j4j h VAL 40 Cb 0.13 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1j4j h VAL 40 CO -0.01 0.05 0.00 1.41 0.02 0.00 0.00 177.57 179.04 1j4j n HIS 41 N -5.15 0.00 1.58 1.57 -0.00 -0.93 -0.02 115.22 112.27 1j4j n HIS 41 Ca -0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.77 1j4j n HIS 41 Cb 0.15 -0.49 0.59 0.00 -0.00 0.00 0.00 29.99 30.24 1j4j n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1j4j n GLY 42 N -0.00 -0.18 0.40 -1.41 0.00 0.08 -4.92 105.19 99.16 1j4j n GLY 42 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1j4j n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4j n GLY 43 N 1.13 0.73 3.90 -0.02 0.00 0.97 -5.06 105.19 106.84 1j4j n GLY 43 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1j4j n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4j s ALA 44 N -2.18 3.29 -0.48 4.61 0.00 -0.95 -4.65 121.76 121.40 1j4j s ALA 44 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 1j4j s ALA 44 Cb 0.00 -2.73 0.09 0.00 0.00 0.00 0.00 23.12 20.47 1j4j s ALA 44 CO 0.00 -0.54 0.39 0.45 0.00 0.00 0.00 175.76 176.06 1j4j s SER 45 N -4.17 6.05 -0.07 0.00 0.15 -1.26 -4.45 113.70 109.95 1j4j s SER 45 Ca 0.51 -1.48 0.25 0.00 0.70 0.00 0.00 55.95 55.93 1j4j s SER 45 Cb -0.11 -2.15 0.45 0.00 -1.71 0.00 0.00 66.02 62.51 1j4j s SER 45 CO 0.48 -0.67 1.15 1.33 1.20 0.00 0.00 173.24 176.73 1j4j n VAL 46 N 5.15 0.35 0.00 4.45 0.24 -1.26 -4.81 118.33 122.46 1j4j n VAL 46 Ca -0.12 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 60.65 1j4j n VAL 46 Cb 0.43 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1j4j n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j4j n GLY 47 N 0.19 1.89 0.00 7.63 0.00 -1.26 -5.01 105.19 108.63 1j4j n GLY 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1j4j n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j4j n PHE 48 N -1.49 0.00 0.71 1.61 3.01 -1.26 -5.16 117.46 114.88 1j4j n PHE 48 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1j4j n PHE 48 Cb 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.74 1j4j n PHE 48 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j4j n ALA 50 N -3.00 2.90 1.00 4.37 0.00 -0.96 -4.33 120.51 120.49 1j4j n ALA 50 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1j4j n ALA 50 Cb 0.00 -1.23 0.59 0.00 0.00 0.00 0.00 19.45 18.81 1j4j n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j4j n ASP 51 N -1.94 0.00 -4.62 0.00 5.75 -1.26 -4.92 116.55 109.56 1j4j n ASP 51 Ca 0.04 0.37 -0.57 0.00 -0.01 0.00 0.00 54.79 54.62 1j4j n ASP 51 Cb 0.41 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 39.97 1j4j n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1j4j n LEU 52 N -1.45 1.39 0.00 -2.12 7.94 -1.26 -5.08 117.00 116.41 1j4j n LEU 52 Ca 0.08 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 1j4j n LEU 52 Cb 0.29 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.17 1j4j n LEU 52 CO 0.24 -1.07 0.00 -0.90 -1.11 0.00 0.00 177.39 174.55 1j4j n ASP 53 N 3.18 0.00 0.00 1.96 5.68 -1.26 -5.03 116.55 121.08 1j4j n ASP 53 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1j4j n ASP 53 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1j4j n ASP 53 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1j4j n GLN 55 N 0.00 0.00 -0.27 0.11 7.27 -1.26 -1.34 117.38 121.89 1j4j n GLN 55 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1j4j n GLN 55 Cb 0.00 0.00 0.13 0.00 2.41 0.00 0.00 30.24 32.78 1j4j n GLN 55 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1j4j h GLN 56 N 0.00 1.13 -0.52 3.69 4.20 -1.98 -0.87 115.11 120.77 1j4j h GLN 56 Ca 0.00 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1j4j h GLN 56 Cb 0.00 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1j4j h GLN 56 CO 0.00 0.86 0.06 0.00 -0.67 0.00 0.00 178.83 179.08 1j4j h ALA 57 N 1.31 0.69 -0.68 3.87 0.00 -1.55 -1.68 119.26 121.23 1j4j h ALA 57 Ca 0.28 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1j4j h ALA 57 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1j4j h ALA 57 CO -0.04 0.46 0.24 1.88 0.00 0.00 0.00 179.25 181.78 1j4j h TYR 58 N 0.76 1.06 -0.82 0.00 0.99 -1.75 -1.98 116.97 115.21 1j4j h TYR 58 Ca 0.15 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1j4j h TYR 58 Cb 0.44 -0.31 -0.04 0.00 1.00 0.00 0.00 36.73 37.82 1j4j h TYR 58 CO 0.03 0.83 0.41 0.00 -0.00 0.00 0.00 178.16 179.43 1j4j h ALA 59 N 1.25 1.17 -0.50 3.88 0.00 -0.81 -1.34 119.26 122.90 1j4j h ALA 59 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1j4j h ALA 59 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1j4j h ALA 59 CO -0.01 0.64 0.04 2.35 0.00 0.00 0.00 179.25 182.27 1j4j h TRP 60 N 1.17 0.92 -0.35 0.00 7.01 -0.68 -1.81 115.95 122.22 1j4j h TRP 60 Ca 0.29 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1j4j