#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4j s ASN 4 N 0.00 6.52 -0.20 -2.24 0.01 -1.26 -4.81 114.94 112.96 1q4j s ASN 4 Ca 0.00 0.61 -0.07 0.00 -0.71 0.00 0.00 52.86 52.68 1q4j s ASN 4 Cb 0.00 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1q4j s ASN 4 CO 0.00 -0.36 0.07 -0.63 -1.51 0.00 0.00 177.10 174.67 1q4j s ILE 5 N 2.46 4.67 -0.06 0.60 1.01 -1.26 -1.41 121.20 127.21 1q4j s ILE 5 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 1q4j s ILE 5 Cb -0.15 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1q4j s ILE 5 CO 0.09 0.42 -0.02 -0.69 0.00 0.00 0.00 174.94 174.74 1q4j s VAL 6 N 0.74 0.44 -0.25 2.92 1.01 -0.34 -0.76 120.40 124.16 1q4j s VAL 6 Ca 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 1q4j s VAL 6 Cb -0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1q4j s VAL 6 CO 0.02 0.24 0.17 -0.22 0.00 0.00 0.00 175.10 175.30 1q4j s LEU 7 N 1.44 4.04 -0.15 3.92 2.96 0.36 -0.23 118.68 131.01 1q4j s LEU 7 Ca -0.03 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1q4j s LEU 7 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1q4j s LEU 7 CO -0.03 0.02 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.70 1q4j s TYR 8 N 1.34 3.09 0.20 5.38 1.51 -0.36 -0.16 117.35 128.34 1q4j s TYR 8 Ca 0.07 -0.15 -0.24 0.00 -1.01 0.00 0.00 57.07 55.75 1q4j s TYR 8 Cb -0.15 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1q4j s TYR 8 CO 0.07 0.08 0.89 -0.47 -1.11 0.00 0.00 175.55 175.01 1q4j s TYR 9 N 0.18 -0.13 0.96 2.71 6.04 -0.65 -1.96 117.35 124.50 1q4j s TYR 9 Ca -0.00 -0.23 -0.12 0.00 0.04 0.00 0.00 57.07 56.76 1q4j s TYR 9 Cb -0.13 0.67 0.17 0.00 -1.04 0.00 0.00 41.96 41.62 1q4j s TYR 9 CO 0.02 -0.96 1.09 -0.06 -1.54 0.00 0.00 175.55 174.10 1q4j s PHE 10 N -3.40 2.19 -1.27 4.97 0.40 -1.26 -1.08 117.98 118.52 1q4j s PHE 10 Ca 0.12 1.07 -0.18 0.00 -0.60 0.00 0.00 56.93 57.34 1q4j s PHE 10 Cb -0.03 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.28 1q4j s PHE 10 CO 0.04 -2.71 1.92 -3.47 0.70 0.00 0.00 175.22 171.69 1q4j n ASP 11 N -4.07 4.13 -3.54 1.36 2.03 -1.18 -4.61 116.55 110.68 1q4j n ASP 11 Ca 0.06 -2.84 -0.07 0.00 0.52 0.00 0.00 54.79 52.45 1q4j n ASP 11 Cb 0.57 -1.66 -0.02 0.00 -0.72 0.00 0.00 41.12 39.28 1q4j n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q4j s ALA 12 N 5.14 -1.85 -0.01 -1.67 0.00 -1.26 -4.92 121.76 117.18 1q4j s ALA 12 Ca 0.55 1.02 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 1q4j s ALA 12 Cb 0.07 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 1q4j s ALA 12 CO 0.05 -0.71 0.61 0.00 0.00 0.00 0.00 175.76 175.71 1q4j h ARG 13 N 2.00 -0.32 0.00 0.00 3.08 -1.86 -3.45 114.38 113.83 1q4j h ARG 13 Ca -0.21 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1q4j h ARG 13 Cb 1.23 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1q4j h ARG 13 CO 0.29 -0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 1q4j n GLY 14 N 0.36 1.67 0.42 0.04 0.00 -0.88 -1.53 105.19 105.27 1q4j n GLY 14 Ca -0.04 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1q4j n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q4j n LYS 15 N 9.14 1.55 -0.00 1.61 5.02 -1.26 -3.62 118.16 130.59 1q4j n LYS 15 Ca 0.00 -0.83 0.07 0.00 -2.02 0.00 0.00 58.31 55.53 1q4j n LYS 15 Cb 0.00 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1q4j n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q4j n ALA 16 N 0.11 3.10 -0.21 7.82 0.00 -0.76 -4.73 120.51 125.83 1q4j n ALA 16 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 1q4j n ALA 16 Cb 0.23 -0.51 0.12 0.00 0.00 0.00 0.00 19.45 19.29 1q4j n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q4j h GLU 17 N 0.00 1.02 -0.36 0.00 4.57 -1.34 -1.65 114.58 116.82 1q4j h GLU 17 Ca 0.00 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 57.90 1q4j h GLU 17 Cb 0.54 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1q4j h GLU 17 CO 0.00 0.87 -0.09 1.25 -1.18 0.00 0.00 179.01 179.86 1q4j h LEU 18 N 0.98 0.59 -0.36 1.64 5.85 -1.84 0.16 115.31 122.33 1q4j h LEU 18 Ca 0.22 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1q4j h LEU 18 Cb 0.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1q4j h LEU 18 CO -0.01 0.73 0.18 0.40 -0.34 0.00 0.00 178.44 179.40 1q4j h ILE 19 N 0.57 1.16 -0.79 4.05 2.04 -1.63 -0.66 117.51 122.25 1q4j h ILE 19 Ca 0.11 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1q4j h ILE 19 Cb 0.50 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1q4j h ILE 19 CO 0.03 0.17 0.48 0.03 0.00 0.00 0.00 178.15 178.85 1q4j h ARG 20 N 0.44 1.07 -0.55 2.37 3.08 -1.07 -1.72 114.38 118.01 1q4j h ARG 20 Ca 0.12 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1q4j h ARG 20 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1q4j h ARG 20 CO -0.02 0.75 0.01 -0.07 -1.07 0.00 0.00 179.97 179.58 1q4j h LEU 21 N 1.09 0.94 -0.35 3.04 3.38 -0.67 -1.21 115.31 121.54 1q4j h LEU 21 Ca 0.28 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1q4j h LEU 21 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1q4j h LEU 21 CO -0.05 1.01 0.16 0.40 0.09 0.00 0.00 178.44 180.05 1q4j h ILE 22 N 0.85 1.17 -0.52 1.22 2.04 -0.66 0.14 117.51 121.74 1q4j h ILE 22 Ca 0.16 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1q4j h ILE 22 Cb 0.52 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1q4j h ILE 22 CO 0.03 0.18 0.30 -0.26 0.00 0.00 0.00 178.15 178.40 1q4j h PHE 23 N 0.42 0.70 -0.51 1.37 0.04 -1.19 -1.13 116.94 116.65 1q4j h PHE 23 Ca 0.12 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1q4j h PHE 23 Cb 0.13 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 1q4j h PHE 23 CO -0.01 0.50 0.33 0.00 -0.60 0.00 0.00 178.31 178.53 1q4j h ALA 24 N 1.14 0.64 -0.52 2.45 0.00 -0.95 -0.67 119.26 121.36 1q4j h ALA 24 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1q4j h ALA 24 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1q4j h ALA 24 CO -0.03 0.10 0.26 -0.92 0.00 0.00 0.00 179.25 178.66 1q4j h TYR 25 N 0.69 0.73 -0.00 0.00 3.20 -0.24 -2.57 116.97 118.77 1q4j h TYR 25 Ca 0.19 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1q4j h TYR 25 Cb -0.06 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1q4j h TYR 25 CO -0.04 0.56 -0.02 1.28 -1.64 0.00 0.00 178.16 178.30 1q4j n LEU 26 N -4.61 0.16 -3.80 2.82 4.77 -0.47 -4.91 117.00 110.97 1q4j n LEU 26 Ca 0.02 0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 1q4j n LEU 26 Cb 0.11 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1q4j n LEU 26 CO 0.37 0.03 -0.10 0.61 -1.33 0.00 0.00 177.39 176.96 1q4j n GLY 27 N 1.18 -0.28 3.70 -0.72 0.00 -0.37 -4.99 105.19 103.71 1q4j n GLY 27 Ca 0.18 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1q4j n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q4j s ILE 28 N -3.72 5.36 0.17 -0.61 1.01 -0.53 -5.04 121.20 117.84 1q4j s ILE 28 Ca 0.06 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 1q4j s ILE 28 Cb -0.03 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 1q4j s ILE 28 CO 0.84 0.41 0.62 -1.61 0.00 0.00 0.00 174.94 175.20 1q4j s GLU 29 N 0.58 4.11 0.15 2.79 2.02 -1.26 -4.63 118.70 122.46 1q4j s GLU 29 Ca 0.08 0.67 -0.24 0.00 0.02 0.00 0.00 54.97 55.49 1q4j s GLU 29 Cb -0.12 -2.93 0.06 0.00 0.10 0.00 0.00 34.13 31.24 1q4j s GLU 29 CO 0.00 0.45 0.83 1.52 0.02 0.00 0.00 175.26 178.08 1q4j s TYR 30 N -1.46 -0.26 -0.29 1.61 1.13 -1.26 -4.70 117.35 112.12 1q4j s TYR 30 Ca 0.39 -0.04 -0.16 0.00 -1.41 0.00 0.00 57.07 55.86 1q4j s TYR 30 Cb -0.16 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1q4j s TYR 30 CO 0.20 -0.88 0.42 0.99 -2.51 0.00 0.00 175.55 173.77 1q4j s THR 31 N -3.49 5.13 -1.18 -3.49 2.01 0.06 -4.97 115.64 109.72 1q4j s THR 31 Ca 0.09 0.54 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 1q4j s THR 31 Cb -0.02 -3.77 0.14 0.00 0.01 0.00 0.00 72.50 68.86 1q4j s THR 31 CO -0.01 0.07 1.45 -0.62 -0.69 0.00 0.00 174.62 174.82 1q4j s ASP 32 N 1.65 6.95 -0.22 3.53 3.68 -1.26 -0.49 116.67 130.51 1q4j s ASP 32 Ca 0.16 -2.72 -0.29 0.00 2.13 0.00 0.00 52.55 51.83 1q4j s ASP 32 Cb -0.16 -2.44 -0.01 0.00 -1.45 0.00 0.00 42.92 38.86 1q4j s ASP 32 CO 0.10 -0.89 1.33 -0.54 0.13 0.00 0.00 175.17 175.30 1q4j s LYS 33 N 2.34 4.05 -0.20 4.34 -0.14 0.77 -4.99 119.74 125.90 1q4j s LYS 33 Ca 0.44 1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 56.54 1q4j s LYS 33 Cb -0.02 -3.