#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0r s ARG 3 N 0.00 3.13 0.02 1.97 3.52 -1.26 -2.80 118.95 123.53 3a0r s ARG 3 Ca 0.00 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 3a0r s ARG 3 Cb 0.00 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 3a0r s ARG 3 CO 0.00 0.08 -0.20 0.42 -0.81 0.00 0.00 175.30 174.78 3a0r s ILE 4 N 0.63 2.59 -0.35 4.11 1.01 -1.06 -3.57 121.20 124.56 3a0r s ILE 4 Ca -0.10 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 3a0r s ILE 4 Cb -0.16 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.28 3a0r s ILE 4 CO 0.03 0.41 0.18 -0.22 0.00 0.00 0.00 174.94 175.33 3a0r s LEU 5 N -1.20 4.43 -0.19 2.97 2.96 -1.21 -2.51 118.68 123.94 3a0r s LEU 5 Ca 0.13 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 3a0r s LEU 5 Cb -0.10 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3a0r s LEU 5 CO 0.03 -0.30 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.04 3a0r s VAL 6 N 1.57 3.76 -0.10 1.68 1.01 -1.22 -2.45 120.40 124.64 3a0r s VAL 6 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3a0r s VAL 6 Cb -0.18 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3a0r s VAL 6 CO 0.06 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.74 3a0r s VAL 7 N 0.90 1.65 0.24 2.92 1.01 -0.58 -2.59 120.40 123.94 3a0r s VAL 7 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 3a0r s VAL 7 Cb -0.14 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.79 3a0r s VAL 7 CO 0.01 0.47 0.62 -0.62 0.00 0.00 0.00 175.10 175.58 3a0r s ASP 8 N 0.71 -0.28 -0.05 3.32 -1.08 -1.24 -3.55 116.67 114.49 3a0r s ASP 8 Ca -0.12 -0.53 -0.07 0.00 -0.52 0.00 0.00 52.55 51.31 3a0r s ASP 8 Cb -0.16 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 3a0r s ASP 8 CO 0.03 -1.19 0.32 -2.24 0.52 0.00 0.00 175.17 172.61 3a0r h ASP 9 N 2.09 -0.21 -3.62 -0.34 2.03 -1.92 -3.43 116.42 111.01 3a0r h ASP 9 Ca -0.25 0.01 -0.52 0.00 -0.73 0.00 0.00 57.03 55.54 3a0r h ASP 9 Cb 1.26 0.05 0.04 0.00 -0.83 0.00 0.00 39.33 39.85 3a0r h ASP 9 CO 0.31 0.16 0.61 -1.61 -1.03 0.00 0.00 179.24 177.68 3a0r s GLU 10 N -2.32 4.44 0.39 4.15 2.02 -1.26 -4.94 118.70 121.18 3a0r s GLU 10 Ca -0.04 2.04 0.10 0.00 0.02 0.00 0.00 54.97 57.10 3a0r s GLU 10 Cb 0.00 -3.16 0.81 0.00 0.10 0.00 0.00 34.13 31.89 3a0r s GLU 10 CO 0.11 -0.13 1.92 -1.00 0.02 0.00 0.00 175.26 176.18 3a0r h PRO 11 N 4.45 0.19 0.00 0.39 0.13 -2.02 -3.00 132.00 132.14 3a0r h PRO 11 Ca -0.46 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3a0r h PRO 11 Cb 1.22 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3a0r h PRO 11 CO 0.71 0.35 -0.29 -0.91 -0.23 0.00 0.00 178.00 177.63 3a0r h ASN 12 N 0.18 0.00 0.74 1.44 2.35 -2.00 -3.22 115.58 115.07 3a0r h ASN 12 Ca 0.04 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.54 3a0r h ASN 12 Cb 0.39 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 3a0r h ASN 12 CO 0.02 0.29 -1.37 -0.29 -1.65 0.00 0.00 177.43 174.44 3a0r h ILE 13 N 0.00 1.19 -0.22 2.81 2.10 -1.93 -3.33 117.51 118.13 3a0r h ILE 13 Ca -0.00 -2.95 -0.15 0.00 1.08 0.00 0.00 64.86 62.84 3a0r h ILE 13 Cb 0.82 2.58 0.00 0.00 -1.09 0.00 0.00 36.82 39.13 3a0r h ILE 13 CO 0.04 0.68 -0.43 0.03 -1.08 0.00 0.00 178.15 177.39 3a0r h ARG 14 N 0.00 0.68 0.00 2.19 3.08 -1.58 -3.13 114.38 115.62 3a0r h ARG 14 Ca -0.16 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 3a0r h ARG 14 Cb 1.88 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 3a0r h ARG 14 CO 0.10 1.06 -0.05 1.49 -1.07 0.00 0.00 179.97 181.49 3a0r h GLU 15 N 0.39 0.00 -0.07 0.04 4.81 -1.70 -2.43 114.58 115.62 3a0r h GLU 15 Ca 0.01 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 3a0r h GLU 15 Cb 1.