h TRP 60 Cb 0.09 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 1j4j h TRP 60 CO 0.01 0.85 0.23 0.00 -2.79 0.00 0.00 178.44 176.74 1j4j h ASP 62 N 0.46 0.14 0.47 0.00 3.32 -1.16 -1.61 116.42 118.04 1j4j h ASP 62 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1j4j h ASP 62 Cb -0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1j4j h ASP 62 CO -0.03 0.28 0.00 1.23 -1.72 0.00 0.00 179.24 179.00 1j4j h GLY 63 N 0.62 0.00 1.31 2.75 0.00 -0.85 -2.79 103.07 104.10 1j4j h GLY 63 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1j4j h GLY 63 CO 0.02 0.00 -1.02 1.41 0.00 0.00 0.00 176.54 176.95 1j4j h LEU 64 N 0.00 0.00 -0.40 3.11 3.38 -1.20 -3.41 115.31 116.79 1j4j h LEU 64 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1j4j h LEU 64 Cb 0.24 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1j4j h LEU 64 CO 0.00 0.42 -0.04 0.11 0.09 0.00 0.00 178.44 179.02 1j4j h LYS 65 N 0.00 0.06 -0.69 1.13 1.57 -1.56 -2.07 116.57 115.02 1j4j h LYS 65 Ca -0.08 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1j4j h LYS 65 Cb 1.39 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1j4j h LYS 65 CO 0.04 0.04 0.19 0.00 -0.57 0.00 0.00 179.45 179.15 1j4j h ALA 66 N 1.37 1.04 0.00 3.86 0.00 -1.79 0.13 119.26 123.87 1j4j h ALA 66 Ca 0.20 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1j4j h ALA 66 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1j4j h ALA 66 CO -0.36 0.64 -0.57 -0.44 0.00 0.00 0.00 179.25 178.52 1j4j h ASP 67 N 1.03 0.00 -0.18 0.00 3.32 -1.81 0.19 116.42 118.97 1j4j h ASP 67 Ca 0.22 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1j4j h ASP 67 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1j4j h ASP 67 CO -0.00 0.57 -0.15 0.40 -1.72 0.00 0.00 179.24 178.33 1j4j h ILE 68 N 0.00 1.33 -0.91 0.35 2.04 -1.03 -1.42 117.51 117.87 1j4j h ILE 68 Ca -0.01 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.57 1j4j h ILE 68 Cb 1.13 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 1j4j h ILE 68 CO 0.07 0.39 0.59 0.00 0.00 0.00 0.00 178.15 179.20 1j4j h ALA 69 N 0.65 1.16 0.00 1.87 0.00 -0.27 -1.26 119.26 121.40 1j4j h ALA 69 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j4j h ALA 69 Cb 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j4j h ALA 69 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1j4j h ALA 70 N 1.32 1.00 0.00 0.00 0.00 -0.54 -3.47 119.26 117.58 1j4j h ALA 70 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1j4j h ALA 70 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1j4j h ALA 70 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1j4j n GLY 71 N 0.36 0.75 0.08 0.00 0.00 -0.48 -4.93 105.19 100.98 1j4j n GLY 71 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1j4j n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j4j h SER 72 N 0.00 0.00 -3.33 1.61 4.64 -1.55 -3.45 113.55 111.47 1j4j h SER 72 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1j4j h SER 72 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 1j4j h SER 72 CO 0.00 0.87 -0.70 -0.22 -0.87 0.00 0.00 176.83 175.91 1j4j s LEU 73 N -6.22 3.07 -0.12 5.97 2.96 -0.63 -1.47 118.68 122.24 1j4j s LEU 73 Ca -0.02 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1j4j s LEU 73 Cb 0.09 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1j4j s LEU 73 CO 0.81 0.18 -0.03 -0.76 -1.32 0.00 0.00 176.35 175.23 1j4j s LEU 74 N 0.27 3.32 -0.02 -0.68 1.02 0.07 -4.09 118.68 118.58 1j4j s LEU 74 Ca -0.05 -0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.10 1j4j s LEU 74 Cb -0.15 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 1j4j s LEU 74 CO 0.04 0.26 -0.15 -0.22 0.02 0.00 0.00 176.35 176.30 1j4j s LEU 75 N -0.19 2.00 0.03 1.79 2.96 -1.26 -1.11 118.68 122.90 1j4j s LEU 75 Ca 0.04 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1j4j s LEU 75 Cb -0.13 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1j4j s LEU 75 CO 0.02 0.17 -0.08 0.26 -1.32 0.00 0.00 176.35 175.41 1j4j s TRP 76 N -0.26 0.68 0.15 5.38 0.51 -0.83 0.24 118.94 124.81 1j4j s TRP 76 Ca 0.04 -0.41 0.04 0.00 -2.12 0.00 0.00 56.10 53.66 1j4j s TRP 76 Cb -0.07 -0.41 -0.04 0.00 -0.81 0.00 0.00 33.47 32.14 1j4j s TRP 76 CO -0.00 -0.06 -0.10 0.14 -0.51 0.00 0.00 176.95 176.42 1j4j s VAL 77 N -1.09 1.16 -0.21 4.03 -7.23 -0.49 -1.73 120.40 114.84 1j4j s VAL 77 Ca -0.07 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1j4j s VAL 77 Cb -0.08 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1j4j s VAL 77 CO 0.00 -0.75 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.25 1j4j s VAL 78 N -3.33 2.81 0.04 1.32 1.01 0.31 -1.44 120.40 121.12 1j4j s VAL 78 Ca 0.17 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1j4j s VAL 78 Cb 0.03 