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.29 1q4j s LYS 33 CO 0.00 -0.95 -0.11 1.03 -0.76 0.00 0.00 175.35 174.56 1q4j s ARG 34 N 3.92 3.20 0.26 1.68 0.52 -1.25 -1.64 118.95 125.64 1q4j s ARG 34 Ca 0.58 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 1q4j s ARG 34 Cb -0.20 -2.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.35 1q4j s ARG 34 CO 0.20 -0.20 1.38 -0.06 0.02 0.00 0.00 175.30 176.64 1q4j s PHE 35 N 1.40 3.07 0.00 -0.53 2.99 -0.24 -3.11 117.98 121.56 1q4j s PHE 35 Ca 0.05 1.17 0.00 0.00 0.00 0.00 0.00 56.93 58.15 1q4j s PHE 35 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 43.02 39.14 1q4j s PHE 35 CO -0.08 -2.29 0.00 0.41 -0.00 0.00 0.00 175.22 173.26 1q4j n GLY 36 N 1.86 0.67 0.29 4.36 0.00 -1.26 -3.08 105.19 108.02 1q4j n GLY 36 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1q4j n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q4j h VAL 37 N 0.00 1.26 -0.00 1.61 2.07 -1.94 -1.21 116.25 118.04 1q4j h VAL 37 Ca 0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1q4j h VAL 37 Cb 0.00 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1q4j h VAL 37 CO 0.00 0.41 0.00 0.59 0.02 0.00 0.00 177.57 178.59 1q4j n ASN 38 N -4.17 0.02 0.00 0.57 3.02 -1.26 -5.01 115.26 108.42 1q4j n ASN 38 Ca 0.02 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1q4j n ASN 38 Cb 0.35 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1q4j n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q4j n GLY 39 N 0.65 -1.11 3.26 7.41 0.00 -0.46 -5.03 105.19 109.91 1q4j n GLY 39 Ca 0.07 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 1q4j n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q4j n ASP 40 N -1.20 -6.98 -0.28 1.61 4.64 -1.26 -4.40 116.55 108.68 1q4j n ASP 40 Ca 0.00 -0.32 0.04 0.00 -1.38 0.00 0.00 54.79 53.13 1q4j n ASP 40 Cb 0.00 -4.30 0.18 0.00 -1.04 0.00 0.00 41.12 35.96 1q4j n ASP 40 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1q4j h ALA 41 N 0.69 1.15 -0.52 -1.67 0.00 -1.84 -2.33 119.26 114.73 1q4j h ALA 41 Ca -0.18 0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1q4j h ALA 41 Cb 1.11 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1q4j h ALA 41 CO 0.32 -0.06 0.00 0.35 0.00 0.00 0.00 179.25 179.86 1q4j h PHE 42 N 0.63 -0.03 -0.25 0.00 3.57 -1.95 -0.55 116.94 118.36 1q4j h PHE 42 Ca 0.41 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.79 1q4j h PHE 42 Cb 0.52 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1q4j h PHE 42 CO -0.10 -0.12 -0.49 0.28 -2.23 0.00 0.00 178.31 175.65 1q4j h VAL 43 N 0.12 1.30 0.81 1.41 2.07 -1.78 -1.49 116.25 118.68 1q4j h VAL 43 Ca 0.27 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 1q4j h VAL 43 Cb 0.41 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1q4j h VAL 43 CO -0.44 0.54 -0.39 -0.33 0.02 0.00 0.00 177.57 176.97 1q4j h GLU 44 N 0.50 -1.05 -0.97 1.57 5.08 -1.25 0.33 114.58 118.80 1q4j h GLU 44 Ca 0.01 0.07 0.21 0.00 -1.00 0.00 0.00 59.36 58.65 1q4j h GLU 44 Cb 1.10 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 1q4j h GLU 44 CO 0.11 -0.70 0.62 0.35 -1.00 0.00 0.00 179.01 178.39 1q4j h PHE 45 N -1.09 0.78 -0.28 4.33 -0.00 -1.14 0.69 116.94 120.23 1q4j h PHE 45 Ca -0.11 0.02 -0.12 0.00 -0.00 0.00 0.00 57.97 57.76 1q4j h PHE 45 Cb 0.84 -0.23 -0.00 0.00 -0.00 0.00 0.00 35.95 36.55 1q4j h PHE 45 CO -0.02 0.17 -0.31 0.87 -0.00 0.00 0.00 178.31 179.02 1q4j h LYS 46 N 0.55 0.70 -0.15 1.11 1.79 -0.64 -2.40 116.57 117.53 1q4j h LYS 46 Ca 0.54 -0.38 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 1q4j h LYS 46 Cb 1.12 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1q4j h LYS 46 CO -0.28 1.00 -0.47 -0.91 -1.08 0.00 0.00 179.45 177.71 1q4j h ASN 47 N 0.44 0.41 -0.35 0.86 -0.26 0.12 -2.97 115.58 113.84 1q4j h ASN 47 Ca 0.04 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1q4j h ASN 47 Cb 0.88 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 38.01 1q4j h ASN 47 CO 0.07 0.82 0.23 0.15 -1.06 0.00 0.00 177.43 177.65 1q4j h PHE 48 N 0.31 0.43 0.00 1.19 3.04 0.39 -1.72 116.94 120.58 1q4j h PHE 48 Ca 0.02 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1q4j h PHE 48 Cb 0.94 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.30 1q4j h PHE 48 CO 0.03 0.27 -0.16 0.87 -2.02 0.00 0.00 178.31 177.30 1q4j h LYS 49 N 0.47 0.00 -0.11 1.11 1.57 -1.33 -0.26 116.57 118.02 1q4j h LYS 49 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1q4j h LYS 49 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1q4j h LYS 49 CO -0.03 0.16 -0.55 0.87 -0.57 0.00 0.00 179.45 179.33 1q4j h LYS 50 N 0.00 0.57 0.11 3.15 1.57 -1.32 -3.36 116.57 117.28 1q4j h LYS 50 Ca -0.00 -0.46 -0.27 0.00 -1.87 0.00 0.00 60.65 58.05 1q4j h LYS 50 Cb 0.32 0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1q4j h LYS 50 CO 0.02 1.09 -1.19 0.93 -0.57 0.00 0.00 179.45 179.73 1q4j h GLU 51 N 0.19 0.40 -6.23 3.15 3.07 -1.03 -3.46 114.58 110.67 1q4j h GLU 51 Ca -0.04 -0.57 -0.66 0.00 -0.50 0.00 0.00 59.36 57.60 1q4j h GLU 51 Cb 1.19 0.20 -0.12 0.00 -0.84 0.00 0.00 28.75 29.17 1q4j h GLU 51 CO 0.11 1.24 -0.64 0.15 -1.40 0.00 0.00 179.01 178.47 1q4j s LYS 52 N -2.87 2.71 -1.08 2.33 3.01 -0.13 -5.06 119.74 118.66 1q4j s LYS 52 Ca -0.06 -0.70 -0.13 0.00 -1.01 0.00 0.00 55.97 54.07 1q4j s LYS 52 Cb 0.07 -2.63 0.21 0.00 -1.01 0.00 0.00 37.83 34.47 1q4j s LYS 52 CO 0.89 0.59 1.18 0.34 0.51 0.00 0.00 175.35 178.86 1q4j s ASP 53 N -1.93 7.06 0.23 2.83 -1.08 -1.26 -4.64 116.67 117.88 1q4j s ASP 53 Ca 0.23 -3.03 -0.22 0.00 -0.52 0.00 0.00 52.55 49.01 1q4j s ASP 53 Cb -0.12 -2.30 -0.08 0.00 -1.46 0.00 0.00 42.92 38.95 1q4j s ASP 53 CO 0.15 -0.60 0.77 0.42 0.52 0.00 0.00 175.17 176.43 1q4j s THR 54 N 0.51 4.47 0.22 1.71 -4.23 -1.26 -4.95 115.64 112.10 1q4j s THR 54 Ca 0.33 1.46 0.01 0.00 -1.18 0.00 0.00 61.69 62.31 1q4j s THR 54 Cb -0.07 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 1q4j s THR 54 CO -0.06 0.26 1.55 1.55 -0.54 0.00 0.00 174.62 177.39 1q4j h PRO 55 N 3.56 0.38 0.00 3.99 0.13 -1.95 -3.36 132.00 134.75 1q4j h PRO 55 Ca -0.48 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1q4j h PRO 55 Cb 1.20 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1q4j h PRO 55 CO 0.65 0.83 -0.20 1.19 -0.23 0.00 0.00 178.00 180.24 1q4j n PHE 56 N -3.93 0.00 -3.21 1.56 3.01 -1.26 -5.01 117.46 108.62 1q4j n PHE 56 Ca -0.03 -0.46 -0.23 0.00 1.01 0.00 0.00 57.45 57.74 1q4j n PHE 56 Cb 0.59 -0.09 0.02 0.00 -0.01 0.00 0.00 39.48 40.00 1q4j n PHE 56 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1q4j n GLU 57 N -0.64 -4.38 -4.28 -1.08 1.02 -1.26 -4.97 120.64 105.04 1q4j n GLU 57 Ca 0.07 0.71 -0.16 0.00 -0.02 0.00 0.00 57.16 57.76 1q4j n GLU 57 Cb 0.62 -5.52 -0.10 0.00 -0.02 0.00 0.00 31.44 26.42 1q4j n GLU 57 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1q4j s GLN 58 N -5.88 1.17 0.22 3.49 -0.21 -1.26 -5.09 119.66 112.10 1q4j s GLN 58 Ca 0.36 -1.53 0.10 0.00 0.02 0.00 0.00 55.36 54.31 1q4j s GLN 58 Cb -0.18 -0.70 -0.05 0.00 1.00 0.00 0.00 33.01 33.09 1q4j s GLN 58 CO 0.45 0.05 -0.18 0.14 -2.12 0.00 0.00 175.29 173.63 1q4j s VAL 59 N -3.29 2.06 0.61 1.09 -7.23 -1.26 -4.53 120.40 107.84 1q4j s VAL 59 Ca 0.20 -2.