#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa3 s VAL 6 N 0.00 1.70 -0.22 1.39 1.01 -0.67 -0.38 120.40 123.24 1pa3 s VAL 6 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1pa3 s VAL 6 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1pa3 s VAL 6 CO 0.00 0.48 0.10 -0.22 0.00 0.00 0.00 175.10 175.46 1pa3 s LEU 7 N 0.85 3.87 -0.04 3.92 2.96 -0.14 -0.85 118.68 129.25 1pa3 s LEU 7 Ca -0.08 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1pa3 s LEU 7 Cb -0.15 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1pa3 s LEU 7 CO -0.00 0.10 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.70 1pa3 s TYR 8 N 0.84 2.79 -0.09 5.38 1.51 -0.76 -0.78 117.35 126.25 1pa3 s TYR 8 Ca 0.05 -0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 55.71 1pa3 s TYR 8 Cb -0.13 -1.64 0.11 0.00 -0.11 0.00 0.00 41.96 40.18 1pa3 s TYR 8 CO 0.02 0.26 1.38 -0.47 -1.11 0.00 0.00 175.55 175.63 1pa3 s TYR 9 N -0.80 0.00 0.74 2.71 6.04 -0.92 -3.14 117.35 121.99 1pa3 s TYR 9 Ca 0.13 -0.02 -0.11 0.00 0.04 0.00 0.00 57.07 57.11 1pa3 s TYR 9 Cb -0.11 0.51 0.04 0.00 -1.04 0.00 0.00 41.96 41.36 1pa3 s TYR 9 CO 0.02 -0.03 1.12 -0.06 -1.54 0.00 0.00 175.55 175.06 1pa3 s PHE 10 N -2.01 3.18 -1.25 4.97 0.40 -1.26 0.17 117.98 122.19 1pa3 s PHE 10 Ca 0.30 0.92 -0.18 0.00 -0.60 0.00 0.00 56.93 57.38 1pa3 s PHE 10 Cb 0.01 -3.22 -0.00 0.00 0.51 0.00 0.00 43.02 40.32 1pa3 s PHE 10 CO -0.03 -1.39 1.95 -3.47 0.70 0.00 0.00 175.22 172.97 1pa3 n ASP 11 N -3.11 3.92 -3.81 1.36 2.03 -0.83 -4.53 116.55 111.58 1pa3 n ASP 11 Ca 0.07 -2.82 -0.05 0.00 0.52 0.00 0.00 54.79 52.51 1pa3 n ASP 11 Cb 0.59 -1.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 1pa3 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa3 s ALA 12 N 5.21 -1.43 -0.01 -1.67 0.00 -1.26 -5.06 121.76 117.53 1pa3 s ALA 12 Ca 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 1pa3 s ALA 12 Cb 0.08 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 1pa3 s ALA 12 CO 0.04 -1.04 0.09 0.00 0.00 0.00 0.00 175.76 174.85 1pa3 h ARG 13 N 2.00 -0.02 0.00 0.00 3.08 -1.99 -3.44 114.38 114.01 1pa3 h ARG 13 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1pa3 h ARG 13 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1pa3 h ARG 13 CO 0.24 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 1pa3 n GLY 14 N 1.70 2.35 0.39 0.04 0.00 -1.26 -1.64 105.19 106.77 1pa3 n GLY 14 Ca -0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1pa3 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pa3 n LYS 15 N 14.00 1.53 0.04 1.61 5.02 -1.26 -3.96 118.16 135.14 1pa3 n LYS 15 Ca 0.00 -0.78 0.11 0.00 -2.02 0.00 0.00 58.31 55.62 1pa3 n LYS 15 Cb 0.00 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1pa3 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pa3 n ALA 16 N -0.05 2.74 -0.08 7.82 0.00 -0.65 -4.40 120.51 125.88 1pa3 n ALA 16 Ca 0.19 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.27 1pa3 n ALA 16 Cb 0.30 -0.91 0.37 0.00 0.00 0.00 0.00 19.45 19.21 1pa3 n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pa3 h GLU 17 N 0.00 0.68 -0.58 0.00 4.57 -1.54 -1.97 114.58 115.74 1pa3 h GLU 17 Ca 0.00 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1pa3 h GLU 17 Cb 0.98 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1pa3 h GLU 17 CO 0.00 0.45 0.09 1.25 -1.18 0.00 0.00 179.01 179.62 1pa3 h LEU 18 N 0.70 0.93 -1.01 1.64 5.85 -1.85 -1.51 115.31 120.05 1pa3 h LEU 18 Ca 0.21 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1pa3 h LEU 18 Cb -0.02 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1pa3 h LEU 18 CO -0.05 0.95 0.41 0.40 -0.34 0.00 0.00 178.44 179.81 1pa3 h ILE 19 N 0.86 1.24 0.00 4.05 2.04 -1.63 -0.88 117.51 123.19 1pa3 h ILE 19 Ca 0.18 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1pa3 h ILE 19 Cb 0.42 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1pa3 h ILE 19 CO 0.01 0.27 -0.23 0.03 0.00 0.00 0.00 178.15 178.23 1pa3 h ARG 20 N 1.11 0.00 0.05 2.37 3.08 -0.94 -1.61 114.38 118.43 1pa3 h ARG 20 Ca 0.28 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.05 1pa3 h ARG 20 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.13 1pa3 h ARG 20 CO -0.04 0.23 -1.12 -0.07 -1.07 0.00 0.00 179.97 177.91 1pa3 h LEU 21 N 0.00 0.82 -0.09 3.04 3.38 -0.39 -2.47 115.31 119.59 1pa3 h LEU 21 Ca -0.00 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 57.28 1pa3 h LEU 21 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1pa3 h LEU 21 CO 0.03 1.51 0.01 0.40 0.09 0.00 0.00 178.44 180.48 1pa3 h ILE 22 N 0.31 0.95 -0.04 1.22 1.08 -0.66 0.17 117.51 120.54 1pa3 h ILE 22 Ca -0.14 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1pa3 h ILE 22 Cb 1.78 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1pa3 h ILE 22 CO 0.21 0.01 -0.01 -0.26 -0.69 0.00 0.00 178.15 177.41 1pa3 h PHE 23 N 0.05 0.05 0.03 1.37 0.04 -1.34 -1.57 116.94 115.56 1pa3 h PHE 23 Ca 0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 1pa3 h PHE 23 Cb 0.04 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1pa3 h PHE 23 CO -0.12 0.07 -0.50 0.00 -0.60 0.00 0.00 178.31 177.16 1pa3 h ALA 24 N 1.94 0.02 -0.96 2.45 0.00 -0.84 0.28 119.26 122.15 1pa3 h ALA 24 Ca 0.01 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.41 1pa3 h ALA 24 Cb 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1pa3 h ALA 24 CO 0.00 0.25 0.62 -0.92 0.00 0.00 0.00 179.25 179.20 1pa3 h TYR 25 N -0.35 1.16 -0.05 0.00 3.20 -0.40 -1.37 116.97 119.16 1pa3 h TYR 25 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1pa3 h TYR 25 Cb 1.27 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1pa3 h TYR 25 CO 0.18 0.65 0.00 1.28 -1.64 0.00 0.00 178.16 178.62 1pa3 n LEU 26 N -4.50 1.33 -3.63 2.82 4.77 -0.62 -4.95 117.00 112.22 1pa3 n LEU 26 Ca 0.13 -0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 55.35 1pa3 n LEU 26 Cb 0.12 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1pa3 n LEU 26 CO 0.33 0.24 -0.05 0.61 -1.33 0.00 0.00 177.39 177.19 1pa3 n GLY 27 N 1.13 -1.04 3.29 -0.72 0.00 -0.47 -4.97 105.19 102.40 1pa3 n GLY 27 Ca 0.19 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 46.34 1pa3 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pa3 s ILE 28 N -3.40 3.05 -0.01 -0.61 -1.09 0.87 -5.02 121.20 114.99 1pa3 s ILE 28 Ca 0.42 -0.61 -0.21 0.00 -2.23 0.00 0.00 60.65 58.02 1pa3 s ILE 28 Cb -0.15 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 1pa3 s ILE 28 CO 0.85 0.47 0.60 -1.61 -1.23 0.00 0.00 174.94 174.02 1pa3 s GLU 29 N 1.20 4.33 0.35 2.79 0.41 -1.26 -4.71 118.70 121.81 1pa3 s GLU 29 Ca 0.02 0.74 0.00 0.00 -0.41 0.00 0.00 54.97 55.32 1pa3 s GLU 29 Cb -0.14 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 1pa3 s GLU 29 CO -0.03 0.34 0.45 2.48 -0.49 0.00 0.00 175.26 178.01 1pa3 n TYR 30 N 2.81 -1.33 -3.97 1.61 4.11 -1.26 -4.79 117.16 114.35 1pa3 n TYR 30 Ca -0.06 -2.50 -0.35 0.00 -0.00 0.00 0.00 57.90 54.98 1pa3 n TYR 30 Cb 0.51 0.51 -0.10 0.00 -0.00 0.00 0.00 39.34 40.26 1pa3 n TYR 30 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1pa3 s THR 31 N -2.94 4.76 -0.99 -3.48 2.01 0.48 -5.01 115.64 110.47 1pa3 s THR 31 Ca 0.32 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1pa3 s THR 31 Cb -0.00 -3.16 0.23 0.00 0.01 0.00 0.00 72.50 69.58 1pa3 s THR 31 CO 0.23 0.44 1.00 -0.62 -0.69 0.00 0.00 174.62 174.97 1pa3 s ASP 32 N 0.55 7.01 -0.26 3.53 3.68 -1.26 -0.97 116.67 128.94 1pa3 s ASP 32 Ca 0.03 -3.03 -0.29 0.00 2.13 0.00 0.00 52.55 51.39 1pa3 s ASP 32 Cb -0.13 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.10 1pa3 s ASP 32 CO 0.01 -0.51 1.22 -0.54 0.13 0.00 0.00 175.17 175.47 1pa3 s LYS 33 N -0.09 4.06 -0.31 4.34 -0.14 0.04 -5.00 119.74 122.65 1pa3 s LYS 33 Ca 0.27 1.32 -0.02 0.00 -1.36 0.00 0.00 55.97 56.18 1pa3 s LYS 33 Cb -0.09 -3.80 0.06 0.00 -1.68 0.00 0.00 37.83 32.32 1pa3 s LYS 33 CO -0.08 -0.92 0.01 1.03 -0.76 0.00 0.00 175.35 174.63 1pa3 s ARG 34 N 3.80 2.37 0.32 1.68 0.52 -1.26 -2.16 118.95 124.23 1pa3 s ARG 34 Ca 0.52 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 1pa3 s ARG 34 Cb -0.17 -3.19 -0.11 0.00 0.52 0.00 0.00 34.95 31.99 1pa3 s ARG 34 CO 0.18 -0.65 1.58 -0.06 0.02 0.00 0.00 175.30 176.36 1pa3 s PHE 35 N 1.23 2.67 0.00 -0.53 2.99 0.13 -2.62 117.98 121.84 1pa3 s PHE 35 Ca -0.04 0.88 0.00 0.00 0.00 0.00 0.00 56.93 57.76 1pa3 s PHE 35 Cb -0.20 -4.08 0.00 0.00 0.00 0.00 0.00 43.02 38.74 1pa3 s PHE 35 CO -0.02 -3.51 0.00 0.41 -0.00 0.00 0.00 175.22 172.11 1pa3 n GLY 36 N 1.63 0.47 0.19 4.36 0.00 -1.26 -1.97 105.19 108.61 1pa3 n GLY 36 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1pa3 n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pa3 h VAL 37 N 0.00 0.00 0.00 1.61 2.07 -1.92 -3.39 116.25 114.62 1pa3 h VAL 37 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1pa3 h VAL 37 Cb 0.00 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1pa3 h VAL 37 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 1pa3 n ASN 38 N -2.51 0.00 -0.65 0.57 3.02 -1.26 -5.14 115.26 109.28 1pa3 n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pa3 n ASN 38 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1pa3 n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pa3 n GLY 39 N 4.37 1.41 3.65 7.41 0.00 -1.26 -4.97 105.19 115.80 1pa3 n GLY 39 Ca 0.00 -1.92 -0.52 0.00 0.00 0.00 0.00 46.02 43.59 1pa3 n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pa3 n ASP 40 N 0.00 2.90 -0.35 1.61 2.03 -1.26 -4.19 116.55 117.29 1pa3 n ASP 40 Ca 0.00 0.89 0.10 0.00 0.52 0.00 0.00 54.79 56.30 1pa3 n ASP 40 Cb 0.00 -1.29 0.28 0.00 -0.72 0.00 0.00 41.12 39.39 1pa3 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa3 h ALA 41 N 9.30 1.58 0.00 -1.67 0.00 -1.88 0.36 119.26 126.95 1pa3 h ALA 41 Ca -0.44 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1pa3 h ALA 41 Cb 1.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1pa3 h ALA 41 CO 0.97 0.07 -0.08 0.74 0.00 0.00 0.00 179.25 180.94 1pa3 h PHE 42 N 0.86 0.00 0.23 0.00 -1.00 -1.95 -1.94 116.94 113.13 1pa3 h PHE 42 Ca 0.54 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.31 1pa3 h PHE 42 Cb 0.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.27 1pa3 h PHE 42 CO -0.01 0.08 -0.11 0.28 -1.61 0.00 0.00 178.31 176.94 1pa3 h VAL 43 N 0.00 0.76 -0.71 -0.55 2.07 -0.64 -0.87 116.25 116.31 1pa3 h VAL 43 Ca -0.00 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1pa3 h VAL 43 Cb 0.49 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1pa3 h VAL 43 CO 0.01 0.17 0.42 -0.33 0.02 0.00 0.00 177.57 177.86 1pa3 h GLU 44 N -0.82 0.75 -0.39 1.57 5.08 -1.39 0.97 114.58 120.35 1pa3 h GLU 44 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1pa3 h GLU 44 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1pa3 h GLU 44 CO 0.05 0.50 0.25 0.35 -1.00 0.00 0.00 179.01 179.16 1pa3 h PHE 45 N 0.77 0.50 -0.38 4.33 -0.00 -1.37 0.66 116.94 121.45 1pa3 h PHE 45 Ca 0.31 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 58.23 1pa3 h PHE 45 Cb 0.15 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 35.91 1pa3 h PHE 45 CO -0.06 0.33 0.01 -0.22 -0.00 0.00 0.00 178.31 178.38 1pa3 h LYS 46 N 0.52 0.59 -0.02 1.11 3.64 -0.26 -0.48 116.57 121.67 1pa3 h LYS 46 Ca 0.14 -0.13 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 1pa3 h LYS 46 Cb -0.04 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1pa3 h LYS 46 CO -0.03 0.61 -0.94 -0.91 -2.27 0.00 0.00 179.45 175.91 1pa3 h ASN 47 N 0.57 0.68 -0.77 4.20 -0.26 -0.28 -3.20 115.58 116.52 1pa3 h ASN 47 Ca 0.12 -0.53 0.07 0.00 -0.56 0.00 0.00 56.30 55.40 1pa3 h ASN 47 Cb 0.34 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.33 1pa3 h ASN 47 CO 0.01 1.32 0.45 0.15 -1.06 0.00 0.00 177.43 178.30 1pa3 h PHE 48 N 0.31 0.83 0.00 1.19 3.04 0.11 0.75 116.94 123.18 1pa3 h PHE 48 Ca -0.09 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1pa3 h PHE 48 Cb 1.57 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.82 1pa3 h PHE 48 CO 0.07 0.40 0.00 1.63 -2.02 0.00 0.00 178.31 178.39 1pa3 n LYS 49 N -4.71 0.11 -0.07 1.11 5.02 -0.27 -1.25 118.16 118.10 1pa3 n LYS 49 Ca 0.11 0.45 -0.22 0.00 -2.02 0.00 0.00 58.31 56.63 1pa3 n LYS 49 Cb 0.19 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.32 1pa3 n LYS 49 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pa3 n LYS 50 N -1.97 0.63 0.13 1.97 5.02 0.20 -4.37 118.16 119.78 1pa3 n LYS 50 Ca 0.01 0.46 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1pa3 n LYS 50 Cb 0.13 -1.73 0.12 0.00 -0.02 0.00 0.00 35.03 33.54 1pa3 n LYS 50 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pa3 h GLU 51 N -0.64 0.00 -5.86 1.97 5.08 -1.25 -3.44 114.58 110.44 1pa3 h GLU 51 Ca -0.39 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.29 1pa3 h GLU 51 Cb 1.56 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.53 1pa3 h GLU 51 CO -0.12 0.64 -0.82 0.15 -1.00 0.00 0.00 179.01 177.86 1pa3 s LYS 52 N -3.31 2.81 -0.72 2.33 3.01 -0.38 -5.07 119.74 118.41 1pa3 s LYS 52 Ca 0.00 -0.78 -0.24 0.00 -1.01 0.00 0.00 55.97 53.94 1pa3 s LYS 52 Cb 0.11 -2.37 0.06 0.00 -1.01 0.00 0.00 37.83 34.62 1pa3 s LYS 52 CO 0.76 0.39 1.12 0.34 0.51 0.00 0.00 175.35 178.47 1pa3 s ASP 53 N -0.14 6.20 0.03 2.83 -1.08 -1.26 -4.58 116.67 118.67 1pa3 s ASP 53 Ca -0.02 -0.85 -0.10 0.00 -0.52 0.00 0.00 52.55 51.06 1pa3 s ASP 53 Cb -0.14 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 38.79 1pa3 s ASP 53 CO 0.04 -1.59 0.36 0.42 0.52 0.00 0.00 175.17 174.92 1pa3 s THR 54 N 4.71 5.15 0.19 1.71 -4.23 -1.26 -5.00 115.64 116.91 1pa3 s THR 54 Ca 0.29 0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1pa3 s THR 54 Cb -0.12 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.15 1pa3 s THR 54 CO 0.10 0.39 1.64 -0.65 -0.54 0.00 0.00 174.62 