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1j4j s VAL 78 CO 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 175.42 1j4j s ALA 79 N 1.39 2.83 -0.14 5.51 0.00 -0.18 -0.95 121.76 130.21 1j4j s ALA 79 Ca 0.05 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 1j4j s ALA 79 Cb -0.14 -0.92 0.06 0.00 0.00 0.00 0.00 23.12 22.12 1j4j s ALA 79 CO -0.07 0.60 0.33 -2.00 0.00 0.00 0.00 175.76 174.62 1j4j s GLU 80 N -1.58 0.27 3.80 0.00 -6.30 -0.39 -0.92 118.70 113.58 1j4j s GLU 80 Ca 0.17 0.73 0.00 0.00 -2.50 0.00 0.00 54.97 53.37 1j4j s GLU 80 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 34.13 34.01 1j4j s GLU 80 CO 0.08 -0.20 0.00 -3.47 0.02 0.00 0.00 175.26 171.69 1j4j n ASP 81 N 4.64 0.00 -1.04 -1.70 4.64 -1.26 0.90 116.55 122.73 1j4j n ASP 81 Ca -0.18 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.26 1j4j n ASP 81 Cb 0.53 0.00 0.18 0.00 -1.04 0.00 0.00 41.12 40.79 1j4j n ASP 81 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1j4j n ASP 82 N 1.11 2.92 -4.78 1.67 5.68 -1.26 -4.94 116.55 116.94 1j4j n ASP 82 Ca 0.00 -2.34 -0.26 0.00 -0.50 0.00 0.00 54.79 51.69 1j4j n ASP 82 Cb 0.00 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.42 1j4j n ASP 82 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1j4j s ASN 83 N -0.51 5.41 -0.33 -1.12 0.01 0.26 -4.93 114.94 113.73 1j4j s ASN 83 Ca 0.25 -0.17 -0.02 0.00 -0.71 0.00 0.00 52.86 52.21 1j4j s ASN 83 Cb 0.18 -1.38 0.07 0.00 0.41 0.00 0.00 41.25 40.52 1j4j s ASN 83 CO 0.09 0.07 0.06 -0.69 -1.51 0.00 0.00 177.10 175.12 1j4j s VAL 84 N -1.75 3.09 -0.14 1.60 1.01 -1.26 -1.26 120.40 121.69 1j4j s VAL 84 Ca 0.30 -1.57 0.16 0.00 0.00 0.00 0.00 61.98 60.87 1j4j s VAL 84 Cb -0.10 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1j4j s VAL 84 CO 0.23 -0.27 1.19 -0.07 0.00 0.00 0.00 175.10 176.17 1j4j h LEU 85 N 8.01 0.00 -7.44 3.92 3.38 -1.41 -3.45 115.31 118.32 1j4j h LEU 85 Ca -0.19 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.90 1j4j h LEU 85 Cb 1.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1j4j h LEU 85 CO 0.58 0.53 0.42 0.00 0.09 0.00 0.00 178.44 180.05 1j4j s ALA 86 N -2.95 -1.63 0.18 1.53 0.00 -1.22 -0.52 121.76 117.14 1j4j s ALA 86 Ca 0.01 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 1j4j s ALA 86 Cb 0.08 0.64 0.06 0.00 0.00 0.00 0.00 23.12 23.90 1j4j s ALA 86 CO 0.77 -0.91 0.60 0.45 0.00 0.00 0.00 175.76 176.68 1j4j s SER 87 N -2.78 -0.50 0.13 0.00 0.15 -1.26 -0.53 113.70 108.90 1j4j s SER 87 Ca 0.09 -0.11 -0.21 0.00 0.70 0.00 0.00 55.95 56.41 1j4j s SER 87 Cb -0.02 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1j4j s SER 87 CO -0.02 -1.02 0.54 0.00 1.20 0.00 0.00 173.24 173.94 1j4j s ALA 88 N -3.78 -1.39 0.03 5.45 0.00 -0.71 -4.14 121.76 117.23 1j4j s ALA 88 Ca 0.03 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1j4j s ALA 88 Cb -0.02 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1j4j s ALA 88 CO -0.10 -0.70 -0.06 -0.65 0.00 0.00 0.00 175.76 174.26 1j4j s GLN 89 N -3.56 0.43 -0.21 0.00 -0.21 -0.36 -1.97 119.66 113.78 1j4j s GLN 89 Ca 0.01 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.77 1j4j s GLN 89 Cb -0.00 -0.19 0.05 0.00 1.00 0.00 0.00 33.01 33.87 1j4j s GLN 89 CO -0.11 0.03 -0.05 -1.17 -2.12 0.00 0.00 175.29 171.87 1j4j s LEU 90 N -1.29 2.21 -0.60 2.90 2.96 -0.27 -1.13 118.68 123.47 1j4j s LEU 90 Ca -0.10 -1.02 -0.21 0.00 -0.22 0.00 0.00 54.13 52.59 1j4j s LEU 90 Cb -0.09 -1.07 0.08 0.00 0.50 0.00 0.00 46.19 45.61 1j4j s LEU 90 CO -0.00 -0.22 0.80 -0.55 -1.32 0.00 0.00 176.35 175.06 1j4j s SER 91 N 1.49 6.20 -0.05 3.68 0.15 -0.17 -0.75 113.70 124.25 1j4j s SER 91 Ca -0.04 -1.08 -0.30 0.00 0.70 0.00 0.00 55.95 55.23 1j4j s SER 91 Cb -0.18 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1j4j s SER 91 CO -0.07 -1.20 1.29 -0.76 1.20 0.00 0.00 173.24 173.70 1j4j s LEU 92 N 3.28 4.28 0.36 3.45 1.43 -0.54 -1.60 118.68 129.35 1j4j s LEU 92 Ca 0.18 1.92 -0.27 0.00 -1.03 0.00 0.00 54.13 54.92 1j4j s LEU 92 Cb -0.20 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1j4j s LEU 92 CO 0.10 -0.66 1.25 0.00 0.23 0.00 0.00 176.35 177.27 1j4j n GLN 94 N 0.47 2.17 -2.22 0.00 1.13 -1.26 -4.53 117.38 113.14 1j4j n GLN 94 Ca 0.02 -1.56 -0.41 0.00 -1.94 0.00 0.00 57.00 53.11 1j4j n GLN 94 Cb 0.44 -1.14 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 1j4j n GLN 94 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1j4j s LYS 95 N -0.88 4.42 0.50 -1.09 1.02 -1.26 -4.88 119.74 117.57 1j4j s LYS 95 Ca 0.11 2.08 0.33 0.00 0.02 0.00 0.00 55.97 58.51 1j4j s LYS 95 Cb 0.06 -3.14 1.46 0.00 -0.52 0.00 0.00 37.83 35.69 1j4j s LYS 95 CO 0.08 -0.15 1.74 -1.35 -0.92 0.00 0.00 175.35 174.75 1j4j h PRO 96 N 4.33 0.10 -0.47 -1.68 0.11 -2.05 0.17 132.00 132.51 1j4j h PRO 96 