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 1q4j s VAL 59 Cb 0.03 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1q4j s VAL 59 CO 0.03 -0.42 1.17 -2.16 -0.31 0.00 0.00 175.10 173.41 1q4j s PRO 60 N -3.30 2.94 -0.06 4.82 0.04 -1.26 -5.00 135.00 133.18 1q4j s PRO 60 Ca 0.23 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1q4j s PRO 60 Cb -0.04 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1q4j s PRO 60 CO 0.10 -1.20 -0.13 0.42 0.04 0.00 0.00 177.00 176.23 1q4j s ILE 61 N -1.82 1.15 -0.22 0.56 -1.09 -0.83 -3.81 121.20 115.14 1q4j s ILE 61 Ca 0.74 -0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1q4j s ILE 61 Cb -0.27 -1.04 -0.01 0.00 -1.58 0.00 0.00 42.46 39.57 1q4j s ILE 61 CO 0.34 0.35 -0.03 -0.22 -1.23 0.00 0.00 174.94 174.15 1q4j s LEU 62 N 0.50 2.94 -0.25 2.97 1.98 0.16 -1.23 118.68 125.74 1q4j s LEU 62 Ca -0.11 -0.38 -0.08 0.00 -2.89 0.00 0.00 54.13 50.66 1q4j s LEU 62 Cb -0.14 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 44.92 1q4j s LEU 62 CO 0.03 -0.02 0.09 -1.58 -1.89 0.00 0.00 176.35 172.98 1q4j s GLN 63 N 1.49 3.74 -0.32 1.98 0.74 0.68 -0.58 119.66 127.39 1q4j s GLN 63 Ca 0.06 -0.43 -0.04 0.00 0.05 0.00 0.00 55.36 55.00 1q4j s GLN 63 Cb -0.14 -3.38 0.05 0.00 1.10 0.00 0.00 33.01 30.64 1q4j s GLN 63 CO -0.03 -0.14 0.05 0.42 -0.55 0.00 0.00 175.29 175.04 1q4j s ILE 64 N 1.53 3.30 0.00 -2.34 1.01 -0.23 -1.20 121.20 123.26 1q4j s ILE 64 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1q4j s ILE 64 Cb -0.15 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1q4j s ILE 64 CO 0.05 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1q4j n GLY 65 N 4.69 0.74 0.04 6.18 0.00 -0.50 -0.12 105.19 116.22 1q4j n GLY 65 Ca -0.12 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.54 1q4j n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q4j n ASP 66 N 9.21 0.82 -4.67 1.61 9.92 -1.26 -4.86 116.55 127.31 1q4j n ASP 66 Ca 0.00 -0.91 -0.43 0.00 -0.53 0.00 0.00 54.79 52.92 1q4j n ASP 66 Cb 0.00 0.94 -0.02 0.00 -0.64 0.00 0.00 41.12 41.40 1q4j n ASP 66 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1q4j s LEU 67 N -2.64 4.19 -0.25 0.64 1.43 0.83 -5.03 118.68 117.85 1q4j s LEU 67 Ca 0.07 1.58 -0.18 0.00 -1.03 0.00 0.00 54.13 54.57 1q4j s LEU 67 Cb 0.12 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1q4j s LEU 67 CO 0.60 -0.62 0.50 -0.63 0.23 0.00 0.00 176.35 176.42 1q4j s ILE 68 N 2.79 5.09 -0.13 -0.59 -1.09 -1.26 -1.06 121.20 124.94 1q4j s ILE 68 Ca 0.50 0.86 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1q4j s ILE 68 Cb -0.19 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1q4j s ILE 68 CO 0.14 0.11 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.02 1q4j s LEU 69 N 2.16 2.37 0.37 2.97 1.43 0.25 -4.99 118.68 123.24 1q4j s LEU 69 Ca 0.21 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1q4j s LEU 69 Cb -0.16 -1.51 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 1q4j s LEU 69 CO 0.09 0.12 -0.01 0.00 0.23 0.00 0.00 176.35 176.78 1q4j s ALA 70 N 0.61 3.14 -0.02 4.21 0.00 -1.26 0.36 121.76 128.80 1q4j s ALA 70 Ca -0.10 -2.15 -0.01 0.00 0.00 0.00 0.00 51.96 49.70 1q4j s ALA 70 Cb -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1q4j s ALA 70 CO 0.03 -0.02 0.02 1.04 0.00 0.00 0.00 175.76 176.84 1q4j n GLN 71 N -0.93 -0.46 -0.24 0.00 1.13 -1.25 -4.42 117.38 111.21 1q4j n GLN 71 Ca -0.04 0.80 0.03 0.00 -1.94 0.00 0.00 57.00 55.85 1q4j n GLN 71 Cb 0.65 -1.33 0.16 0.00 0.11 0.00 0.00 30.24 29.83 1q4j n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1q4j h SER 72 N 0.40 0.25 -0.22 1.08 4.64 -1.86 0.10 113.55 117.94 1q4j h SER 72 Ca -0.05 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1q4j h SER 72 Cb 0.11 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1q4j h SER 72 CO 0.00 0.11 0.13 1.56 -0.87 0.00 0.00 176.83 177.76 1q4j h GLN 73 N 0.43 0.30 -0.61 4.77 4.20 -1.91 -0.19 115.11 122.10 1q4j h GLN 73 Ca 0.38 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.02 1q4j h GLN 73 Cb 0.54 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1q4j h GLN 73 CO -0.38 0.26 0.20 0.00 -0.67 0.00 0.00 178.83 178.24 1q4j h ALA 74 N 1.03 1.21 -0.19 3.87 0.00 -1.43 -1.69 119.26 122.07 1q4j h ALA 74 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1q4j h ALA 74 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1q4j h ALA 74 CO -0.01 0.56 0.05 0.82 0.00 0.00 0.00 179.25 180.67 1q4j h ILE 75 N 0.89 1.19 -0.35 0.00 2.04 -0.67 0.00 117.51 120.61 1q4j h ILE 75 Ca 0.20 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1q4j h ILE 75 Cb 0.23 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1q4j h ILE 75 CO -0.01 0.19 0.09 0.58 0.00 0.00 0.00 178.15 178.99 1q4j h VAL 76 N 0.12 0.85 -0.49 1.67 2.07 -0.80 -0.38 116.25 119.29 1q4j h VAL 76 Ca 0.06 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1q4j h VAL 76 Cb 0.24 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1q4j h VAL 76 CO -0.00 0.04 -0.20 0.03 0.02 0.00 0.00 177.57 177.46 1q4j h ARG 77 N 0.21 1.00 0.18 1.57 3.08 -1.10 -0.67 114.38 118.65 1q4j h ARG 77 Ca 0.16 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1q4j h ARG 77 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1q4j h ARG 77 CO -0.20 1.10 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.80 1q4j h TYR 78 N 0.87 -0.22 -0.76 3.04 5.03 -0.70 -2.23 116.97 121.99 1q4j h TYR 78 Ca 0.12 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.54 1q4j h TYR 78 Cb 0.78 0.07 -0.08 0.00 1.55 0.00 0.00 36.73 39.05 1q4j h TYR 78 CO 0.05 -0.05 0.37 -0.07 -1.32 0.00 0.00 178.16 177.14 1q4j h LEU 79 N -0.36 0.44 -0.97 2.82 4.07 -0.97 -2.08 115.31 118.27 1q4j h LEU 79 Ca -0.02 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 1q4j h LEU 79 Cb 0.28 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1q4j h LEU 79 CO 0.04 0.22 -0.33 0.28 -1.08 0.00 0.00 178.44 177.57 1q4j h SER 80 N 0.58 0.35 -0.10 -0.43 0.02 -0.93 -1.11 113.55 111.92 1q4j h SER 80 Ca 0.40 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1q4j h SER 80 Cb 0.51 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1q4j h SER 80 CO -0.33 0.67 -0.17 0.11 -1.14 0.00 0.00 176.83 175.97 1q4j h LYS 81 N 0.30 0.29 -0.93 3.45 1.57 -0.89 -0.72 116.57 119.63 1q4j h LYS 81 Ca 0.04 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1q4j h LYS 81 Cb 0.73 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 1q4j h LYS 81 CO 0.06 0.76 0.60 0.87 -0.57 0.00 0.00 