175.56 1pa3 h PRO 55 N 4.06 1.01 0.00 3.99 0.11 -1.95 -3.34 132.00 135.88 1pa3 h PRO 55 Ca -0.50 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.27 1pa3 h PRO 55 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pa3 h PRO 55 CO 0.65 1.02 -0.12 1.19 -0.21 0.00 0.00 178.00 180.52 1pa3 n PHE 56 N -4.16 0.00 -2.84 0.65 3.01 -1.26 -5.01 117.46 107.85 1pa3 n PHE 56 Ca 0.02 -0.29 -0.21 0.00 1.01 0.00 0.00 57.45 57.99 1pa3 n PHE 56 Cb 0.37 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.80 1pa3 n PHE 56 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1pa3 n GLU 57 N -0.36 -3.45 -4.39 -1.08 1.02 -1.26 -4.98 120.64 106.14 1pa3 n GLU 57 Ca 0.03 0.81 -0.23 0.00 -0.02 0.00 0.00 57.16 57.75 1pa3 n GLU 57 Cb 0.51 -5.56 -0.11 0.00 -0.02 0.00 0.00 31.44 26.26 1pa3 n GLU 57 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1pa3 s GLN 58 N -5.49 1.43 0.35 3.49 -0.21 -1.26 -5.12 119.66 112.85 1pa3 s GLN 58 Ca 0.20 -1.54 0.09 0.00 0.02 0.00 0.00 55.36 54.13 1pa3 s GLN 58 Cb -0.09 -1.54 -0.06 0.00 1.00 0.00 0.00 33.01 32.32 1pa3 s GLN 58 CO 0.25 0.31 -0.04 0.14 -2.12 0.00 0.00 175.29 173.82 1pa3 s VAL 59 N -2.14 2.39 0.65 1.09 -7.23 -1.26 -4.61 120.40 109.29 1pa3 s VAL 59 Ca 0.21 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 1pa3 s VAL 59 Cb -0.06 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1pa3 s VAL 59 CO 0.09 -0.19 1.07 -2.16 -0.31 0.00 0.00 175.10 173.61 1pa3 s PRO 60 N -3.66 2.98 0.01 4.82 0.04 -1.26 -4.97 135.00 132.96 1pa3 s PRO 60 Ca 0.34 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.60 1pa3 s PRO 60 Cb 0.02 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1pa3 s PRO 60 CO 0.18 -1.08 -0.13 0.96 0.04 0.00 0.00 177.00 176.97 1pa3 s ILE 61 N -2.63 1.01 -0.16 0.56 -4.36 -1.19 -4.54 121.20 109.89 1pa3 s ILE 61 Ca 0.63 -0.76 -0.00 0.00 -0.26 0.00 0.00 60.65 60.26 1pa3 s ILE 61 Cb -0.17 -0.89 -0.00 0.00 1.25 0.00 0.00 42.46 42.66 1pa3 s ILE 61 CO 0.45 0.12 -0.14 -0.22 0.24 0.00 0.00 174.94 175.39 1pa3 s LEU 62 N -0.72 2.49 -0.31 0.37 1.98 -0.31 -1.82 118.68 120.36 1pa3 s LEU 62 Ca 0.03 -0.47 -0.08 0.00 -2.89 0.00 0.00 54.13 50.71 1pa3 s LEU 62 Cb -0.06 -1.58 0.01 0.00 0.66 0.00 0.00 46.19 45.22 1pa3 s LEU 62 CO 0.00 0.07 0.11 -1.58 -1.89 0.00 0.00 176.35 173.06 1pa3 s GLN 63 N 0.92 3.12 -0.28 1.98 0.74 -0.02 -0.28 119.66 125.84 1pa3 s GLN 63 Ca -0.03 -0.85 -0.05 0.00 0.05 0.00 0.00 55.36 54.49 1pa3 s GLN 63 Cb -0.15 -3.46 0.02 0.00 1.10 0.00 0.00 33.01 30.52 1pa3 s GLN 63 CO -0.02 -0.46 0.03 0.42 -0.55 0.00 0.00 175.29 174.71 1pa3 s ILE 64 N 1.53 3.52 0.00 -2.34 1.01 -0.68 -1.67 121.20 122.58 1pa3 s ILE 64 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1pa3 s ILE 64 Cb -0.17 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1pa3 s ILE 64 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1pa3 n GLY 65 N 4.78 4.20 0.50 6.18 0.00 -1.26 -1.38 105.19 118.21 1pa3 n GLY 65 Ca -0.15 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1pa3 n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pa3 n ASP 66 N 8.23 1.99 -4.83 1.61 8.00 -1.26 -4.95 116.55 125.35 1pa3 n ASP 66 Ca 0.00 -1.49 -0.37 0.00 0.71 0.00 0.00 54.79 53.63 1pa3 n ASP 66 Cb 0.00 0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1pa3 n ASP 66 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1pa3 s LEU 67 N -2.23 4.40 -0.14 0.64 0.05 -0.48 -5.08 118.68 115.84 1pa3 s LEU 67 Ca 0.17 0.69 -0.04 0.00 0.05 0.00 0.00 54.13 55.01 1pa3 s LEU 67 Cb 0.16 -2.36 -0.03 0.00 -2.05 0.00 0.00 46.19 41.91 1pa3 s LEU 67 CO 0.47 0.31 -0.00 0.27 -0.55 0.00 0.00 176.35 176.85 1pa3 s ILE 68 N -0.72 4.22 -0.02 1.48 -5.25 -1.26 -1.69 121.20 117.96 1pa3 s ILE 68 Ca 0.19 -0.25 0.00 0.00 -0.99 0.00 0.00 60.65 59.60 1pa3 s ILE 68 Cb -0.14 -2.83 -0.04 0.00 2.95 0.00 0.00 42.46 42.40 1pa3 s ILE 68 CO 0.08 0.53 0.02 -0.76 -1.79 0.00 0.00 174.94 173.01 1pa3 s LEU 69 N -0.07 3.61 -0.03 0.37 1.43 0.61 -4.95 118.68 119.65 1pa3 s LEU 69 Ca 0.03 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1pa3 s LEU 69 Cb -0.13 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1pa3 s LEU 69 CO 0.02 0.30 -0.01 0.00 0.23 0.00 0.00 176.35 176.89 1pa3 n ALA 70 N 1.53 1.94 -2.48 4.21 0.00 -1.26 -1.16 120.51 123.29 1pa3 n ALA 70 Ca -0.15 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1pa3 n ALA 70 Cb 0.53 0.37 -0.09 0.00 0.00 0.00 0.00 19.45 20.26 1pa3 n ALA 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pa3 s GLN 71 N -2.05 3.08 0.14 0.00 2.00 -1.26 -4.53 119.66 117.04 1pa3 s GLN 71 Ca -0.03 -0.81 -0.06 0.00 -2.00 0.00 0.00 55.36 52.46 1pa3 s GLN 71 Cb 0.01 -3.96 0.21 0.00 0.80 0.00 0.00 33.01 30.07 1pa3 s GLN 71 CO 0.07 -0.82 0.86 -1.13 -0.50 0.00 0.00 175.29 173.77 1pa3 n SER 72 N 5.49 -0.25 -0.07 6.67 3.41 -1.26 0.87 113.62 128.47 1pa3 n SER 72 Ca -0.08 0.95 -0.10 0.00 -0.26 0.00 0.00 58.87 59.38 1pa3 n SER 72 Cb 0.47 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1pa3 n SER 72 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pa3 h GLN 73 N 0.00 0.36 0.00 4.33 4.20 -1.93 -0.32 115.11 121.75 1pa3 h GLN 73 Ca 0.24 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1pa3 h GLN 73 Cb 0.38 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1pa3 h GLN 73 CO -0.56 0.40 -0.16 0.00 -0.67 0.00 0.00 178.83 177.84 1pa3 h ALA 74 N 0.95 1.64 -0.07 3.87 0.00 0.06 -1.95 119.26 123.75 1pa3 h ALA 74 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1pa3 h ALA 74 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pa3 h ALA 74 CO -0.01 0.19 -0.25 0.82 0.00 0.00 0.00 179.25 180.01 1pa3 h ILE 75 N 0.00 1.43 -0.51 0.00 5.03 -0.18 -2.09 117.51 121.19 1pa3 h ILE 75 Ca -0.00 -1.64 -0.01 0.00 -0.12 0.00 0.00 64.86 63.09 1pa3 h ILE 75 Cb 0.29 2.31 -0.02 0.00 -3.03 0.00 0.00 36.82 36.37 1pa3 h ILE 75 CO 0.02 0.47 0.28 -0.37 -0.68 0.00 0.00 178.15 177.86 1pa3 h VAL 76 N -0.22 1.18 -0.95 1.67 -1.51 -0.75 0.63 116.25 116.29 1pa3 h VAL 76 Ca -0.01 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1pa3 h VAL 76 Cb 0.88 0.55 -0.05 0.00 -2.13 0.00 0.00 31.29 30.54 1pa3 h VAL 76 CO 0.05 0.19 0.61 0.03 -1.23 0.00 0.00 177.57 177.22 1pa3 h ARG 77 N 0.68 1.27 0.38 5.19 3.08 -1.42 0.16 114.38 123.71 1pa3 h ARG 77 Ca 0.18 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1pa3 h ARG 77 Cb 0.06 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1pa3 h ARG 77 CO -0.03 0.86 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.63 1pa3 h TYR 78 N 1.30 -0.47 -0.80 3.04 5.03 -0.70 -2.09 116.97 122.27 1pa3 h TYR 78 Ca 0.35 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.70 1pa3 h TYR 78 Cb -0.11 0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.27 1pa3 h TYR 78 CO 0.00 -0.22 0.49 -0.07 -1.32 0.00 0.00 178.16 177.05 1pa3 h LEU 79 N -0.65 0.77 -1.24 2.82 4.07 -0.60 -2.07 115.31 118.41 1pa3 h LEU 79 Ca -0.05 