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1j4j h PRO 96 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j4j h PRO 96 CO 0.71 0.07 0.00 0.27 -0.21 0.00 0.00 178.00 178.83 1j4j n ASN 97 N -4.33 4.45 -0.15 -2.05 2.04 -1.26 -4.51 115.26 109.45 1j4j n ASN 97 Ca 0.30 -2.67 0.08 0.00 -0.44 0.00 0.00 54.58 51.85 1j4j n ASN 97 Cb 1.30 -0.54 0.13 0.00 -2.53 0.00 0.00 39.78 38.13 1j4j n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j4j n GLY 98 N 0.42 4.43 0.00 4.83 0.00 0.61 -4.78 105.19 110.69 1j4j n GLY 98 Ca 0.23 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.37 1j4j n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j4j n LEU 99 N -1.15 0.00 -0.03 0.99 4.77 -1.25 -1.70 117.00 118.64 1j4j n LEU 99 Ca 0.14 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1j4j n LEU 99 Cb 0.59 -0.48 0.32 0.00 -2.33 0.00 0.00 43.42 41.52 1j4j n LEU 99 CO 0.02 -0.37 0.56 -3.20 -1.33 0.00 0.00 177.39 173.07 1j4j n ASN 100 N -1.48 0.49 -4.52 -1.43 2.85 -1.26 -4.50 115.26 105.40 1j4j n ASN 100 Ca 0.02 -0.23 -0.25 0.00 -0.11 0.00 0.00 54.58 54.01 1j4j n ASN 100 Cb 0.08 0.13 -0.11 0.00 1.24 0.00 0.00 39.78 41.12 1j4j n ASN 100 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j4j s ARG 101 N -2.93 1.77 -0.11 1.20 1.70 -0.69 0.15 118.95 120.04 1j4j s ARG 101 Ca 0.13 -1.92 -0.29 0.00 -0.47 0.00 0.00 55.73 53.19 1j4j s ARG 101 Cb 0.18 -1.57 0.07 0.00 -0.57 0.00 0.00 34.95 33.06 1j4j s ARG 101 CO 0.65 0.10 0.69 0.00 -1.08 0.00 0.00 175.30 175.66 1j4j s ALA 102 N -2.72 -1.76 -0.17 7.88 0.00 -0.82 -2.46 121.76 121.72 1j4j s ALA 102 Ca 0.32 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.74 1j4j s ALA 102 Cb 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1j4j s ALA 102 CO 0.16 -0.36 0.03 -2.00 0.00 0.00 0.00 175.76 173.59 1j4j s GLU 103 N -0.73 3.81 0.09 0.00 2.12 -0.63 -2.14 118.70 121.22 1j4j s GLU 103 Ca -0.08 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 54.62 1j4j s GLU 103 Cb -0.02 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 1j4j s GLU 103 CO 0.07 0.32 0.76 0.08 -0.54 0.00 0.00 175.26 175.95 1j4j s VAL 104 N 0.21 4.60 0.12 3.70 1.01 -0.61 -1.00 120.40 128.43 1j4j s VAL 104 Ca 0.02 1.63 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1j4j s VAL 104 Cb -0.13 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.19 1j4j s VAL 104 CO 0.01 0.43 0.47 0.00 0.00 0.00 0.00 175.10 176.01 1j4j s GLN 105 N -0.51 1.11 -1.48 2.72 -2.07 -0.28 -4.63 119.66 114.53 1j4j s GLN 105 Ca 0.37 -0.56 -0.12 0.00 -1.82 0.00 0.00 55.36 53.23 1j4j s GLN 105 Cb -0.21 0.50 0.06 0.00 -1.09 0.00 0.00 33.01 32.26 1j4j s GLN 105 CO 0.24 -0.44 0.97 1.63 -1.32 0.00 0.00 175.29 176.37 1j4j n LYS 106 N -0.14 -5.97 -2.44 9.60 4.76 -1.26 -1.22 118.16 121.49 1j4j n LYS 106 Ca -0.17 0.68 -0.32 0.00 -2.87 0.00 0.00 58.31 55.63 1j4j n LYS 106 Cb 0.63 -5.60 -0.04 0.00 -1.84 0.00 0.00 35.03 28.19 1j4j n LYS 106 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1j4j s LEU 107 N -7.19 3.67 -0.29 -0.35 2.96 -1.26 -3.86 118.68 112.35 1j4j s LEU 107 Ca 0.60 1.61 -0.22 0.00 -0.22 0.00 0.00 54.13 55.91 1j4j s LEU 107 Cb -0.29 -4.52 0.17 0.00 0.50 0.00 0.00 46.19 42.05 1j4j s LEU 107 CO 0.74 -0.59 1.21 -0.69 -1.32 0.00 0.00 176.35 175.70 1j4j s VAL 109 N -2.53 0.00 0.41 1.68 1.01 -1.26 -4.99 120.40 114.72 1j4j s VAL 109 Ca 0.60 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1j4j s VAL 109 Cb -0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1j4j s VAL 109 CO 0.29 0.00 1.24 0.18 0.00 0.00 0.00 175.10 176.81 1j4j n LEU 110 N 2.42 3.83 -0.22 3.92 4.77 0.32 -4.80 117.00 127.24 1j4j n LEU 110 Ca -0.14 1.11 0.02 0.00 -0.03 0.00 0.00 56.01 56.98 1j4j n LEU 110 Cb 0.57 -1.48 0.13 0.00 -2.33 0.00 0.00 43.42 40.30 1j4j n LEU 110 CO 0.03 -0.72 0.90 -0.65 -1.33 0.00 0.00 177.39 175.61 1j4j h PRO 111 N 2.07 0.21 0.00 3.23 0.11 -1.91 0.16 132.00 135.87 1j4j h PRO 111 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j4j h PRO 111 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1j4j h PRO 111 CO 0.60 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 1j4j n SER 112 N -5.18 0.00 -0.09 -2.05 3.41 -1.26 -2.92 113.62 105.53 1j4j n SER 112 Ca 0.11 0.17 0.03 0.00 -0.26 0.00 0.00 58.87 58.91 1j4j n SER 112 Cb 0.38 -0.32 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1j4j n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j4j n ALA 113 N -1.32 2.09 -1.80 7.33 0.00 0.54 -5.05 120.51 122.31 1j4j n ALA 113 Ca 0.05 -1.35 -0.31 0.00 0.00 0.00 0.00 53.44 51.84 1j4j n ALA 113 Cb 0.10 -0.13 0.02 0.00 0.00 0.00 0.00 19.45 19.45 1j4j n ALA 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j4j s ARG 114 N -1.39 3.41 -1.08 0.00 0.52 -1.02 -4.12 118.95 115.26 1j4j s ARG 114 Ca 0.09 