179.45 181.17 1q4j h LYS 82 N -0.15 1.11 -0.54 3.15 1.57 -1.16 -2.98 116.57 117.57 1q4j h LYS 82 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1q4j h LYS 82 Cb 0.74 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1q4j h LYS 82 CO 0.04 0.73 0.00 0.66 -0.57 0.00 0.00 179.45 180.31 1q4j n TYR 83 N -4.52 1.36 -3.34 -1.35 4.02 -0.44 -4.99 117.16 107.91 1q4j n TYR 83 Ca 0.13 -0.66 -0.16 0.00 -0.01 0.00 0.00 57.90 57.20 1q4j n TYR 83 Cb 0.12 -0.27 0.08 0.00 -0.02 0.00 0.00 39.34 39.26 1q4j n TYR 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1q4j n ASN 84 N 0.72 -2.23 -1.43 7.72 3.02 -0.69 -4.92 115.26 117.45 1q4j n ASN 84 Ca 0.24 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1q4j n ASN 84 Cb 0.88 -4.80 0.09 0.00 -0.61 0.00 0.00 39.78 35.35 1q4j n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1q4j n ILE 85 N -3.95 1.31 -0.46 2.41 -5.35 -0.36 -4.74 119.36 108.22 1q4j n ILE 85 Ca -0.26 -2.50 0.07 0.00 -0.27 0.00 0.00 62.75 59.79 1q4j n ILE 85 Cb 0.65 0.31 0.19 0.00 -1.74 0.00 0.00 39.64 39.05 1q4j n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q4j n GLY 87 N 0.15 0.97 0.00 0.00 0.00 -1.26 -3.65 105.19 101.40 1q4j n GLY 87 Ca 0.15 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.33 1q4j n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q4j n GLU 88 N 1.32 1.79 -4.17 1.61 4.07 -1.26 -4.83 120.64 119.17 1q4j n GLU 88 Ca 0.00 -0.04 -0.11 0.00 -0.06 0.00 0.00 57.16 56.96 1q4j n GLU 88 Cb 0.00 -1.22 -0.10 0.00 -0.06 0.00 0.00 31.44 30.06 1q4j n GLU 88 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1q4j s SER 89 N -2.71 0.29 0.35 4.31 1.04 -1.26 -5.04 113.70 110.69 1q4j s SER 89 Ca 0.02 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.24 1q4j s SER 89 Cb 0.10 0.31 0.65 0.00 0.10 0.00 0.00 66.02 67.19 1q4j s SER 89 CO 0.59 -0.76 1.91 -0.33 0.98 0.00 0.00 173.24 175.63 1q4j h GLU 90 N 2.79 0.52 0.01 4.02 5.08 -1.96 0.81 114.58 125.84 1q4j h GLU 90 Ca -0.35 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1q4j h GLU 90 Cb 1.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1q4j h GLU 90 CO 0.57 0.51 -0.00 1.25 -1.00 0.00 0.00 179.01 180.34 1q4j h LEU 91 N 0.50 -0.01 -1.16 1.33 5.85 -1.99 -2.09 115.31 117.74 1q4j h LEU 91 Ca 0.11 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1q4j h LEU 91 Cb 0.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1q4j h LEU 91 CO 0.00 0.53 0.32 0.78 -0.34 0.00 0.00 178.44 179.73 1q4j h ASN 92 N -0.55 0.81 -0.77 1.25 -0.26 -1.89 0.85 115.58 115.01 1q4j h ASN 92 Ca -0.00 -0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1q4j h ASN 92 Cb 0.54 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.54 1q4j h ASN 92 CO 0.00 0.68 0.46 -0.08 -1.06 0.00 0.00 177.43 177.44 1q4j h GLU 93 N 0.90 0.83 -0.23 0.81 4.81 -0.82 -0.00 114.58 120.87 1q4j h GLU 93 Ca 0.22 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1q4j h GLU 93 Cb 0.08 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1q4j h GLU 93 CO -0.03 0.55 0.09 0.35 -0.73 0.00 0.00 179.01 179.24 1q4j h PHE 94 N 0.85 0.35 -0.55 0.92 3.57 -0.61 -2.18 116.94 119.30 1q4j h PHE 94 Ca 0.34 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1q4j h PHE 94 Cb 0.16 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1q4j h PHE 94 CO -0.05 0.38 0.28 1.88 -2.23 0.00 0.00 178.31 178.57 1q4j h TYR 95 N 0.23 0.77 -0.78 0.41 0.05 -0.30 0.22 116.97 117.57 1q4j h TYR 95 Ca 0.08 -0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.88 1q4j h TYR 95 Cb 0.18 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 1q4j h TYR 95 CO -0.01 0.58 0.49 0.00 -1.05 0.00 0.00 178.16 178.16 1q4j h ALA 96 N 1.12 1.05 0.43 3.88 0.00 -1.02 0.70 119.26 125.42 1q4j h ALA 96 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1q4j h ALA 96 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1q4j h ALA 96 CO -0.03 0.25 -0.21 0.22 0.00 0.00 0.00 179.25 179.49 1q4j h ASP 97 N 0.92 -0.49 -0.77 0.00 1.82 -0.70 -0.82 116.42 116.37 1q4j h ASP 97 Ca 0.33 -0.03 0.14 0.00 -0.39 0.00 0.00 57.03 57.08 1q4j h ASP 97 Cb 0.09 0.13 -0.09 0.00 0.68 0.00 0.00 39.33 40.13 1q4j h ASP 97 CO -0.14 -0.29 0.33 -0.03 -1.61 0.00 0.00 179.24 177.51 1q4j h MET 98 N -0.67 0.47 -0.45 0.28 4.05 -0.35 -0.94 114.93 117.32 1q4j h MET 98 Ca -0.06 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.19 1q4j h MET 98 Cb 0.49 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1q4j h MET 98 CO 0.10 0.31 -0.27 0.82 0.23 0.00 0.00 176.91 178.10 1q4j h ILE 99 N 0.49 1.27 -0.97 1.77 2.04 -0.66 -1.03 117.51 120.42 1q4j h ILE 99 Ca 0.42 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.89 1q4j h ILE 99 Cb 0.63 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1q4j h ILE 99 CO -0.39 0.49 0.63 0.15 0.00 0.00 0.00 178.15 179.03 1q4j h PHE 100 N 0.82 1.19 -0.30 1.37 3.57 -0.43 0.77 116.94 123.93 1q4j h PHE 100 Ca 0.09 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1q4j h PHE 100 Cb 0.85 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1q4j h PHE 100 CO 0.06 0.68 -0.26 0.00 -2.23 0.00 0.00 178.31 176.56 1q4j h GLY 102 N 1.01 0.64 0.53 0.00 0.00 -0.27 -2.62 103.07 102.36 1q4j h GLY 102 Ca 0.07 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.17 1q4j h GLY 102 CO 0.05 0.29 0.34 -2.08 0.00 0.00 0.00 176.54 175.15 1q4j h VAL 103 N 0.54 0.88 -1.00 4.60 2.07 -0.38 -1.44 116.25 121.52 1q4j h VAL 103 Ca 0.15 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1q4j h VAL 103 Cb 0.10 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1q4j h VAL 103 CO -0.02 0.11 0.66 1.56 0.02 0.00 0.00 177.57 179.90 1q4j h GLN 104 N 0.60 1.22 0.53 1.57 1.08 -0.95 -0.05 115.11 119.12 1q4j h GLN 104 Ca 0.33 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1q4j h GLN 104 Cb 0.31 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1q4j h GLN 104 CO -0.24 0.81 -0.35 -0.44 -0.95 0.00 0.00 178.83 177.66 1q4j h ASP 105 N 1.26 -0.88 0.62 1.46 3.32 -0.92 -2.33 116.42 118.94 1q4j h ASP 105 Ca 0.40 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.38 1q4j h ASP 105 Cb 0.03 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1q4j h ASP 105 CO -0.13 -0.53 -0.61 0.16 -1.72 0.00 0.00 179.24 176.40 1q4j h ILE 106 N -0.84 1.44 -0.61 0.35 3.07 -1.26 -3.10 117.51 116.56 1q4j h ILE 106 Ca -0.06 -2.10 -0.10 0.00 1.55 0.00 0.00 64.86 64.15 1q4j h ILE 106 Cb 0.69 2.14 -0.02 0.00 -0.27 0.00 0.00 36.82 39.36 1q4j h ILE 106 CO 0.05 0.60 0.00 -0.74 -1.05 0.00 0.00 178.15 177.01 1q4j h HIS 107 N 0.00 1.16 -0.01 0.16 2.76 -0.92 0.61 115.15 118.91 1q4j h HIS 107 Ca -0.01 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 57.99 1q4j h HIS 107 Cb 1.09 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 1q4j h HIS 107 CO 0.00 1.02 -0.17 -0.92 -1.30 0.00 0.00 177.93 176.56 1q4j h TYR 108 N 0.97 -0.43 -0.65 5.26 5.03 -1.41 -1.08 116.97 124.66 1q4j h TYR 108 Ca 0.17 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1q4j h TYR 108 Cb 0.55 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.99 1q4j h TYR 108 CO 0.04 -0.24 0.39 0.87 -1.32 0.00 0.00 178.16 177.89 1q4j h LYS 109 N -0.27 0.89 -0.49 1.82 1.57 -1.32 -1.90 116.57 116.87 1q4j h LYS 109 Ca 0.06 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1q4j h LYS 109 Cb 0.34 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1q4j h LYS 109 CO -0.17 0.64 