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1pa3 h LEU 79 Cb 0.47 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.03 1pa3 h LEU 79 CO 0.09 0.50 0.49 0.28 -1.08 0.00 0.00 178.44 178.71 1pa3 h SER 80 N 0.91 0.87 0.01 -0.43 0.02 -0.49 -0.37 113.55 114.07 1pa3 h SER 80 Ca 0.35 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1pa3 h SER 80 Cb 0.15 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1pa3 h SER 80 CO -0.16 0.64 -0.01 0.11 -1.14 0.00 0.00 176.83 176.27 1pa3 h LYS 81 N 1.02 -0.02 -0.23 3.45 1.57 -0.99 -1.17 116.57 120.20 1pa3 h LYS 81 Ca 0.27 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 1pa3 h LYS 81 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1pa3 h LYS 81 CO -0.06 0.49 0.17 -0.22 -0.57 0.00 0.00 179.45 179.27 1pa3 h LYS 82 N -0.53 0.00 -0.14 3.15 3.64 -1.04 -2.76 116.57 118.89 1pa3 h LYS 82 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pa3 h LYS 82 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1pa3 h LYS 82 CO 0.00 0.00 -0.04 0.66 -2.27 0.00 0.00 179.45 177.81 1pa3 n TYR 83 N -4.41 0.48 -3.57 1.91 4.02 -0.18 -5.03 117.16 110.38 1pa3 n TYR 83 Ca 0.03 -1.03 -0.26 0.00 -0.01 0.00 0.00 57.90 56.62 1pa3 n TYR 83 Cb 0.32 -0.25 0.05 0.00 -0.02 0.00 0.00 39.34 39.44 1pa3 n TYR 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pa3 n ASN 84 N -1.01 -5.25 -1.19 7.72 3.02 -0.70 -4.91 115.26 112.93 1pa3 n ASN 84 Ca 0.20 -0.92 0.02 0.00 -0.03 0.00 0.00 54.58 53.85 1pa3 n ASN 84 Cb 0.78 -3.91 0.01 0.00 -0.61 0.00 0.00 39.78 36.05 1pa3 n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pa3 n ILE 85 N -3.95 0.00 -0.09 2.41 -5.35 -0.53 -4.76 119.36 107.10 1pa3 n ILE 85 Ca -0.11 -0.64 0.08 0.00 -0.27 0.00 0.00 62.75 61.80 1pa3 n ILE 85 Cb 0.61 0.81 0.18 0.00 -1.74 0.00 0.00 39.64 39.49 1pa3 n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pa3 n GLY 87 N 0.87 2.28 0.56 0.00 0.00 -1.26 -3.83 105.19 103.80 1pa3 n GLY 87 Ca 0.14 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.30 1pa3 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pa3 n GLU 88 N 1.39 2.58 -4.03 1.61 1.02 -1.26 -4.78 120.64 117.16 1pa3 n GLU 88 Ca 0.00 -2.45 -0.10 0.00 -0.02 0.00 0.00 57.16 54.59 1pa3 n GLU 88 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 1pa3 n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1pa3 s SER 89 N -1.81 0.05 0.02 1.62 1.04 -1.26 -5.03 113.70 108.33 1pa3 s SER 89 Ca 0.31 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.44 1pa3 s SER 89 Cb 0.24 0.57 -0.18 0.00 0.10 0.00 0.00 66.02 66.75 1pa3 s SER 89 CO 0.08 -1.13 1.46 -0.33 0.98 0.00 0.00 173.24 174.30 1pa3 h GLU 90 N 2.28 0.01 -0.18 4.02 5.08 -1.98 -1.05 114.58 122.76 1pa3 h GLU 90 Ca -0.28 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1pa3 h GLU 90 Cb 1.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1pa3 h GLU 90 CO 0.38 0.30 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.58 1pa3 h LEU 91 N -0.28 -0.16 -1.20 1.33 4.07 -1.99 -0.84 115.31 116.24 1pa3 h LEU 91 Ca 0.00 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1pa3 h LEU 91 Cb 0.30 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1pa3 h LEU 91 CO 0.00 -0.06 0.20 0.78 -1.08 0.00 0.00 178.44 178.28 1pa3 h ASN 92 N 0.00 0.69 -0.23 -0.43 -0.26 -1.93 0.16 115.58 113.60 1pa3 h ASN 92 Ca 0.09 -0.09 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1pa3 h ASN 92 Cb 0.13 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1pa3 h ASN 92 CO -0.19 0.63 -0.07 -0.08 -1.06 0.00 0.00 177.43 176.67 1pa3 h GLU 93 N 0.75 0.58 -0.21 0.81 4.81 -0.78 -1.41 114.58 119.14 1pa3 h GLU 93 Ca 0.18 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1pa3 h GLU 93 Cb 0.17 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1pa3 h GLU 93 CO -0.02 0.66 -0.24 0.35 -0.73 0.00 0.00 179.01 179.03 1pa3 h PHE 94 N 0.54 0.64 -0.54 0.92 3.57 0.24 -2.56 116.94 119.75 1pa3 h PHE 94 Ca 0.11 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1pa3 h PHE 94 Cb 0.45 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1pa3 h PHE 94 CO 0.02 0.89 0.34 1.88 -2.23 0.00 0.00 178.31 179.21 1pa3 h TYR 95 N 0.20 0.69 -0.33 0.41 0.05 -0.37 0.16 116.97 117.79 1pa3 h TYR 95 Ca 0.03 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.87 1pa3 h TYR 95 Cb 0.80 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 1pa3 h TYR 95 CO 0.08 0.45 0.06 0.00 -1.05 0.00 0.00 178.16 177.70 1pa3 h ALA 96 N 1.18 0.34 -0.29 3.88 0.00 -1.29 0.16 119.26 123.24 1pa3 h ALA 96 Ca 0.20 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1pa3 h ALA 96 Cb -0.05 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1pa3 h ALA 96 CO -0.04 -0.35 -0.01 0.22 0.00 0.00 0.00 179.25 179.07 1pa3 h ASP 97 N 0.17 -0.13 -0.16 0.00 1.82 -0.93 0.21 116.42 117.40 1pa3 h ASP 97 Ca 0.16 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1pa3 h ASP 97 Cb 0.18 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1pa3 h ASP 97 CO -0.21 -0.03 0.09 -0.03 -1.61 0.00 0.00 179.24 177.44 1pa3 h MET 98 N 0.08 0.18 -1.00 0.28 4.05 0.26 -0.58 114.93 118.20 1pa3 h MET 98 Ca 0.14 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.59 1pa3 h MET 98 Cb 0.19 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.89 1pa3 h MET 98 CO -0.24 0.12 0.65 0.82 0.23 0.00 0.00 176.91 178.49 1pa3 h ILE 99 N 0.19 1.15 -0.51 1.77 1.08 -0.34 -1.73 117.51 119.12 1pa3 h ILE 99 Ca 0.06 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1pa3 h ILE 99 Cb -0.00 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.53 1pa3 h ILE 99 CO -0.03 0.23 0.24 0.15 -0.69 0.00 0.00 178.15 178.04 1pa3 h PHE 100 N 1.24 0.74 -0.69 1.37 3.57 -0.32 -1.40 116.94 121.45 1pa3 h PHE 100 Ca 0.41 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.89 1pa3 h PHE 100 Cb 0.05 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 1pa3 h PHE 100 CO -0.00 0.59 0.44 0.00 -2.23 0.00 0.00 178.31 177.11 1pa3 h GLY 102 N 0.89 1.36 1.24 0.00 0.00 -0.98 -2.08 103.07 103.49 1pa3 h GLY 102 Ca 0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1pa3 h GLY 102 CO -0.09 0.56 0.40 -2.08 0.00 0.00 0.00 176.54 175.34 1pa3 h VAL 103 N 1.28 1.21 -0.52 4.60 2.07 -0.53 -2.68 116.25 121.69 1pa3 h VAL 103 Ca 0.33 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1pa3 h VAL 103 Cb -0.03 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1pa3 h VAL 103 CO -0.06 0.24 0.15 1.56 0.02 0.00 0.00 177.57 179.47 1pa3 h GLN 104 N 1.01 0.82 -0.38 1.57 4.20 -0.70 0.15 115.11 121.78 1pa3 h GLN 104 Ca 0.26 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1pa3 h GLN 104 Cb 0.01 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1pa3 h GLN 104 CO -0.04 0.77 0.19 -0.44 -0.67 0.00 0.00 178.83 178.64 1pa3 h ASP 105 N 0.72 0.27 1.47 1.46 3.32 -1.12 -0.17 116.42 122.37 1pa3 h ASP 105 Ca 0.17 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1pa3 h ASP 105 Cb 0.30 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1pa3 h ASP 105 CO -0.00 0.20 -0.54 -0.29 -1.72 0.00 0.00 179.24 176.89 1pa3 h ILE 106 N 0.39 0.19 -0.18 0.35 2.10 -1.41 -2.69 117.51 116.26 1pa3 h ILE 106 Ca 0.16 -1.30 -0.15 0.00 1.08 0.00 0.00 64.86 64.66 1pa3 h ILE 106 Cb 0.07 1.