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 1j4j s ARG 114 Cb 0.07 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1j4j s ARG 114 CO 0.02 -0.71 0.00 0.41 0.02 0.00 0.00 175.30 175.04 1j4j n GLY 115 N -2.57 0.76 0.37 -3.53 0.00 -1.26 -4.89 105.19 94.08 1j4j n GLY 115 Ca 0.06 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1j4j n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4j n ARG 116 N -2.46 0.63 -0.49 1.61 1.74 -1.26 -4.99 116.66 111.44 1j4j n ARG 116 Ca -0.12 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1j4j n ARG 116 Cb 0.44 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1j4j n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j4j n GLY 117 N 0.46 0.75 0.19 -0.13 0.00 -1.26 -4.96 105.19 100.24 1j4j n GLY 117 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1j4j n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4j h LEU 118 N 0.00 0.65 -0.75 0.99 3.38 -1.94 -1.37 115.31 116.28 1j4j h LEU 118 Ca 0.00 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.56 1j4j h LEU 118 Cb 0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1j4j h LEU 118 CO 0.00 0.96 0.47 1.23 0.09 0.00 0.00 178.44 181.18 1j4j h GLY 119 N 0.35 1.08 0.99 0.83 0.00 -1.94 -0.28 103.07 104.11 1j4j h GLY 119 Ca 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1j4j h GLY 119 CO 0.05 0.29 0.30 -0.09 0.00 0.00 0.00 176.54 177.09 1j4j h ARG 120 N 0.90 0.87 -0.61 4.80 2.43 -1.95 -2.83 114.38 117.99 1j4j h ARG 120 Ca 0.30 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1j4j h ARG 120 Cb 0.04 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1j4j h ARG 120 CO -0.12 0.70 0.39 0.37 -1.51 0.00 0.00 179.97 179.80 1j4j h GLN 121 N 0.83 0.81 -0.14 0.20 4.15 -0.56 -0.42 115.11 119.98 1j4j h GLN 121 Ca 0.21 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1j4j h GLN 121 Cb 0.11 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1j4j h GLN 121 CO -0.03 0.54 0.00 1.28 -1.93 0.00 0.00 178.83 178.70 1j4j n LEU 122 N -4.65 0.09 0.00 -2.39 4.77 -0.18 -1.71 117.00 112.93 1j4j n LEU 122 Ca 0.04 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1j4j n LEU 122 Cb 0.03 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1j4j n LEU 122 CO 0.36 0.02 0.00 0.47 -1.33 0.00 0.00 177.39 176.91 1j4j n ASP 124 N 0.47 0.00 0.02 -1.43 8.00 -0.17 -0.58 116.55 122.86 1j4j n ASP 124 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1j4j n ASP 124 Cb 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 1j4j n ASP 124 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1j4j h GLU 125 N 0.00 0.63 -0.82 -1.24 4.57 -1.58 -2.85 114.58 113.28 1j4j h GLU 125 Ca 0.00 -0.56 0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1j4j h GLU 125 Cb 0.00 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1j4j h GLU 125 CO 0.00 1.18 0.52 0.28 -1.18 0.00 0.00 179.01 179.81 1j4j h VAL 126 N 0.41 1.08 -0.48 0.32 2.07 -1.11 -1.56 116.25 116.98 1j4j h VAL 126 Ca -0.07 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1j4j h VAL 126 Cb 1.46 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1j4j h VAL 126 CO 0.16 0.18 -0.07 -0.33 0.02 0.00 0.00 177.57 177.53 1j4j h GLU 127 N 0.98 0.84 0.03 1.57 5.08 -1.82 -1.27 114.58 119.99 1j4j h GLU 127 Ca 0.34 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1j4j h GLU 127 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1j4j h GLU 127 CO -0.14 0.89 -0.07 1.96 -1.00 0.00 0.00 179.01 180.65 1j4j h GLN 128 N 0.77 -0.13 -0.32 2.33 4.20 -1.15 -2.04 115.11 118.77 1j4j h GLN 128 Ca 0.13 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1j4j h GLN 128 Cb 0.56 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1j4j h GLN 128 CO 0.03 -0.08 -0.27 0.28 -0.67 0.00 0.00 178.83 178.12 1j4j h VAL 129 N -0.13 1.28 -0.88 -0.54 2.07 -1.23 -2.86 116.25 113.95 1j4j h VAL 129 Ca 0.02 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.20 1j4j h VAL 129 Cb 0.15 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1j4j h VAL 129 CO -0.04 0.45 0.58 0.00 0.02 0.00 0.00 177.57 178.57 1j4j h ALA 130 N 1.13 1.45 -0.22 1.67 0.00 -1.01 -1.21 119.26 121.08 1j4j h ALA 130 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j4j h ALA 130 Cb 0.76 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j4j h ALA 130 CO 0.06 0.46 0.10 0.28 0.00 0.00 0.00 179.25 180.15 1j4j h VAL 131 N 1.09 1.15 -0.20 0.00 2.07 -1.16 -0.22 116.25 118.99 1j4j h VAL 131 Ca 0.35 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1j4j h VAL 131 Cb 0.03 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1j4j h VAL 131 CO -0.11 0.15 0.16 0.11 0.02 0.00 0.00 177.57 177.91 1j4j h LYS 132 N 0.21 0.00 -0.64 1.57 1.57 -1.16 0.28 116.57 118.41 1j4j h LYS 132 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1j4j h LYS 132 