0.26 0.35 -0.57 0.00 0.00 179.45 179.96 1q4j h PHE 110 N 0.89 0.47 -0.67 -1.35 3.04 -0.44 -2.26 116.94 116.62 1q4j h PHE 110 Ca 0.23 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 1q4j h PHE 110 Cb -0.01 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 1q4j h PHE 110 CO -0.01 0.24 0.35 -0.91 -2.02 0.00 0.00 178.31 175.95 1q4j h ASN 111 N 0.50 0.86 0.46 0.41 2.35 -0.95 -1.39 115.58 117.82 1q4j h ASN 111 Ca 0.21 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1q4j h ASN 111 Cb 0.11 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1q4j h ASN 111 CO -0.14 0.72 -0.01 0.78 -1.65 0.00 0.00 177.43 177.13 1q4j h ASN 112 N 0.93 0.00 0.00 5.81 4.21 -0.84 -3.35 115.58 122.34 1q4j h ASN 112 Ca 0.23 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.54 1q4j h ASN 112 Cb 0.07 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 1q4j h ASN 112 CO -0.03 0.01 -1.79 0.35 -1.29 0.00 0.00 177.43 174.68 1q4j n THR 113 N -3.14 0.79 -0.10 2.81 -2.24 -0.90 -4.54 114.28 106.96 1q4j n THR 113 Ca -0.01 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1q4j n THR 113 Cb 0.18 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.55 1q4j n THR 113 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1q4j h ASN 114 N 0.00 0.40 0.03 3.42 -1.24 -1.39 0.91 115.58 117.71 1q4j h ASN 114 Ca -0.31 -0.08 -0.16 0.00 0.71 0.00 0.00 56.30 56.46 1q4j h ASN 114 Cb 1.60 -0.10 0.01 0.00 0.73 0.00 0.00 38.32 40.56 1q4j h ASN 114 CO -0.01 0.36 -0.64 0.25 -1.29 0.00 0.00 177.43 176.09 1q4j h LEU 115 N 0.40 0.51 0.00 0.34 6.46 -1.84 -3.36 115.31 117.83 1q4j h LEU 115 Ca 0.11 -0.80 0.00 0.00 -0.12 0.00 0.00 57.88 57.07 1q4j h LEU 115 Cb 0.05 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1q4j h LEU 115 CO -0.02 1.26 -0.66 0.49 -0.62 0.00 0.00 178.44 178.89 1q4j n PHE 116 N -4.20 0.44 -1.33 1.25 0.99 -1.23 -4.94 117.46 108.44 1q4j n PHE 116 Ca -0.11 0.13 -0.12 0.00 -0.00 0.00 0.00 57.45 57.35 1q4j n PHE 116 Cb 0.70 -0.58 -0.05 0.00 -1.00 0.00 0.00 39.48 38.56 1q4j n PHE 116 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1q4j n LYS 117 N -2.01 -1.29 -0.18 -1.08 4.76 0.31 -4.94 118.16 113.74 1q4j n LYS 117 Ca 0.03 0.87 -0.05 0.00 -2.87 0.00 0.00 58.31 56.30 1q4j n LYS 117 Cb 0.43 -5.07 -0.04 0.00 -1.84 0.00 0.00 35.03 28.50 1q4j n LYS 117 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1q4j n GLN 118 N -1.68 -0.19 -2.61 1.97 -0.06 -1.23 -2.65 117.38 110.93 1q4j n GLN 118 Ca -0.12 0.94 -0.11 0.00 -2.00 0.00 0.00 57.00 55.71 1q4j n GLN 118 Cb 0.50 -1.38 0.03 0.00 -4.06 0.00 0.00 30.24 25.33 1q4j n GLN 118 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1q4j n ASN 119 N -4.02 2.45 -0.30 1.69 3.02 -1.26 -4.94 115.26 111.90 1q4j n ASN 119 Ca 0.01 -2.80 -0.04 0.00 -0.03 0.00 0.00 54.58 51.72 1q4j n ASN 119 Cb 0.11 -0.48 0.07 0.00 -0.61 0.00 0.00 39.78 38.88 1q4j n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1q4j h GLU 120 N 2.71 1.07 -0.78 3.52 4.81 -1.80 0.56 114.58 124.67 1q4j h GLU 120 Ca 0.01 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1q4j h GLU 120 Cb 1.21 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1q4j h GLU 120 CO 0.49 0.71 0.32 1.15 -0.73 0.00 0.00 179.01 180.95 1q4j h THR 121 N 1.10 1.26 -0.14 0.32 2.02 -1.92 -0.20 112.91 115.35 1q4j h THR 121 Ca 0.30 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 1q4j h THR 121 Cb -0.12 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1q4j h THR 121 CO -0.06 0.33 -0.16 0.74 0.37 0.00 0.00 175.52 176.74 1q4j h THR 122 N 1.13 1.36 -0.32 3.16 2.02 -1.57 -0.18 112.91 118.51 1q4j h THR 122 Ca 0.26 -1.34 0.06 0.00 0.77 0.00 0.00 66.41 66.16 1q4j h THR 122 Cb 0.20 1.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 1q4j h THR 122 CO -0.02 0.39 -0.05 0.15 0.37 0.00 0.00 175.52 176.36 1q4j h PHE 123 N -0.04 -0.12 0.00 3.16 3.04 -0.76 0.71 116.94 122.93 1q4j h PHE 123 Ca 0.02 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1q4j h PHE 123 Cb 0.70 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1q4j h PHE 123 CO 0.09 -0.11 -0.24 -0.07 -2.02 0.00 0.00 178.31 175.96 1q4j h LEU 124 N 0.03 0.00 0.00 0.59 3.38 -0.93 0.29 115.31 118.66 1q4j h LEU 124 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1q4j h LEU 124 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1q4j h LEU 124 CO -0.30 0.24 -1.90 0.59 0.09 0.00 0.00 178.44 177.16 1q4j n ASN 125 N -3.27 0.14 0.10 -0.43 4.13 -0.09 -4.55 115.26 111.29 1q4j n ASN 125 Ca 0.01 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1q4j n ASN 125 Cb 0.52 1.61 0.00 0.00 -1.54 0.00 0.00 39.78 40.36 1q4j n ASN 125 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1q4j n GLU 126 N -2.40 0.00 0.00 3.52 4.07 0.22 -4.83 120.64 121.23 1q4j n GLU 126 Ca -0.07 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 1q4j n GLU 126 Cb 0.65 -0.23 -0.08 0.00 -0.06 0.00 0.00 31.44 31.72 1q4j n GLU 126 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1q4j h ASP 127 N 0.00 0.04 0.21 4.31 3.45 -1.23 -2.96 116.42 120.24 1q4j h ASP 127 Ca 0.00 -0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 1q4j h ASP 127 Cb 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1q4j h ASP 127 CO 0.00 0.27 -0.10 0.25 -1.57 0.00 0.00 179.24 178.09 1q4j h LEU 128 N -0.20 -0.24 -1.48 1.55 6.46 -0.71 -1.24 115.31 119.46 1q4j h LEU 128 Ca 0.01 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1q4j h LEU 128 Cb 0.25 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1q4j h LEU 128 CO 0.00 0.13 0.01 1.55 -0.62 0.00 0.00 178.44 179.51 1q4j h PRO 129 N -0.63 0.34 0.16 5.25 0.13 -1.79 0.83 132.00 136.28 1q4j h PRO 129 Ca -0.03 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1q4j h PRO 129 Cb 0.46 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1q4j h PRO 129 CO 0.05 0.36 -0.08 -0.22 -0.23 0.00 0.00 178.00 177.88 1q4j h LYS 130 N 0.34 -0.20 -0.31 0.86 3.64 -1.38 0.41 116.57 119.92 1q4j h LYS 130 Ca 0.08 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1q4j h LYS 130 Cb 0.21 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1q4j h LYS 130 CO 0.00 0.01 -0.25 -1.49 -2.27 0.00 0.00 179.45 175.46 1q4j h TRP 131 N -0.39 0.68 -0.23 1.91 4.06 -1.10 -1.11 115.95 119.78 1q4j h TRP 131 Ca -0.02 -0.15 -0.08 0.00 2.06 0.00 0.00 58.89 60.70 1q4j h TRP 131 Cb 0.31 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1q4j h TRP 131 CO -0.01 0.80 -0.21 0.77 -3.56 0.00 0.00 178.44 176.23 1q4j h SER 132 N 0.53 0.41 -0.59 -3.49 0.02 -0.79 -2.06 113.55 107.59 1q4j h SER 132 Ca 0.07 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1q4j h SER 132 Cb 0.70 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1q4j h SER 132 CO 0.05 0.63 0.05 1.23 -1.14 0.00 0.00 176.83 177.65 1q4j h GLY 133 N 0.97 1.11 0.99 -3.77 0.00 -0.32 0.13 103.07 102.17 1q4j h GLY 133 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1q4j h GLY 133 CO 0.04 0.71 0.08 -0.97 0.00 0.00 0.00 176.54 176.39 1q4j h TYR 134 N 0.95 0.14 -0.22 5.60 0.05 -0.59 -1.94 116.97 120.97 1q4j h TYR 134 Ca 0.18 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 1q4j h TYR 134 Cb 0.49 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1q4j h TYR 134 CO 0.03 0.09 -0.25 0.74 -1.05 0.00 0.00 178.16 177.72 1q4j h PHE 135 N 0.16 0.45 -0.51 4.88 0.05 -1.21 -1.98 116.94 118.78 1q4j h PHE 135 Ca 0.05 -0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.75 1q4j h PHE 135 Cb -0.01 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 37.80 1q4j h PHE 135 CO -0.08 0.63 0.32 1.49 -0.18 0.00 0.00 178.31 180.49 1q4j h GLU 136 N 0.36 0.68 -0.31 1.51 4.57 -0.77 -1.34 114.58 119.28 1q4j h GLU 136 Ca 0.05 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1q4j h GLU 136 Cb 0.64 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1q4j h GLU 136 CO 0.05 0.48 -0.26 -0.22 -1.18 0.00 0.00 179.01 177.87 1q4j h LYS 137 N 0.68 0.62 -0.20 1.92 3.64 -1.00 -0.53 116.57 121.69 1q4j h LYS 137 Ca 0.18 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1q4j h LYS 137 Cb -0.