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1pa3 h ILE 106 CO -0.12 0.11 -0.50 -0.74 -1.08 0.00 0.00 178.15 175.82 1pa3 h HIS 107 N 0.00 0.59 -0.22 2.19 2.76 -0.37 -1.18 115.15 118.92 1pa3 h HIS 107 Ca -0.02 -0.20 -0.07 0.00 -2.20 0.00 0.00 60.37 57.89 1pa3 h HIS 107 Cb 1.12 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1pa3 h HIS 107 CO 0.00 0.89 -0.13 -0.92 -1.30 0.00 0.00 177.93 176.47 1pa3 h TYR 108 N 0.38 0.55 -0.93 5.26 3.20 -1.03 -2.12 116.97 122.28 1pa3 h TYR 108 Ca 0.02 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.81 1pa3 h TYR 108 Cb 1.02 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.10 1pa3 h TYR 108 CO 0.04 0.77 0.59 0.87 -1.64 0.00 0.00 178.16 178.79 1pa3 h LYS 109 N 0.18 1.04 -0.06 1.82 1.57 -1.30 -1.83 116.57 117.98 1pa3 h LYS 109 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pa3 h LYS 109 Cb 0.64 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1pa3 h LYS 109 CO 0.04 0.69 0.03 0.35 -0.57 0.00 0.00 179.45 179.99 1pa3 h PHE 110 N 1.07 0.09 0.00 -1.35 3.04 -1.02 -2.04 116.94 116.73 1pa3 h PHE 110 Ca 0.41 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.35 1pa3 h PHE 110 Cb 0.17 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1pa3 h PHE 110 CO -0.02 0.18 0.00 0.09 -2.02 0.00 0.00 178.31 176.54 1pa3 n ASN 111 N -4.98 0.00 -0.09 0.41 4.13 -0.82 -2.00 115.26 111.91 1pa3 n ASN 111 Ca -0.06 -1.07 0.03 0.00 1.68 0.00 0.00 54.58 55.16 1pa3 n ASN 111 Cb 0.09 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.38 1pa3 n ASN 111 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1pa3 n ASN 112 N -0.67 2.22 -4.31 6.41 5.15 -0.73 -4.97 115.26 118.36 1pa3 n ASN 112 Ca 0.05 -2.30 -0.34 0.00 -0.60 0.00 0.00 54.58 51.40 1pa3 n ASN 112 Cb 0.02 -0.14 -0.14 0.00 -0.53 0.00 0.00 39.78 38.99 1pa3 n ASN 112 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1pa3 s THR 113 N -1.52 3.01 0.31 -0.44 -4.23 -0.85 -5.00 115.64 106.92 1pa3 s THR 113 Ca 0.11 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 1pa3 s THR 113 Cb 0.09 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 1pa3 s THR 113 CO 0.02 0.49 0.32 0.54 -0.54 0.00 0.00 174.62 175.46 1pa3 s ASN 114 N 0.84 1.15 0.09 3.99 2.20 -1.26 -4.88 114.94 117.07 1pa3 s ASN 114 Ca -0.04 -1.59 -0.21 0.00 -0.94 0.00 0.00 52.86 50.08 1pa3 s ASN 114 Cb -0.15 0.56 -0.11 0.00 -2.00 0.00 0.00 41.25 39.55 1pa3 s ASN 114 CO 0.00 -1.10 1.66 0.25 -2.94 0.00 0.00 177.10 174.97 1pa3 h LEU 115 N 2.21 0.17 -0.36 3.54 7.12 -1.99 -3.04 115.31 122.96 1pa3 h LEU 115 Ca -0.28 -0.12 0.03 0.00 0.13 0.00 0.00 57.88 57.65 1pa3 h LEU 115 Cb 1.24 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.29 1pa3 h LEU 115 CO 0.40 0.24 0.15 0.15 -0.13 0.00 0.00 178.44 179.25 1pa3 h PHE 116 N 0.09 0.28 0.00 1.25 3.57 -2.03 -2.21 116.94 117.89 1pa3 h PHE 116 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1pa3 h PHE 116 Cb 0.11 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1pa3 h PHE 116 CO -0.03 0.14 0.00 1.63 -2.23 0.00 0.00 178.31 177.82 1pa3 n LYS 117 N -4.97 0.05 -3.33 1.11 5.02 -1.21 -4.84 118.16 109.98 1pa3 n LYS 117 Ca 0.01 0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 56.25 1pa3 n LYS 117 Cb 0.11 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1pa3 n LYS 117 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pa3 n GLN 118 N -1.46 -4.42 0.07 1.97 6.02 -0.83 -4.87 117.38 113.86 1pa3 n GLN 118 Ca 0.05 0.66 -0.21 0.00 -0.01 0.00 0.00 57.00 57.49 1pa3 n GLN 118 Cb 0.19 -5.47 -0.15 0.00 1.02 0.00 0.00 30.24 25.83 1pa3 n GLN 118 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1pa3 h ASN 119 N -1.35 0.55 -0.36 1.08 4.21 -1.81 -3.43 115.58 114.47 1pa3 h ASN 119 Ca -0.49 -0.95 0.03 0.00 1.21 0.00 0.00 56.30 56.10 1pa3 h ASN 119 Cb 1.33 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 38.31 1pa3 h ASN 119 CO 0.57 1.47 -0.21 -0.62 -1.29 0.00 0.00 177.43 177.35 1pa3 n GLU 120 N -4.03 -0.16 0.26 0.81 1.02 -1.26 -1.85 120.64 115.43 1pa3 n GLU 120 Ca -0.15 0.91 0.12 0.00 -0.02 0.00 0.00 57.16 58.01 1pa3 n GLU 120 Cb 0.89 -1.34 0.71 0.00 -0.02 0.00 0.00 31.44 31.67 1pa3 n GLU 120 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1pa3 h THR 121 N 0.00 0.64 0.00 2.62 1.35 -1.96 -1.56 112.91 114.00 1pa3 h THR 121 Ca 0.06 -0.52 -0.16 0.00 -0.55 0.00 0.00 66.41 65.24 1pa3 h THR 121 Cb 0.15 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1pa3 h THR 121 CO -0.34 0.12 -0.77 0.71 -0.25 0.00 0.00 175.52 175.00 1pa3 h THR 122 N 0.00 1.51 -0.19 6.82 1.35 -1.66 -1.57 112.91 119.18 1pa3 h THR 122 Ca -0.00 -2.65 -0.07 0.00 -0.55 0.00 0.00 66.41 63.13 1pa3 h THR 122 Cb 0.32 2.45 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1pa3 h THR 122 CO 0.02 0.75 -0.18 0.15 -0.25 0.00 0.00 175.52 176.01 1pa3 h PHE 123 N 0.00 0.54 0.00 4.73 3.04 -0.75 0.67 116.94 125.17 1pa3 h PHE 123 Ca -0.01 -0.16 -0.08 0.00 3.98 0.00 0.00 57.97 61.70 1pa3 h PHE 123 Cb 1.38 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 1pa3 h PHE 123 CO 0.00 0.81 -0.38 -0.07 -2.02 0.00 0.00 178.31 176.65 1pa3 h LEU 124 N 0.11 0.00 0.03 0.59 3.38 -1.39 0.47 115.31 118.50 1pa3 h LEU 124 Ca 0.03 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.61 1pa3 h LEU 124 Cb 0.71 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1pa3 h LEU 124 CO 0.04 0.38 -2.29 0.59 0.09 0.00 0.00 178.44 177.26 1pa3 n ASN 125 N -3.62 2.00 -0.09 -0.43 3.02 -0.59 -4.50 115.26 111.05 1pa3 n ASN 125 Ca -0.01 0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.51 1pa3 n ASN 125 Cb 0.49 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 1pa3 n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pa3 n GLU 126 N -3.60 0.53 0.30 3.52 1.02 0.22 -4.67 120.64 117.95 1pa3 n GLU 126 Ca -0.44 0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 56.86 1pa3 n GLU 126 Cb 0.96 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.83 1pa3 n GLU 126 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pa3 h ASP 127 N -1.00 -0.67 -0.28 1.62 5.19 -1.38 -3.21 116.42 116.69 1pa3 h ASP 127 Ca -0.09 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.41 1pa3 h ASP 127 Cb 1.00 0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.62 1pa3 h ASP 127 CO -0.06 -0.38 -0.19 0.25 -3.12 0.00 0.00 179.24 175.74 1pa3 h LEU 128 N -0.98 -0.63 -1.73 1.55 7.12 -1.18 -1.92 115.31 117.54 1pa3 h LEU 128 Ca -0.08 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1pa3 h LEU 128 Cb 0.61 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 1pa3 h LEU 128 CO 0.13 -0.23 0.11 -0.65 -0.13 0.00 0.00 178.44 177.67 1pa3 h PRO 