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1j4j h LYS 132 CO -0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 1j4j n HIS 133 N -4.25 1.20 -3.67 -1.35 8.25 -0.54 -4.92 115.22 109.93 1j4j n HIS 133 Ca 0.02 -0.45 -0.24 0.00 -0.26 0.00 0.00 57.72 56.79 1j4j n HIS 133 Cb 0.30 -0.26 0.06 0.00 1.12 0.00 0.00 29.99 31.21 1j4j n HIS 133 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j4j n LYS 134 N 0.64 -6.58 -3.70 -0.41 5.02 1.00 -4.98 118.16 109.15 1j4j n LYS 134 Ca 0.19 0.74 -0.38 0.00 -2.02 0.00 0.00 58.31 56.84 1j4j n LYS 134 Cb 0.75 -5.66 -0.12 0.00 -0.02 0.00 0.00 35.03 29.98 1j4j n LYS 134 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j4j s ARG 135 N -6.17 3.49 0.10 1.97 1.81 -0.17 -4.44 118.95 115.54 1j4j s ARG 135 Ca 0.41 -0.60 0.24 0.00 -1.72 0.00 0.00 55.73 54.05 1j4j s ARG 135 Cb -0.19 -3.45 0.21 0.00 -0.45 0.00 0.00 34.95 31.06 1j4j s ARG 135 CO 0.77 -0.31 1.18 0.41 -0.68 0.00 0.00 175.30 176.68 1j4j n GLY 136 N 4.95 -1.34 3.07 -3.53 0.00 0.12 -4.30 105.19 104.17 1j4j n GLY 136 Ca -0.15 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1j4j n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4j s LEU 137 N -4.18 1.74 -0.14 0.99 2.96 -0.64 -0.12 118.68 119.29 1j4j s LEU 137 Ca 0.05 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1j4j s LEU 137 Cb 0.14 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 1j4j s LEU 137 CO 0.76 0.03 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.93 1j4j s LEU 138 N 0.87 2.67 0.15 -0.68 1.43 -0.43 -1.94 118.68 120.75 1j4j s LEU 138 Ca -0.09 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1j4j s LEU 138 Cb -0.15 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1j4j s LEU 138 CO 0.00 0.13 -0.11 -1.38 0.23 0.00 0.00 176.35 175.23 1j4j s HIS 139 N 0.56 1.29 0.27 0.29 -3.43 -0.91 -1.16 115.29 112.20 1j4j s HIS 139 Ca -0.08 -0.74 -0.20 0.00 -0.80 0.00 0.00 55.06 53.24 1j4j s HIS 139 Cb -0.16 -0.65 0.05 0.00 -1.43 0.00 0.00 32.58 30.39 1j4j s HIS 139 CO 0.04 0.10 0.84 -0.48 -2.00 0.00 0.00 174.74 173.23 1j4j s LEU 140 N -3.13 -0.13 0.03 5.38 0.05 -0.54 -1.58 118.68 118.76 1j4j s LEU 140 Ca 0.16 -0.74 0.01 0.00 0.05 0.00 0.00 54.13 53.61 1j4j s LEU 140 Cb 0.02 2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 46.70 1j4j s LEU 140 CO 0.01 -1.31 -0.05 1.51 -0.55 0.00 0.00 176.35 175.96 1j4j s ASP 141 N -3.04 0.45 0.01 1.48 -4.77 -1.26 -1.34 116.67 108.20 1j4j s ASP 141 Ca 0.14 -0.47 -0.20 0.00 -3.30 0.00 0.00 52.55 48.72 1j4j s ASP 141 Cb -0.04 0.07 0.04 0.00 -1.09 0.00 0.00 42.92 41.89 1j4j s ASP 141 CO 0.07 -0.23 0.45 0.28 0.70 0.00 0.00 175.17 176.43 1j4j s THR 142 N -1.28 0.04 -0.06 2.11 -1.32 -0.47 -4.93 115.64 109.73 1j4j s THR 142 Ca -0.12 -0.35 -0.39 0.00 -1.21 0.00 0.00 61.69 59.62 1j4j s THR 142 Cb -0.09 -0.87 -0.17 0.00 -1.51 0.00 0.00 72.50 69.86 1j4j s THR 142 CO -0.00 -0.19 1.44 1.21 -2.21 0.00 0.00 174.62 174.86 1j4j n GLU 143 N 0.79 0.95 -2.15 7.08 2.13 -1.26 -0.00 120.64 128.18 1j4j n GLU 143 Ca -0.19 0.35 -0.39 0.00 0.66 0.00 0.00 57.16 57.59 1j4j n GLU 143 Cb 0.58 -1.98 -0.01 0.00 0.27 0.00 0.00 31.44 30.31 1j4j n GLU 143 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1j4j s ALA 144 N 1.42 3.16 0.00 4.31 0.00 -0.81 -2.74 121.76 127.09 1j4j s ALA 144 Ca 0.90 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1j4j s ALA 144 Cb -1.05 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1j4j s ALA 144 CO 0.55 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1j4j n GLY 145 N 0.64 0.37 3.95 0.00 0.00 -1.26 -4.90 105.19 103.99 1j4j n GLY 145 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1j4j n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j4j s SER 146 N -2.17 5.01 0.35 1.61 1.04 -1.11 -4.94 113.70 113.49 1j4j s SER 146 Ca 0.00 0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.75 1j4j s SER 146 Cb 0.00 -1.03 0.68 0.00 0.10 0.00 0.00 66.02 65.77 1j4j s SER 146 CO 0.00 -1.41 1.97 0.58 0.98 0.00 0.00 173.24 175.37 1j4j h VAL 147 N -0.32 1.08 -0.39 5.02 2.07 -1.95 -1.45 116.25 120.31 1j4j h VAL 147 Ca -0.43 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1j4j h VAL 147 Cb 1.31 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1j4j h VAL 147 CO 0.57 0.15 0.15 0.00 0.02 0.00 0.00 177.57 178.46 1j4j h ALA 148 N 1.60 1.52 -0.06 1.67 0.00 -1.93 0.82 119.26 122.88 1j4j h ALA 148 Ca 0.29 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1j4j h ALA 148 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j4j h ALA 148 CO -0.09 0.37 -0.68 1.49 0.00 0.00 0.00 179.25 180.34 1j4j h GLU 149 N 0.56 0.26 -0.31 0.00 4.81 -1.48 -0.19 114.58 118.21 1j4j h GLU 149 Ca 0.14 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1j4j h GLU 149 Cb 0.13 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1j4j h GLU 149 CO -0.01 0.84 -0.31 0.00 -0.73 0.00 0.00 179.01 178.80 1j4j h ALA 150 N 1.11 0.87 -0.10 2.92 0.00 -1.07 -2.32 119.26 120.67 1j4j h ALA 150 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1j4j h ALA 150 Cb 1.