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1q4j h LYS 137 CO -0.04 0.82 0.06 -0.07 -2.27 0.00 0.00 179.45 177.96 1q4j h LEU 138 N 0.54 0.30 -0.58 5.20 3.38 -1.17 -0.76 115.31 122.20 1q4j h LEU 138 Ca 0.07 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1q4j h LEU 138 Cb 0.73 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1q4j h LEU 138 CO 0.06 0.42 0.30 -0.07 0.09 0.00 0.00 178.44 179.24 1q4j h LEU 139 N 0.16 0.43 -0.70 1.67 3.38 -0.85 -2.19 115.31 117.19 1q4j h LEU 139 Ca 0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1q4j h LEU 139 Cb 0.23 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1q4j h LEU 139 CO -0.00 0.28 0.40 0.50 0.09 0.00 0.00 178.44 179.71 1q4j h LYS 140 N 0.57 0.72 0.00 1.13 3.64 -0.94 -1.59 116.57 120.09 1q4j h LYS 140 Ca 0.26 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1q4j h LYS 140 Cb 0.18 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1q4j h LYS 140 CO -0.18 0.48 -0.07 0.87 -2.27 0.00 0.00 179.45 178.28 1q4j h LYS 141 N 0.74 0.00 -0.56 1.90 1.57 -0.51 -1.71 116.57 118.01 1q4j h LYS 141 Ca 0.31 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.90 1q4j h LYS 141 Cb 0.17 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.37 1q4j h LYS 141 CO -0.18 0.07 0.16 -1.71 -0.57 0.00 0.00 179.45 177.23 1q4j n ASN 142 N -3.66 3.93 0.10 0.86 5.15 -0.65 -4.84 115.26 116.16 1q4j n ASN 142 Ca -0.02 -3.35 -0.22 0.00 -0.60 0.00 0.00 54.58 50.38 1q4j n ASN 142 Cb 0.18 -0.68 -0.13 0.00 -0.53 0.00 0.00 39.78 38.61 1q4j n ASN 142 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 1q4j h HIS 143 N 1.88 0.97 -0.15 1.20 2.76 -0.75 -3.12 115.15 117.94 1q4j h HIS 143 Ca 0.23 -0.63 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1q4j h HIS 143 Cb 2.02 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.91 1q4j h HIS 143 CO 1.07 1.47 0.00 -2.37 -1.30 0.00 0.00 177.93 176.81 1q4j n THR 144 N -3.76 0.65 -2.37 6.26 5.66 -1.26 -4.07 114.28 115.39 1q4j n THR 144 Ca -0.14 -0.34 -0.43 0.00 -3.05 0.00 0.00 64.05 60.09 1q4j n THR 144 Cb 1.01 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1q4j n THR 144 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1q4j n ASN 145 N 0.15 4.71 -1.60 1.09 3.02 -1.18 -4.66 115.26 116.78 1q4j n ASN 145 Ca 0.07 -2.94 -0.01 0.00 -0.03 0.00 0.00 54.58 51.67 1q4j n ASN 145 Cb 0.45 -1.65 -0.01 0.00 -0.61 0.00 0.00 39.78 37.97 1q4j n ASN 145 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1q4j n ASN 146 N 6.50 -1.98 0.01 6.41 3.02 -1.26 -4.72 115.26 123.25 1q4j n ASN 146 Ca 0.46 0.24 0.11 0.00 -0.03 0.00 0.00 54.58 55.36 1q4j n ASN 146 Cb 0.42 -1.72 0.03 0.00 -0.61 0.00 0.00 39.78 37.90 1q4j n ASN 146 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1q4j n ASN 147 N 0.29 0.67 -2.83 6.41 3.02 -1.26 -4.39 115.26 117.18 1q4j n ASN 147 Ca -0.06 -0.44 -0.25 0.00 -0.03 0.00 0.00 54.58 53.80 1q4j n ASN 147 Cb 0.09 0.78 -0.07 0.00 -0.61 0.00 0.00 39.78 39.97 1q4j n ASN 147 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1q4j n ASN 148 N -1.74 6.42 -0.45 6.41 3.02 -1.26 -4.54 115.26 123.12 1q4j n ASN 148 Ca 0.03 -2.43 -0.06 0.00 -0.03 0.00 0.00 54.58 52.09 1q4j n ASN 148 Cb 0.39 -1.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.19 1q4j n ASN 148 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1q4j n ASP 149 N 3.34 -5.47 -4.60 6.41 8.00 -1.26 -4.98 116.55 117.98 1q4j n ASP 149 Ca 0.56 0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.83 1q4j n ASP 149 Cb 0.42 -3.49 -0.11 0.00 -0.02 0.00 0.00 41.12 37.92 1q4j n ASP 149 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1q4j s LYS 150 N -2.31 3.97 -0.23 -1.24 3.01 -1.26 -4.88 119.74 116.80 1q4j s LYS 150 Ca 0.00 -0.30 -0.01 0.00 -1.01 0.00 0.00 55.97 54.64 1q4j s LYS 150 Cb 0.00 -3.64 0.02 0.00 -1.01 0.00 0.00 37.83 33.20 1q4j s LYS 150 CO 0.00 -0.13 -0.09 0.71 0.51 0.00 0.00 175.35 176.35 1q4j s TYR 151 N 1.63 3.00 -0.02 3.18 2.02 -1.26 -4.51 117.35 121.40 1q4j s TYR 151 Ca 0.07 -1.52 0.05 0.00 -0.37 0.00 0.00 57.07 55.30 1q4j s TYR 151 Cb -0.16 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1q4j s TYR 151 CO 0.10 -0.72 -0.15 0.71 -1.57 0.00 0.00 175.55 173.91 1q4j s TYR 152 N 1.33 1.41 0.26 2.71 2.02 -1.26 -4.89 117.35 118.92 1q4j s TYR 152 Ca 0.02 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1q4j s TYR 152 Cb -0.16 -0.92 0.32 0.00 -0.40 0.00 0.00 41.96 40.80 1q4j s TYR 152 CO -0.06 -0.04 1.61 0.74 -1.57 0.00 0.00 175.55 176.22 1q4j h PHE 153 N 5.83 0.30 -3.25 2.71 -1.00 -1.93 -3.45 116.94 116.15 1q4j h PHE 153 Ca -0.35 -0.10 -0.48 0.00 2.81 0.00 0.00 57.97 59.84 1q4j h PHE 153 Cb 1.16 -0.06 -0.37 0.00 3.61 0.00 0.00 35.95 40.29 1q4j h PHE 153 CO 0.40 0.73 -0.79 0.08 -1.61 0.00 0.00 178.31 177.12 1q4j s VAL 154 N -3.89 0.75 0.00 -0.55 1.01 -1.26 -4.76 120.40 111.70 1q4j s VAL 154 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1q4j s VAL 154 Cb 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1q4j s VAL 154 CO 0.79 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.81 1q4j n GLY 155 N 4.83 1.73 0.43 4.51 0.00 -1.26 -3.83 105.19 111.60 1q4j n GLY 155 Ca -0.13 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.49 1q4j n GLY 155 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q4j n ASN 156 N -1.62 3.00 -3.95 1.61 3.02 -1.26 -4.77 115.26 111.29 1q4j n ASN 156 Ca 0.00 -2.96 -0.09 0.00 -0.03 0.00 0.00 54.58 51.50 1q4j n ASN 156 Cb 0.00 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 1q4j n ASN 156 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1q4j s ASN 157 N -2.32 0.22 0.28 6.41 3.84 -1.25 -5.03 114.94 117.09 1q4j s ASN 157 Ca 0.34 -0.59 -0.30 0.00 0.21 0.00 0.00 52.86 52.52 1q4j s ASN 157 Cb 0.29 0.22 -0.10 0.00 -0.55 0.00 0.00 41.25 41.10 1q4j s ASN 157 CO 0.06 -0.51 1.39 -0.22 -2.79 0.00 0.00 177.10 175.03 1q4j s LEU 158 N -2.19 4.40 0.28 3.21 0.20 -1.26 -4.69 118.68 118.63 1q4j s LEU 158 Ca -0.04 2.67 0.04 0.00 0.69 0.00 0.00 54.13 57.49 1q4j s LEU 158 Cb -0.01 -3.63 -0.06 0.00 -0.43 0.00 0.00 46.19 42.06 1q4j s LEU 158 CO -0.05 -0.64 0.01 0.42 -0.29 0.00 0.00 176.35 175.80 1q4j s THR 159 N -0.40 1.25 0.02 3.68 -4.23 -1.26 -4.57 115.64 110.13 1q4j s THR 159 Ca 0.55 -2.04 0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1q4j s THR 159 Cb -0.41 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.16 1q4j s THR 159 CO 0.47 -0.18 1.89 0.10 -0.54 0.00 0.00 174.62 176.36 1q4j h TYR 160 N 2.27 0.00 -0.42 3.99 -0.00 -1.66 -1.83 116.97 119.31 1q4j h TYR 160 Ca -0.40 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.21 1q4j h TYR 160 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.95 1q4j h TYR 160 CO 