129 N -0.17 0.28 -0.40 5.25 0.11 -1.79 0.32 132.00 135.59 1pa3 h PRO 129 Ca 0.15 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 1pa3 h PRO 129 Cb 0.40 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1pa3 h PRO 129 CO -0.38 0.22 -0.29 -0.22 -0.21 0.00 0.00 178.00 177.11 1pa3 h LYS 130 N 0.29 0.88 0.13 1.05 3.64 -1.40 -2.42 116.57 118.74 1pa3 h LYS 130 Ca 0.08 -0.40 -0.27 0.00 -1.27 0.00 0.00 60.65 58.79 1pa3 h LYS 130 Cb 0.02 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1pa3 h LYS 130 CO -0.01 1.05 -1.13 -1.49 -2.27 0.00 0.00 179.45 175.59 1pa3 h TRP 131 N 0.74 0.89 -0.18 1.91 4.06 -0.70 -3.01 115.95 119.65 1pa3 h TRP 131 Ca 0.08 -0.58 0.05 0.00 2.06 0.00 0.00 58.89 60.51 1pa3 h TRP 131 Cb 0.85 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 1pa3 h TRP 131 CO 0.05 1.43 0.14 0.77 -3.56 0.00 0.00 178.44 177.26 1pa3 h SER 132 N 0.10 0.00 -0.06 -3.49 0.02 -1.00 -0.58 113.55 108.54 1pa3 h SER 132 Ca -0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1pa3 h SER 132 Cb 1.84 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.38 1pa3 h SER 132 CO 0.22 0.00 0.03 1.23 -1.14 0.00 0.00 176.83 177.16 1pa3 h GLY 133 N 0.00 0.09 0.86 -3.77 0.00 -1.31 -1.35 103.07 97.59 1pa3 h GLY 133 Ca 0.09 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1pa3 h GLY 133 CO -0.00 0.04 0.57 -0.97 0.00 0.00 0.00 176.54 176.18 1pa3 h TYR 134 N -0.04 1.07 -0.20 5.60 0.05 -1.01 -1.11 116.97 121.33 1pa3 h TYR 134 Ca 0.02 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.71 1pa3 h TYR 134 Cb 0.13 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1pa3 h TYR 134 CO -0.03 0.61 -0.39 0.74 -1.05 0.00 0.00 178.16 178.04 1pa3 h PHE 135 N 1.10 0.53 0.01 4.88 0.05 -1.32 -0.86 116.94 121.32 1pa3 h PHE 135 Ca 0.36 -0.15 -0.00 0.00 3.82 0.00 0.00 57.97 62.00 1pa3 h PHE 135 Cb 0.03 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 37.86 1pa3 h PHE 135 CO -0.02 0.77 -0.00 0.93 -0.18 0.00 0.00 178.31 179.81 1pa3 h GLU 136 N 0.38 -0.01 -0.57 1.51 4.39 -0.57 -0.89 114.58 118.82 1pa3 h GLU 136 Ca 0.04 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1pa3 h GLU 136 Cb 0.85 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.45 1pa3 h GLU 136 CO 0.07 0.23 0.26 0.87 -1.16 0.00 0.00 179.01 179.28 1pa3 h LYS 137 N -0.25 0.47 0.08 2.33 1.57 -1.08 0.43 116.57 120.11 1pa3 h LYS 137 Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1pa3 h LYS 137 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1pa3 h LYS 137 CO 0.00 0.31 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.01 1pa3 h LEU 138 N 0.49 -0.30 -1.97 2.94 3.38 -0.92 -0.16 115.31 118.76 1pa3 h LEU 138 Ca 0.27 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1pa3 h LEU 138 Cb 0.24 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1pa3 h LEU 138 CO -0.22 -0.17 -0.03 -0.07 0.09 0.00 0.00 178.44 178.05 1pa3 h LEU 139 N -0.23 0.00 -0.16 1.67 3.38 -0.77 -1.77 115.31 117.43 1pa3 h LEU 139 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1pa3 h LEU 139 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1pa3 h LEU 139 CO -0.05 0.03 -0.01 0.50 0.09 0.00 0.00 178.44 178.99 1pa3 h LYS 140 N 0.00 0.29 0.00 1.13 3.64 0.21 -1.24 116.57 120.60 1pa3 h LYS 140 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1pa3 h LYS 140 Cb 0.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1pa3 h LYS 140 CO 0.00 0.53 0.00 0.87 -2.27 0.00 0.00 179.45 178.59 1pa3 h LYS 141 N 0.02 0.00 -0.14 1.90 1.57 -0.17 0.44 116.57 120.19 1pa3 h LYS 141 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1pa3 h LYS 141 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1pa3 h LYS 141 CO 0.01 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 177.18 1pa3 n ASN 142 N -2.62 2.37 -0.95 0.86 5.15 -1.00 -5.11 115.26 113.96 1pa3 n ASN 142 Ca -0.02 -1.68 0.00 0.00 -0.60 0.00 0.00 54.58 52.28 1pa3 n ASN 142 Cb 0.06 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 1pa3 n ASN 142 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pa3 n HIS 143 N 0.70 0.00 -1.63 1.20 1.44 0.14 -4.92 115.22 112.15 1pa3 n HIS 143 Ca 0.09 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.70 1pa3 n HIS 143 Cb 0.36 -0.37 0.14 0.00 0.12 0.00 0.00 29.99 30.24 1pa3 n HIS 143 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1pa3 n LYS 150 N 1.62 2.35 0.00 -1.40 5.02 -1.26 -5.01 118.16 119.48 1pa3 n LYS 150 Ca 0.00 -3.50 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 1pa3 n LYS 150 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1pa3 n LYS 150 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pa3 n TYR 151 N -0.99 0.00 -4.05 2.13 4.02 -1.26 -4.10 117.16 112.91 1pa3 n TYR 151 Ca 0.36 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 58.13 1pa3 n TYR 151 Cb 0.92 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.13 1pa3 n TYR 151 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1pa3 s TYR 152 N -1.09 0.60 -0.03 -0.72 2.02 -1.26 -4.95 117.35 111.92 1pa3 s TYR 152 Ca 0.00 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1pa3 s TYR 152 Cb 0.00 -0.37 -0.25 0.00 -0.40 0.00 0.00 41.96 40.94 1pa3 s TYR 152 CO 0.00 -0.10 0.73 0.74 -1.57 0.00 0.00 175.55 175.36 1pa3 h PHE 153 N 4.58 0.28 -3.27 2.71 -1.00 -1.94 -3.45 116.94 114.85 1pa3 h PHE 153 Ca -0.35 -0.20 -0.43 0.00 2.81 0.00 0.00 57.97 59.80 1pa3 h PHE 153 Cb 1.20 -0.01 -0.38 0.00 3.61 0.00 0.00 35.95 40.37 1pa3 h PHE 153 CO 0.64 1.31 -0.76 0.08 -1.61 0.00 0.00 178.31 177.97 1pa3 s VAL 154 N -2.61 0.34 0.00 -0.55 1.01 -1.26 -4.84 120.40 112.50 1pa3 s VAL 154 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1pa3 s VAL 154 Cb 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1pa3 s VAL 154 CO 0.83 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.79 1pa3 n GLY 155 N 5.11 -1.52 0.96 4.51 0.00 -1.26 -4.01 105.19 108.98 1pa3 n GLY 155 Ca -0.08 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.81 1pa3 n GLY 155 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pa3 n ASN 156 N -0.81 2.81 -4.40 1.61 4.05 -1.26 -4.82 115.26 112.44 1pa3 n ASN 156 Ca 0.00 -1.95 -0.20 0.00 0.45 0.00 0.00 54.58 52.88 1pa3 n ASN 156 Cb 0.00 -0.30 -0.10 0.00 1.23 0.00 0.00 39.78 40.60 1pa3 n ASN 156 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1pa3 s ASN 157 N -1.18 2.32 0.14 1.20 3.04 -1.26 -5.06 114.94 114.15 1pa3 s ASN 157 Ca 0.36 -1.26 -0.30 0.00 0.04 0.00 0.00 52.86 51.70 1pa3 s ASN 157 Cb 0.19 -0.08 -0.07 0.00 -1.54 0.00 0.00 41.25 39.76 1pa3 s ASN 157 CO 0.26 -0.49 0.99 -0.22 -3.04 0.00 0.00 177.10 174.60 1pa3 s LEU 158 N -3.41 4.52 0.38 3.21 0.20 -1.26 -4.68 118.68 117.65 1pa3 s LEU 158 Ca 0.31 1.88 0.04 0.00 0.69 0.00 0.00 54.13 57.05 1pa3 s LEU 158 Cb 0.06 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 1pa3 s LEU 158 CO 0.12 -0.06 0.11 0.42 -0.29 0.00 0.00 176.35 176.65 1pa3 s THR 159 N -0.23 