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1j4j h ALA 150 CO 0.11 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.37 1j4j h PHE 151 N 0.57 0.16 -0.43 0.00 3.57 -0.53 -2.16 116.94 118.13 1j4j h PHE 151 Ca 0.07 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1j4j h PHE 151 Cb 0.81 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1j4j h PHE 151 CO 0.04 0.28 0.04 1.88 -2.23 0.00 0.00 178.31 178.32 1j4j h TYR 152 N -0.00 0.69 -0.18 0.41 -1.99 -0.90 -2.36 116.97 112.64 1j4j h TYR 152 Ca 0.03 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1j4j h TYR 152 Cb 0.19 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1j4j h TYR 152 CO -0.01 0.64 -0.02 0.77 -0.00 0.00 0.00 178.16 179.54 1j4j h SER 153 N 0.64 0.33 -0.33 3.88 0.02 -1.37 -0.22 113.55 116.50 1j4j h SER 153 Ca 0.14 -0.34 0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1j4j h SER 153 Cb 0.34 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1j4j h SER 153 CO 0.01 0.59 0.33 0.00 -1.14 0.00 0.00 176.83 176.62 1j4j h ALA 154 N 0.75 2.04 -0.51 3.77 0.00 -1.17 0.35 119.26 124.50 1j4j h ALA 154 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j4j h ALA 154 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j4j h ALA 154 CO 0.01 -0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.04 1j4j n LEU 155 N -3.85 4.38 -1.48 0.00 4.32 -0.91 -4.94 117.00 114.53 1j4j n LEU 155 Ca 0.05 -2.22 -0.16 0.00 -0.02 0.00 0.00 56.01 53.66 1j4j n LEU 155 Cb 0.49 -0.58 -0.05 0.00 -1.62 0.00 0.00 43.42 41.66 1j4j n LEU 155 CO 0.29 0.63 -0.18 0.00 -1.22 0.00 0.00 177.39 176.91 1j4j n ALA 156 N 0.74 -0.33 -1.79 -1.18 0.00 0.12 -5.00 120.51 113.07 1j4j n ALA 156 Ca 0.22 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 1j4j n ALA 156 Cb 0.87 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 1j4j n ALA 156 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j4j s TYR 157 N -2.69 3.22 -0.18 0.00 1.51 -0.13 -4.92 117.35 114.17 1j4j s TYR 157 Ca 0.00 1.63 -0.17 0.00 -1.01 0.00 0.00 57.07 57.52 1j4j s TYR 157 Cb 0.00 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1j4j s TYR 157 CO 0.00 -0.60 0.45 0.99 -1.11 0.00 0.00 175.55 175.28 1j4j s THR 158 N -1.78 5.17 0.04 -0.71 2.01 0.38 -4.57 115.64 116.18 1j4j s THR 158 Ca 0.60 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 1j4j s THR 158 Cb -0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1j4j s THR 158 CO 0.24 0.26 0.99 -0.60 -0.69 0.00 0.00 174.62 174.81 1j4j s ARG 159 N 1.18 4.60 -0.23 4.92 3.52 -1.26 -0.30 118.95 131.39 1j4j s ARG 159 Ca 0.22 1.45 -0.06 0.00 -0.13 0.00 0.00 55.73 57.22 1j4j s ARG 159 Cb -0.15 -3.43 -0.18 0.00 -1.56 0.00 0.00 34.95 29.63 1j4j s ARG 159 CO 0.09 0.03 -0.08 0.28 -0.81 0.00 0.00 175.30 174.80 1j4j n VAL 160 N 3.52 1.57 -2.96 7.11 0.31 0.58 -4.98 118.33 123.49 1j4j n VAL 160 Ca 0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1j4j n VAL 160 Cb 0.50 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1j4j n VAL 160 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4j n GLY 161 N 1.90 -1.44 3.55 2.92 0.00 -1.24 -5.02 105.19 105.86 1j4j n GLY 161 Ca -0.43 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 1j4j n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j4j s GLU 162 N -1.98 1.82 -0.16 1.61 2.02 -1.26 -1.16 118.70 119.59 1j4j s GLU 162 Ca 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.02 1j4j s GLU 162 Cb 0.00 -1.58 0.03 0.00 0.10 0.00 0.00 34.13 32.68 1j4j s GLU 162 CO 0.00 0.05 -0.11 -0.51 0.02 0.00 0.00 175.26 174.71 1j4j s LEU 163 N -3.62 1.83 0.41 1.80 1.43 -0.28 -4.96 118.68 115.29 1j4j s LEU 163 Ca 0.33 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1j4j s LEU 163 Cb 0.05 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.06 1j4j s LEU 163 CO 0.16 -0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.54 1j4j s PRO 164 N 1.50 4.10 -1.75 1.29 0.04 -1.26 -1.29 135.00 137.63 1j4j s PRO 164 Ca 0.02 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 1j4j s PRO 164 Cb -0.14 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1j4j s PRO 164 CO -0.09 -0.21 0.03 0.41 0.04 0.00 0.00 177.00 177.18 1j4j n GLY 165 N 0.35 -0.50 0.20 0.56 0.00 -1.24 -4.91 105.19 99.65 1j4j n GLY 165 Ca 0.05 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1j4j n GLY 165 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1j4j h TYR 166 N -0.07 0.83 -3.35 1.61 3.20 -1.50 -3.46 116.97 114.22 1j4j h TYR 166 Ca -0.49 -0.29 -0.04 0.00 3.14 0.00 0.00 58.73 61.05 