0.60 0.00 -0.20 0.00 -0.00 0.00 0.00 178.16 178.56 1q4j h ALA 161 N 2.04 0.59 -0.47 0.10 0.00 -1.84 0.27 119.26 119.93 1q4j h ALA 161 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1q4j h ALA 161 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1q4j h ALA 161 CO 0.00 0.56 0.28 -0.44 0.00 0.00 0.00 179.25 179.65 1q4j h ASP 162 N 0.70 0.45 0.10 0.00 3.32 -1.73 0.36 116.42 119.62 1q4j h ASP 162 Ca 0.09 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1q4j h ASP 162 Cb 0.77 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1q4j h ASP 162 CO 0.06 0.32 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.35 1q4j h LEU 163 N 0.56 0.48 -0.53 1.55 3.38 -1.43 -0.49 115.31 118.83 1q4j h LEU 163 Ca 0.19 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1q4j h LEU 163 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1q4j h LEU 163 CO -0.09 0.88 0.02 0.00 0.09 0.00 0.00 178.44 179.34 1q4j h ALA 164 N 1.13 0.71 -0.21 1.53 0.00 -0.48 0.51 119.26 122.46 1q4j h ALA 164 Ca 0.02 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1q4j h ALA 164 Cb 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1q4j h ALA 164 CO 0.08 0.52 -0.53 0.28 0.00 0.00 0.00 179.25 179.60 1q4j h VAL 165 N 0.80 1.30 0.04 0.00 2.07 -0.82 -2.05 116.25 117.59 1q4j h VAL 165 Ca 0.15 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 65.95 1q4j h VAL 165 Cb 0.50 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1q4j h VAL 165 CO 0.02 0.55 -0.35 0.15 0.02 0.00 0.00 177.57 177.97 1q4j h PHE 166 N 0.46 -0.96 -0.84 1.57 3.04 -0.97 -0.49 116.94 118.74 1q4j h PHE 166 Ca -0.01 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.08 1q4j h PHE 166 Cb 1.15 0.42 -0.08 0.00 2.56 0.00 0.00 35.95 40.00 1q4j h PHE 166 CO 0.09 -0.44 0.48 -0.97 -2.02 0.00 0.00 178.31 175.44 1q4j h ASN 167 N -0.53 0.66 0.54 0.41 -1.24 -0.83 0.42 115.58 115.02 1q4j h ASN 167 Ca 0.05 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 1q4j h ASN 167 Cb 0.59 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.58 1q4j h ASN 167 CO -0.26 0.36 -0.26 0.25 -1.29 0.00 0.00 177.43 176.24 1q4j h LEU 168 N 0.77 -0.61 -0.17 0.34 5.85 -1.08 -1.05 115.31 119.36 1q4j h LEU 168 Ca 0.42 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1q4j h LEU 168 Cb 0.43 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1q4j h LEU 168 CO -0.27 -0.39 0.00 -1.22 -0.34 0.00 0.00 178.44 176.22 1q4j n TYR 169 N -5.38 0.84 -0.09 1.25 4.02 -0.22 -1.84 117.16 115.74 1q4j n TYR 169 Ca -0.12 0.26 -0.14 0.00 -0.01 0.00 0.00 57.90 57.90 1q4j n TYR 169 Cb 0.31 -0.93 -0.02 0.00 -0.02 0.00 0.00 39.34 38.68 1q4j n TYR 169 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1q4j h ASP 170 N 0.00 0.97 -0.55 7.72 3.58 0.05 -1.65 116.42 126.54 1q4j h ASP 170 Ca 0.00 -0.48 -0.08 0.00 0.42 0.00 0.00 57.03 56.89 1q4j h ASP 170 Cb 0.63 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1q4j h ASP 170 CO 0.00 1.28 0.04 -0.78 -2.88 0.00 0.00 179.24 176.90 1q4j h ASP 171 N 0.70 0.94 0.06 2.28 1.82 -0.49 -3.29 116.42 118.44 1q4j h ASP 171 Ca 0.04 -0.23 -0.11 0.00 -0.39 0.00 0.00 57.03 56.34 1q4j h ASP 171 Cb 1.07 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.83 1q4j h ASP 171 CO 0.11 0.97 -0.51 0.40 -1.61 0.00 0.00 179.24 178.60 1q4j h ILE 172 N 0.91 1.56 0.00 2.25 2.04 -1.24 -3.28 117.51 119.75 1q4j h ILE 172 Ca 0.17 -2.41 -0.04 0.00 1.00 0.00 0.00 64.86 63.58 1q4j h ILE 172 Cb 0.47 3.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1q4j h ILE 172 CO 0.02 0.63 -0.21 -0.08 0.00 0.00 0.00 178.15 178.51 1q4j h GLU 173 N -0.72 0.00 0.20 2.37 4.81 -1.44 0.38 114.58 120.18 1q4j h GLU 173 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1q4j h GLU 173 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1q4j h GLU 173 CO 0.04 0.21 -0.10 1.79 -0.73 0.00 0.00 179.01 180.23 1q4j h THR 174 N 0.00 0.88 0.00 0.32 1.35 -1.68 0.50 112.91 114.28 1q4j h THR 174 Ca -0.00 -0.54 -0.12 0.00 -0.55 0.00 0.00 66.41 65.20 1q4j h THR 174 Cb 0.48 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1q4j h THR 174 CO 0.03 0.12 -0.57 0.11 -0.25 0.00 0.00 175.52 174.96 1q4j h LYS 175 N -0.55 0.00 -2.32 4.72 1.79 -1.54 -3.35 116.57 115.33 1q4j h LYS 175 Ca -0.03 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.85 1q4j h LYS 175 Cb 0.41 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.66 1q4j h LYS 175 CO 0.05 0.57 -0.84 0.66 -1.08 0.00 0.00 179.45 178.81 1q4j n TYR 176 N -3.83 1.32 -1.46 -1.35 4.02 0.13 -5.12 117.16 110.86 1q4j n TYR 176 Ca -0.01 -3.81 -0.40 0.00 -0.01 0.00 0.00 57.90 53.67 1q4j n TYR 176 Cb 0.58 -0.33 0.02 0.00 -0.02 0.00 0.00 39.34 39.59 1q4j n TYR 176 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1q4j n PRO 177 N 1.63 0.57 -1.35 -0.72 -0.02 0.16 -2.38 135.00 132.90 1q4j n PRO 177 Ca 0.25 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1q4j n PRO 177 Cb 0.45 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 1q4j n PRO 177 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1q4j n SER 178 N 0.94 -5.07 0.00 2.55 7.64 -1.26 -4.89 113.62 113.53 1q4j n SER 178 Ca 0.11 0.30 0.01 0.00 1.01 0.00 0.00 58.87 60.30 1q4j n SER 178 Cb 0.43 -3.63 0.33 0.00 -1.01 0.00 0.00 64.21 60.34 1q4j n SER 178 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q4j h SER 179 N 0.00 0.48 0.81 6.43 0.02 -1.79 -2.98 113.55 116.52 1q4j h SER 179 Ca -0.25 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1q4j h SER 179 Cb 0.99 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1q4j h SER 179 CO 0.36 0.50 -0.20 0.18 -1.14 0.00 0.00 176.83 176.53 1q4j n LEU 180 N -4.34 0.21 0.00 5.07 4.77 -1.26 -4.30 117.00 117.16 1q4j n LEU 180 Ca 0.02 0.30 0.16 0.00 -0.03 0.00 0.00 56.01 56.46 1q4j n LEU 180 Cb 0.19 -0.40 0.62 0.00 -2.33 0.00 0.00 43.42 41.50 1q4j n LEU 180 CO 0.38 0.05 1.17 0.11 -1.33 0.00 0.00 177.39 177.76 1q4j h LYS 181 N 0.00 0.14 -0.13 3.23 1.57 -1.93 -0.34 116.57 119.10 1q4j h LYS 181 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1q4j h LYS 181 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1q4j h LYS 181 CO 0.00 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 1q4j n ASN 182 N -4.43 1.29 -3.51 0.86 3.02 -1.26 -4.49 115.26 106.73 1q4j n ASN 182 Ca 0.08 -1.66 -0.29 0.00 -0.03 0.00 0.00 54.58 52.69 1q4j n ASN 182 Cb 0.46 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 1q4j n ASN 182 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1q4j s PHE 183 N -1.83 1.18 0.11 3.10 0.40 -0.14 -5.02 117.98 115.78 1q4j s PHE 183 Ca 0.31 -2.03 -0.18 0.00 -0.60 0.00 0.00 56.93 54.43 1q4j s PHE 183 Cb 0.16 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 1q4j s PHE 183 CO 0.24 -0.81 1.61 -1.00 0.70 0.00 0.00 175.22 175.97 1q4j h PRO 184 N 6.54 0.47 -0.28 0.24 0.13 -1.79 -1.17 132.00 136.15 1q4j h PRO 184 Ca 0.10 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1q4j h PRO 184 Cb 0.94 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1q4j h PRO 184 CO 0.35 0.54 0.03 -0.07 -0.23 0.00 0.00 178.00 178.62 1q4j h LEU 185 N 0.32 0.37 0.02 1.56 3.38 -1.93 -0.22 115.31 118.81 1q4j h LEU 185 Ca 0.09 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 1q4j h LEU 185 Cb 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1q4j h LEU 185 CO -0.00 0.41 -1.07 0.25 0.09 0.00 0.00 178.44 178.12 1q4j h LEU 186 N 0.40 0.14 -0.07 1.67 5.85 -1.88 -0.95 115.31 120.47 1q4j h LEU 186 Ca 0.09 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 1q4j h LEU 186 Cb 0.21 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1q4j h LEU 186 CO 0.00 1.11 -0.49 0.50 -0.34 0.00 0.00 178.44 179.22 1q4j h LYS 187 N 0.03 0.47 -0.64 1.25 3.64 -0.94 -1.53 116.57 118.84 1q4j h LYS 187 Ca -0.05 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1q4j h LYS 187 Cb 1.82 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 1q4j h LYS 187 CO 0.15 1.04 0.36 0.00 -2.27 0.00 0.00 179.45 178.73 1q4j h ALA 188 N 0.43 0.82 -0.65 5.00 0.00 -1.05 -1.46 119.26 122.34 1q4j h ALA 188 Ca -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1q4j h ALA 188 Cb 1.