0.71 -0.10 3.68 -4.23 -1.26 -4.68 115.64 109.53 1pa3 s THR 159 Ca 0.46 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.28 1pa3 s THR 159 Cb -0.25 -2.46 0.35 0.00 1.34 0.00 0.00 72.50 71.48 1pa3 s THR 159 CO 0.31 0.00 1.89 0.10 -0.54 0.00 0.00 174.62 176.38 1pa3 h TYR 160 N 1.89 0.00 -0.67 3.99 -0.00 -1.26 -2.62 116.97 118.30 1pa3 h TYR 160 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.36 1pa3 h TYR 160 Cb 1.27 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.96 1pa3 h TYR 160 CO 1.25 0.00 0.42 0.00 -0.00 0.00 0.00 178.16 179.83 1pa3 h ALA 161 N 2.09 0.85 -0.50 0.10 0.00 -1.84 0.47 119.26 120.43 1pa3 h ALA 161 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pa3 h ALA 161 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pa3 h ALA 161 CO 0.00 0.31 0.26 -0.44 0.00 0.00 0.00 179.25 179.38 1pa3 h ASP 162 N 0.91 0.64 -0.11 0.00 3.32 -1.87 -1.47 116.42 117.84 1pa3 h ASP 162 Ca 0.24 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1pa3 h ASP 162 Cb -0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1pa3 h ASP 162 CO -0.05 0.56 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.77 1pa3 h LEU 163 N 0.67 0.50 -0.72 1.55 3.38 -1.50 -1.95 115.31 117.24 1pa3 h LEU 163 Ca 0.18 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1pa3 h LEU 163 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1pa3 h LEU 163 CO -0.03 0.71 -0.03 0.00 0.09 0.00 0.00 178.44 179.18 1pa3 h ALA 164 N 1.34 0.92 -0.02 1.53 0.00 -0.43 0.96 119.26 123.57 1pa3 h ALA 164 Ca 0.08 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 1pa3 h ALA 164 Cb 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pa3 h ALA 164 CO 0.04 0.64 -0.92 0.28 0.00 0.00 0.00 179.25 179.29 1pa3 h VAL 165 N 0.86 1.37 -0.20 0.00 2.07 -1.15 -2.03 116.25 117.18 1pa3 h VAL 165 Ca 0.15 -2.35 -0.15 0.00 0.82 0.00 0.00 66.70 65.18 1pa3 h VAL 165 Cb 0.56 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1pa3 h VAL 165 CO 0.03 0.71 -0.44 0.15 0.02 0.00 0.00 177.57 178.04 1pa3 h PHE 166 N 0.28 0.84 0.11 1.57 3.04 -1.24 -2.61 116.94 118.93 1pa3 h PHE 166 Ca -0.08 -0.31 0.02 0.00 3.98 0.00 0.00 57.97 61.58 1pa3 h PHE 166 Cb 1.55 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.87 1pa3 h PHE 166 CO 0.06 1.08 -0.26 -0.97 -2.02 0.00 0.00 178.31 176.21 1pa3 h ASN 167 N 0.35 -0.74 -0.83 0.41 -1.24 -0.84 -0.73 115.58 111.95 1pa3 h ASN 167 Ca 0.00 0.09 0.13 0.00 0.71 0.00 0.00 56.30 57.23 1pa3 h ASN 167 Cb 1.05 0.28 -0.14 0.00 0.73 0.00 0.00 38.32 40.24 1pa3 h ASN 167 CO 0.10 -0.35 -0.38 0.25 -1.29 0.00 0.00 177.43 175.75 1pa3 h LEU 168 N -0.47 -1.38 -0.50 0.34 5.85 -1.31 -1.02 115.31 116.83 1pa3 h LEU 168 Ca 0.03 0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 1pa3 h LEU 168 Cb 0.50 0.70 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1pa3 h LEU 168 CO -0.15 -0.30 -0.50 1.88 -0.34 0.00 0.00 178.44 179.04 1pa3 h TYR 169 N -0.07 0.00 -0.05 1.25 -1.99 -1.15 -2.02 116.97 112.95 1pa3 h TYR 169 Ca 0.29 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.92 1pa3 h TYR 169 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1pa3 h TYR 169 CO -0.79 0.50 -0.40 0.22 -0.00 0.00 0.00 178.16 177.68 1pa3 h ASP 170 N 0.00 0.10 -0.00 3.88 3.58 -0.15 -1.07 116.42 122.75 1pa3 h ASP 170 Ca -0.00 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 1pa3 h ASP 170 Cb 1.17 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.20 1pa3 h ASP 170 CO 0.06 0.50 -0.44 -0.78 -2.88 0.00 0.00 179.24 175.70 1pa3 h ASP 171 N 0.08 0.39 -0.27 2.28 3.58 -1.05 -3.19 116.42 118.25 1pa3 h ASP 171 Ca 0.01 -0.77 -0.03 0.00 0.42 0.00 0.00 57.03 56.66 1pa3 h ASP 171 Cb 0.75 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1pa3 h ASP 171 CO 0.06 1.11 0.07 0.40 -2.88 0.00 0.00 179.24 177.99 1pa3 h ILE 172 N -0.28 1.17 0.00 2.25 2.04 -1.29 -2.44 117.51 118.96 1pa3 h ILE 172 Ca -0.05 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1pa3 h ILE 172 Cb 1.17 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1pa3 h ILE 172 CO 0.09 0.22 0.00 -0.62 0.00 0.00 0.00 178.15 177.84 1pa3 n GLU 173 N -4.33 0.39 0.00 2.37 1.02 -0.41 -0.40 120.64 119.27 1pa3 n GLU 173 Ca 0.02 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 1pa3 n GLU 173 Cb 0.19 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.20 1pa3 n GLU 173 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1pa3 n THR 174 N -1.16 0.00 0.00 2.62 -2.24 -0.92 -4.50 114.28 108.08 1pa3 n THR 174 Ca 0.11 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1pa3 n THR 174 Cb 0.10 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1pa3 n THR 174 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pa3 n LYS 175 N 1.10 0.00 -4.42 -0.78 4.81 -0.82 -5.09 118.16 112.96 1pa3 n LYS 175 Ca 0.12 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.30 1pa3 n LYS 175 Cb 0.53 -0.85 -0.11 0.00 0.02 0.00 0.00 35.03 34.62 1pa3 n LYS 175 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pa3 s TYR 176 N -1.72 2.34 0.00 5.64 4.12 0.46 -5.12 117.35 123.06 1pa3 s TYR 176 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.07 56.75 1pa3 s TYR 176 Cb 0.00 -1.13 0.00 0.00 -1.52 0.00 0.00 41.96 39.31 1pa3 s TYR 176 CO 0.00 0.54 0.00 -0.35 0.02 0.00 0.00 175.55 175.76 1pa3 n PRO 177 N 0.07 0.00 0.00 -1.71 -0.04 -1.26 -4.10 135.00 127.96 1pa3 n PRO 177 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1pa3 n PRO 177 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1pa3 n PRO 177 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pa3 n SER 178 N 0.00 0.00 -0.22 3.54 2.88 -1.26 -4.82 113.62 113.74 1pa3 n SER 178 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1pa3 n SER 178 Cb 0.00 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 63.78 1pa3 n SER 178 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pa3 n SER 179 N 0.00 0.65 0.00 -3.46 7.64 -1.26 -4.31 113.62 112.88 1pa3 n SER 179 Ca 0.00 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1pa3 n SER 179 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1pa3 n SER 179 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pa3 n LEU 180 N -0.28 0.00 0.06 -3.43 4.77 -1.26 -3.40 117.00 113.47 1pa3 n LEU 180 Ca 0.11 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1pa3 n LEU 180 Cb 0.14 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1pa3 n LEU 180 CO 0.08 -0.17 0.73 0.11 -1.33 0.00 0.00 177.39 176.81 1pa3 h LYS 181 N 0.00 -0.31 -0.08 3.23 6.56 -2.01 -2.35 116.57 121.61 1pa3 h LYS 181 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1pa3 h LYS 181 Cb 0.04 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1pa3 h LYS 181 CO 0.00 -0.21 0.00 0.09 -2.06 0.00 0.00 179.45 177.27 1pa3 n ASN 182 N -5.33 0.08 -3.55 0.86 3.02 -1.22 -4.12 115.26 105.00 1pa3 n ASN 182 Ca -0.05 -1.60 -0.29 0.00 -0.03 0.00 0.00 54.58 52.62 1pa3 n ASN 182 Cb 0.24 -0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.26 1pa3 n ASN 182 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pa3 s PHE 183 N -1.90 1.37 0.16 3.10 0.40 -0.88 -5.03 117.98 115.20 1pa3 s PHE 183 Ca 0.00 -2.14 -0.16 0.00 -0.60 0.00 0.00 56.93 54.03 1pa3 s PHE 183 Cb 0.00 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 42.25 1pa3 s PHE 183 CO 0.00 -0.80 1.79 -1.35 0.70 0.00 0.00 175.22 175.56 1pa3 h PRO 184 N 6.50 0.41 -0.19 0.24 0.11 -1.74 -1.52 132.00 135.81 1pa3 h PRO 184 Ca 0.09 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.98 1pa3 h PRO 184 Cb 0.93 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1pa3 h PRO 184 CO 0.38 0.27 -0.68 -0.07 -0.21 0.00 0.00 178.00 177.70 1pa3 h LEU 185 N 0.43 0.86 0.33 2.35 3.38 -1.94 -0.88 115.31 119.83 1pa3 h LEU 185 Ca 0.16 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1pa3 h LEU 185 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1pa3 h LEU 185 CO -0.10 1.30 -0.24 0.25 0.09 0.00 0.00 178.44 179.75 1pa3 h LEU 186 N 0.53 -0.60 -0.63 1.67 5.85 -1.89 0.76 115.31 121.00 1pa3 h LEU 186 Ca -0.02 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1pa3 h LEU 186 Cb 1.28 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.43 1pa3 h LEU 186 CO 0.14 -0.36 0.27 0.50 -0.34 0.00 0.00 178.44 178.64 1pa3 h LYS 187 N -0.56 0.46 -0.29 1.25 3.64 -1.22 -1.19 116.57 118.67 1pa3 h LYS 187 Ca -0.03 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1pa3 h LYS 187 Cb 0.48 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1pa3 h LYS 187 CO 0.01 0.31 -0.18 0.00 -2.27 0.00 0.00 179.45 177.31 1pa3 h ALA 188 N 1.41 1.15 -0.73 5.00 0.00 -0.96 -2.34 119.26 122.79 1pa3 h ALA 188 Ca 0.31 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1pa3 h ALA 188 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1pa3 h ALA 188 CO -0.28 0.53 0.26 1.25 0.00 0.00 0.00 179.25 181.01 1pa3 h HIS 189 N 0.47 1.14 -0.01 0.00 -0.00 0.29 -0.37 115.15 116.67 1pa3 h HIS 189 Ca 0.08 -0.10 -0.18 0.00 -0.00 0.00 0.00 60.37 60.17 1pa3 h HIS 189 Cb 0.58 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 1pa3 h HIS 189 CO 0.02 0.89 -0.80 -0.91 -0.00 0.00 0.00 177.93 177.13 1pa3 h ASN 190 N 1.06 0.17 0.31 3.26 4.21 -1.06 -2.56 115.58 120.97 1pa3 h ASN 190 Ca 0.24 -0.13 -0.23 0.00 1.21 0.00 0.00 56.30 57.40 1pa3 h ASN 190 Cb 0.26 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1pa3 h ASN 190 CO -0.01 0.89 -0.94 -0.33 -1.29 0.00 0.00 177.43 175.75 1pa3 h GLU 191 N 0.08 0.43 -0.19 0.81 5.08 -1.32 -1.70 114.58 117.77 1pa3 h GLU 191 Ca -0.03 -0.45 0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1pa3 h GLU 191 Cb 1.39 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.72 1pa3 h GLU 191 CO 0.12 1.11 -0.12 0.35 -1.00 0.00 0.00 179.01 179.47 1pa3 h PHE 192 N 0.24 -0.30 0.00 4.33 3.57 -0.97 -1.11 116.94 122.70 1pa3 h PHE 192 Ca -0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1pa3 h PHE 192 Cb 1.57 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 1pa3 h PHE 192 CO 0.06 -0.18 -0.05 -0.84 -2.23 0.00 0.00 178.31 175.06 1pa3 h ILE 193 N -0.12 0.10 0.00 1.41 -0.00 -1.49 -2.94 117.51 114.46 1pa3 h ILE 193 Ca 0.11 -1.12 0.00 0.00 -0.00 0.00 0.00 64.86 63.85 1pa3 h ILE 193 Cb 0.28 2.03 0.00 0.00 -0.00 0.00 0.00 36.82 39.13 1pa3 h ILE 193 CO -0.26 0.05 0.00 0.77 -0.00 0.00 0.00 178.15 178.71 1pa3 h SER 194 N 0.00 0.00 0.22 2.16 4.64 -0.51 -2.84 113.55 117.22 1pa3 h SER 194 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pa3 h SER 194 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1pa3 h SER 194 CO 0.01 0.00 -1.35 0.59 -0.87 0.00 0.00 176.83 175.21 1pa3 n ASN 195 N -2.55 0.51 -4.69 4.97 5.03 -0.50 -3.39 115.26 114.65 1pa3 n ASN 195 Ca 0.02 -0.29 -0.52 0.00 0.87 0.00 0.00 54.58 54.67 1pa3 n ASN 195 Cb 0.30 1.23 -0.06 0.00 -1.02 0.00 0.00 39.78 40.24 1pa3 n ASN 195 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1pa3 n LEU 196 N -2.00 2.87 -0.18 3.41 4.77 -1.07 -4.61 117.00 120.18 1pa3 n LEU 196 Ca 0.00 1.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.97 1pa3 n LEU 196 Cb 0.46 -1.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 1pa3 n LEU 196 CO 0.43 -0.29 0.22 -2.65 -1.33 0.00 0.00 177.39 173.77 1pa3 n PRO 197 N 5.60 -0.19 -0.18 3.23 -0.02 -1.26 -0.24 135.00 141.94 1pa3 n PRO 197 Ca 0.23 0.68 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1pa3 n PRO 197 Cb 0.22 -1.01 0.04 0.00 -0.02 0.00 0.00 33.50 32.73 1pa3 n PRO 197 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1pa3 h ASN 198 N 0.00 0.53 0.03 2.55 -0.26 -1.88 -2.42 115.58 114.13 1pa3 h ASN 198 Ca 0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1pa3 h ASN 198 Cb 0.18 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1pa3 h ASN 198 CO -0.41 0.37 -0.01 0.40 -1.06 0.00 0.00 177.43 176.72 1pa3 h ILE 199 N 0.64 1.19 -0.62 2.81 5.03 -0.90 -2.14 117.51 123.52 1pa3 h ILE 199 Ca 0.21 -0.69 0.14 0.00 -0.12 0.00 0.00 64.86 64.40 1pa3 h ILE 199 Cb 0.00 1.65 -0.03 0.00 -3.03 0.00 0.00 36.82 35.41 1pa3 h ILE 199 CO -0.08 0.18 0.43 0.50 -0.68 0.00 0.00 178.15 178.49 1pa3 h LYS 200 N -0.34 0.23 0.34 2.37 3.64 -0.95 -0.05 116.57 121.80 1pa3 h LYS 200 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pa3 h LYS 200 Cb 0.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1pa3 h LYS 200 CO 0.01 0.15 -0.16 -0.97 -2.27 0.00 0.00 179.45 176.20 1pa3 h ASN 201 N 0.23 -0.39 -0.67 4.20 -1.24 -1.18 -2.30 115.58 114.24 1pa3 h ASN 201 Ca 0.30 -0.16 0.06 0.00 0.71 0.00 0.00 56.30 57.21 1pa3 h ASN 201 Cb 0.85 0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.95 1pa3 h ASN 201 CO -0.06 0.00 0.36 0.22 -1.29 0.00 0.00 177.43 176.66 1pa3 h TYR 202 N -0.83 0.67 -0.42 0.67 5.03 -0.71 -2.53 116.97 118.84 1pa3 h TYR 202 Ca -0.05 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.30 1pa3 h TYR 202 Cb 0.52 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 1pa3 h TYR 202 CO 0.03 0.31 0.25 0.82 -1.32 0.00 0.00 178.16 178.24 1pa3 h ILE 203 N 0.67 1.05 0.00 1.81 2.04 -1.05 -1.92 117.51 120.10 1pa3 h ILE 203 Ca 0.30 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1pa3 h ILE 203 Cb 0.21 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1pa3 h ILE 203 CO -0.19 0.09 0.00 0.71 0.00 0.00 0.00 178.15 178.76 1pa3 h THR 204 N 0.50 0.00 -0.03 -0.27 1.35 -1.08 -2.81 112.91 110.58 1pa3 h THR 204 Ca 0.16 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1pa3 h THR 204 Cb -0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1pa3 h THR 204 CO -0.07 0.00 -0.01 0.59 -0.25 0.00 0.00 175.52 175.78 1pa3 n ASN 205 N -3.00 2.98 0.00 5.36 5.03 -0.79 -5.11 115.26 119.73 1pa3 n ASN 205 Ca 0.00 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.46 1pa3 n ASN 205 Cb 0.26 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 1pa3 n ASN 205 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97