1j4j h TYR 166 Cb 1.36 -0.16 -0.12 0.00 1.54 0.00 0.00 36.73 39.36 1j4j h TYR 166 CO 0.57 1.05 -0.02 0.00 -1.64 0.00 0.00 178.16 178.11 1j4j s ALA 168 N -3.84 2.94 0.96 0.00 0.00 -1.26 -0.01 121.76 120.55 1j4j s ALA 168 Ca 0.06 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 1j4j s ALA 168 Cb 0.00 -1.09 0.16 0.00 0.00 0.00 0.00 23.12 22.20 1j4j s ALA 168 CO -0.07 0.60 1.10 0.95 0.00 0.00 0.00 175.76 178.33 1j4j s THR 169 N -0.94 2.24 0.52 0.00 -4.23 -0.37 -4.86 115.64 108.00 1j4j s THR 169 Ca 0.16 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 61.01 1j4j s THR 169 Cb -0.11 -2.61 0.43 0.00 1.34 0.00 0.00 72.50 71.54 1j4j s THR 169 CO 0.06 -0.10 1.94 -0.65 -0.54 0.00 0.00 174.62 175.33 1j4j h PRO 170 N -1.73 0.05 0.00 3.99 0.11 -1.78 -1.02 132.00 131.61 1j4j h PRO 170 Ca -0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1j4j h PRO 170 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1j4j h PRO 170 CO 0.57 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1j4j n ASP 171 N -4.35 0.64 0.00 -2.05 3.85 -1.26 -2.27 116.55 111.11 1j4j n ASP 171 Ca 0.14 0.68 0.00 0.00 -0.71 0.00 0.00 54.79 54.89 1j4j n ASP 171 Cb 0.74 -0.80 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 1j4j n ASP 171 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j4j n GLY 172 N -0.18 0.70 3.70 6.12 0.00 -0.39 -5.05 105.19 110.08 1j4j n GLY 172 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1j4j n GLY 172 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j4j s ARG 173 N -0.62 4.50 0.39 1.61 3.52 -1.26 -4.82 118.95 122.28 1j4j s ARG 173 Ca 0.00 1.43 -0.24 0.00 -0.13 0.00 0.00 55.73 56.79 1j4j s ARG 173 Cb 0.00 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1j4j s ARG 173 CO 0.00 -0.16 1.01 -0.51 -0.81 0.00 0.00 175.30 174.84 1j4j s LEU 174 N 1.38 4.15 0.03 -0.88 1.43 -1.26 -1.23 118.68 122.30 1j4j s LEU 174 Ca 0.51 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.55 1j4j s LEU 174 Cb -0.20 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 1j4j s LEU 174 CO 0.25 -0.39 -0.01 -1.00 0.23 0.00 0.00 176.35 175.42 1j4j s HIS 175 N -1.72 0.35 0.66 0.29 3.76 0.99 -4.92 115.29 114.70 1j4j s HIS 175 Ca 0.57 -0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 1j4j s HIS 175 Cb -0.20 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1j4j s HIS 175 CO 0.25 -0.28 1.03 -2.14 -0.85 0.00 0.00 174.74 172.75 1j4j s PRO 176 N -2.53 3.01 0.10 8.40 0.02 -1.26 -2.08 135.00 140.66 1j4j s PRO 176 Ca -0.06 0.39 0.08 0.00 0.02 0.00 0.00 61.00 61.43 1j4j s PRO 176 Cb -0.02 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1j4j s PRO 176 CO -0.05 -0.85 -0.14 -0.08 -0.33 0.00 0.00 177.00 175.54 1j4j s THR 177 N -3.22 3.08 -0.13 0.99 -1.32 -0.41 -1.93 115.64 112.70 1j4j s THR 177 Ca 0.56 -1.35 -0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1j4j s THR 177 Cb -0.11 -2.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.46 1j4j s THR 177 CO 0.50 0.14 -0.13 0.00 -2.21 0.00 0.00 174.62 172.92 1j4j s ALA 178 N -1.14 2.62 -0.05 11.08 0.00 1.00 -1.12 121.76 134.14 1j4j s ALA 178 Ca 0.19 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 1j4j s ALA 178 Cb -0.11 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1j4j s ALA 178 CO 0.11 0.26 0.68 0.42 0.00 0.00 0.00 175.76 177.22 1j4j s ILE 179 N 0.32 5.00 0.12 0.00 -1.09 -0.31 -1.37 121.20 123.87 1j4j s ILE 179 Ca -0.10 1.40 0.04 0.00 -2.23 0.00 0.00 60.65 59.75 1j4j s ILE 179 Cb -0.16 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1j4j s ILE 179 CO 0.06 0.30 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.65 1j4j s TYR 180 N 0.53 1.15 0.23 3.97 1.51 -0.45 -0.31 117.35 123.97 1j4j s TYR 180 Ca 0.36 -0.73 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 1j4j s TYR 180 Cb -0.18 -0.61 0.03 0.00 -0.11 0.00 0.00 41.96 41.10 1j4j s TYR 180 CO 0.18 0.03 0.63 -0.59 -1.11 0.00 0.00 175.55 174.68 1j4j s PHE 181 N -3.01 -0.24 -0.11 2.71 -0.12 0.59 -1.47 117.98 116.35 1j4j s PHE 181 Ca 0.12 -0.12 -0.07 0.00 -0.05 0.00 0.00 56.93 56.80 1j4j s PHE 181 Cb 0.01 0.57 0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1j4j s PHE 181 CO -0.00 -1.05 0.27 0.21 -0.05 0.00 0.00 175.22 174.60 1j4j s LYS 182 N -3.87 0.27 -0.12 1.99 2.20 -0.31 0.14 119.74 120.04 1j4j s LYS 182 Ca 0.08 0.48 -0.15 0.00 -0.36 0.00 0.00 55.97 56.03 1j4j s LYS 182 Cb -0.03 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 1j4j s LYS 182 CO -0.01 -0.11 0.35 0.99 -0.36 0.00 0.00 175.35 176.21 1j4j s THR 183 N 0.78 5.24 -2.79 3.43 2.01 -1.26 -1.31 115.64 121.73 1j4j s THR 183 Ca -0.05 0.67 0.26 0.00 0.31 0.00 0.00 61.69 62.88 1j4j s THR 183 Cb -0.06 -3.67 0.34 0.00 0.01 0.00 0.00 72.50 69.11 1j4j s THR 183 CO -0.05 0.43 1.46 0.18 -0.69 0.00 0.00 174.62 175.95