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1q4j h ALA 188 CO 0.10 0.33 0.35 1.25 0.00 0.00 0.00 179.25 181.28 1q4j h HIS 189 N 0.87 0.91 -0.63 0.00 -0.00 -1.09 0.14 115.15 115.35 1q4j h HIS 189 Ca 0.23 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1q4j h HIS 189 Cb 0.02 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 1q4j h HIS 189 CO -0.01 0.65 0.24 -0.97 -0.00 0.00 0.00 177.93 177.84 1q4j h ASN 190 N 0.90 0.85 -0.19 3.26 -1.24 -0.96 -1.77 115.58 116.43 1q4j h ASN 190 Ca 0.23 -0.12 -0.16 0.00 0.71 0.00 0.00 56.30 56.96 1q4j h ASN 190 Cb 0.05 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.88 1q4j h ASN 190 CO -0.04 0.77 -0.49 -0.33 -1.29 0.00 0.00 177.43 176.06 1q4j h GLU 191 N 0.91 0.67 0.35 6.67 5.08 -0.42 -2.63 114.58 125.21 1q4j h GLU 191 Ca 0.21 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1q4j h GLU 191 Cb 0.19 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1q4j h GLU 191 CO -0.02 1.08 -0.30 0.35 -1.00 0.00 0.00 179.01 179.12 1q4j h PHE 192 N 0.36 -0.84 -0.15 4.33 3.57 -0.55 -1.28 116.94 122.38 1q4j h PHE 192 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1q4j h PHE 192 Cb 1.10 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1q4j h PHE 192 CO 0.09 -0.42 -0.24 -0.84 -2.23 0.00 0.00 178.31 174.68 1q4j h ILE 193 N -0.64 1.23 0.00 1.41 -0.00 -1.44 -1.28 117.51 116.79 1q4j h ILE 193 Ca -0.04 -1.09 -0.04 0.00 -0.00 0.00 0.00 64.86 63.68 1q4j h ILE 193 Cb 0.54 1.39 -0.01 0.00 -0.00 0.00 0.00 36.82 38.74 1q4j h ILE 193 CO -0.01 0.34 -0.21 0.77 -0.00 0.00 0.00 178.15 179.03 1q4j h SER 194 N 0.24 0.00 0.56 2.16 4.64 -1.35 -2.46 113.55 117.34 1q4j h SER 194 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1q4j h SER 194 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1q4j h SER 194 CO 0.04 0.21 -0.29 0.59 -0.87 0.00 0.00 176.83 176.50 1q4j n ASN 195 N -3.94 0.44 -4.68 4.97 5.03 -0.49 -2.77 115.26 113.81 1q4j n ASN 195 Ca -0.02 -0.20 -0.45 0.00 0.87 0.00 0.00 54.58 54.78 1q4j n ASN 195 Cb 0.29 0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 39.03 1q4j n ASN 195 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1q4j n LEU 196 N -1.31 3.49 -0.22 3.41 4.77 -0.93 -4.67 117.00 121.54 1q4j n LEU 196 Ca 0.08 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1q4j n LEU 196 Cb 0.33 -1.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.03 1q4j n LEU 196 CO 0.30 -0.08 0.76 -0.65 -1.33 0.00 0.00 177.39 176.39 1q4j h PRO 197 N 7.08 0.03 -0.89 3.23 0.11 -1.90 0.13 132.00 139.80 1q4j h PRO 197 Ca -0.45 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1q4j h PRO 197 Cb 1.24 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1q4j h PRO 197 CO 0.92 0.02 0.57 -0.91 -0.21 0.00 0.00 178.00 178.39 1q4j h ASN 198 N 0.03 0.93 -0.05 -2.05 -0.26 -1.89 -0.92 115.58 111.37 1q4j h ASN 198 Ca 0.32 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.98 1q4j h ASN 198 Cb 0.50 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1q4j h ASN 198 CO -0.63 0.62 -0.29 0.40 -1.06 0.00 0.00 177.43 176.47 1q4j h ILE 199 N 1.08 1.46 -0.69 2.81 2.04 -1.36 -1.70 117.51 121.14 1q4j h ILE 199 Ca 0.37 -1.76 0.14 0.00 1.00 0.00 0.00 64.86 64.60 1q4j h ILE 199 Cb 0.07 2.45 -0.13 0.00 -0.74 0.00 0.00 36.82 38.46 1q4j h ILE 199 CO -0.14 0.50 -0.18 0.50 0.00 0.00 0.00 178.15 178.82 1q4j h LYS 200 N -0.27 -0.01 -0.52 2.37 3.64 -0.64 0.10 116.57 121.23 1q4j h LYS 200 Ca -0.02 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1q4j h LYS 200 Cb 0.96 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1q4j h LYS 200 CO 0.06 -0.01 0.05 -0.97 -2.27 0.00 0.00 179.45 176.31 1q4j h ASN 201 N -0.01 0.86 -0.19 4.20 -1.24 -1.13 -2.52 115.58 115.55 1q4j h ASN 201 Ca 0.33 -0.28 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1q4j h ASN 201 Cb 0.51 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1q4j h ASN 201 CO -0.72 0.93 0.12 0.22 -1.29 0.00 0.00 177.43 176.69 1q4j h TYR 202 N 0.76 0.26 -0.50 0.67 5.03 -0.68 -2.29 116.97 120.23 1q4j h TYR 202 Ca 0.15 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 1q4j h TYR 202 Cb 0.46 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 1q4j h TYR 202 CO 0.03 0.21 0.20 0.82 -1.32 0.00 0.00 178.16 178.10 1q4j h ILE 203 N 0.23 1.21 -0.11 1.81 1.08 -0.98 -1.09 117.51 119.67 1q4j h ILE 203 Ca 0.07 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.79 1q4j h ILE 203 Cb 0.03 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1q4j h ILE 203 CO -0.01 0.25 -0.35 0.71 -0.69 0.00 0.00 178.15 178.05 1q4j h THR 204 N 0.66 1.28 -0.00 -0.27 1.35 -1.44 -1.89 112.91 112.60 1q4j h THR 204 Ca 0.17 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1q4j h THR 204 Cb 0.20 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1q4j h THR 204 CO -0.01 0.41 -0.00 0.59 -0.25 0.00 0.00 175.52 176.25 1q4j n ASN 205 N -4.08 0.01 -4.64 5.36 5.03 -0.86 -4.83 115.26 111.24 1q4j n ASN 205 Ca -0.01 0.31 -0.43 0.00 0.87 0.00 0.00 54.58 55.32 1q4j n ASN 205 Cb 0.43 -0.43 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1q4j n ASN 205 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1q4j s ARG 206 N -2.88 4.15 0.51 3.52 3.52 -0.45 -5.02 118.95 122.30 1q4j s ARG 206 Ca 0.18 1.08 -0.23 0.00 -0.13 0.00 0.00 55.73 56.63 1q4j s ARG 206 Cb 0.19 -3.68 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 1q4j s ARG 206 CO 0.51 -0.68 1.24 0.36 -0.81 0.00 0.00 175.30 175.92 1q4j n LYS 207 N 6.38 1.61 -2.08 5.12 2.85 -1.26 -4.98 118.16 125.80 1q4j n LYS 207 Ca 0.09 0.59 -0.34 0.00 -1.05 0.00 0.00 58.31 57.60 1q4j n LYS 207 Cb 0.47 -2.41 0.02 0.00 -0.65 0.00 0.00 35.03 32.46 1q4j n LYS 207 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1q4j s GLU 208 N -2.58 3.16 0.07 -1.58 2.02 -1.26 -5.06 118.70 113.48 1q4j s GLU 208 Ca 0.68 1.51 -0.13 0.00 0.02 0.00 0.00 54.97 57.05 1q4j s GLU 208 Cb -0.46 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1q4j s GLU 208 CO 0.52 -0.98 0.30 -1.54 0.02 0.00 0.00 175.26 173.58 1q4j s SER 209 N -2.10 -0.09 0.16 -0.19 1.04 -1.26 -5.06 113.70 106.21 1q4j s SER 209 Ca 0.70 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 1q4j s SER 209 Cb -0.22 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.33 1q4j s SER 209 CO 0.32 -0.70 1.67 0.58 0.98 0.00 0.00 173.24 176.10 1q4j h VAL 210 N 2.91 1.25 0.00 5.02 2.07 -1.97 -3.50 116.25 122.03 1q4j h VAL 210 Ca -0.33 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1q4j h VAL 210 Cb 1.21 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1q4j h VAL 210 CO 0.49 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.41