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.42 3a0r h GLU 15 CO 0.10 0.05 -0.54 1.25 -0.73 0.00 0.00 179.01 179.14 3a0r h LEU 16 N 0.00 0.59 0.06 1.64 5.85 -1.64 -3.32 115.31 118.50 3a0r h LEU 16 Ca -0.00 -0.68 -0.27 0.00 0.84 0.00 0.00 57.88 57.77 3a0r h LEU 16 Cb 0.30 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 41.18 3a0r h LEU 16 CO 0.01 1.18 -1.10 -0.07 -0.34 0.00 0.00 178.44 178.12 3a0r h LEU 17 N 0.05 0.86 -0.80 2.25 3.38 -1.54 -3.21 115.31 116.30 3a0r h LEU 17 Ca -0.05 -0.79 0.19 0.00 0.09 0.00 0.00 57.88 57.33 3a0r h LEU 17 Cb 1.21 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 3a0r h LEU 17 CO 0.11 1.55 0.09 0.50 0.09 0.00 0.00 178.44 180.77 3a0r h LYS 18 N 0.27 0.14 -0.33 1.13 3.64 -1.57 0.21 116.57 120.06 3a0r h LYS 18 Ca -0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3a0r h LYS 18 Cb 1.77 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 3a0r h LYS 18 CO 0.21 0.09 0.00 0.39 -2.27 0.00 0.00 179.45 177.88 3a0r n GLU 19 N -5.30 1.86 -0.09 1.90 1.02 -1.25 -2.38 120.64 116.40 3a0r n GLU 19 Ca 0.16 -1.32 -0.09 0.00 -0.02 0.00 0.00 57.16 55.89 3a0r n GLU 19 Cb 0.54 -1.32 -0.15 0.00 -0.02 0.00 0.00 31.44 30.49 3a0r n GLU 19 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3a0r n GLU 20 N 0.56 0.89 0.08 3.49 -0.58 0.66 -4.23 120.64 121.51 3a0r n GLU 20 Ca 0.14 -0.01 0.10 0.00 -0.42 0.00 0.00 57.16 56.96 3a0r n GLU 20 Cb 0.33 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 3a0r n GLU 20 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3a0r n LEU 21 N -2.69 0.70 0.00 -4.62 4.77 -0.69 -3.50 117.00 110.97 3a0r n LEU 21 Ca -0.30 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3a0r n LEU 21 Cb 1.11 -0.03 0.51 0.00 -2.33 0.00 0.00 43.42 42.68 3a0r n LEU 21 CO 0.40 -0.12 0.87 0.00 -1.33 0.00 0.00 177.39 177.22 3a0r n GLN 22 N -2.63 0.03 0.05 3.23 6.02 -1.00 -1.99 117.38 121.09 3a0r n GLN 22 Ca -0.02 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.85 3a0r n GLN 22 Cb 0.59 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.20 3a0r n GLN 22 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3a0r h GLU 23 N 0.00 0.31 -0.13 -1.09 4.81 -1.73 -3.38 114.58 113.37 3a0r h GLU 23 Ca 0.00 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3a0r h GLU 23 Cb 0.39 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3a0r h GLU 23 CO 0.00 1.25 0.03 0.93 -0.73 0.00 0.00 179.01 180.49 3a0r h GLU 24 N -0.32 0.21 0.00 1.92 4.39 -1.62 -3.47 114.58 115.69 3a0r h GLU 24 Ca -0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3a0r h GLU 24 Cb 1.71 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 3a0r h GLU 24 CO 0.14 0.38 0.00 0.41 -1.16 0.00 0.00 179.01 178.79 3a0r n GLY 25 N -0.47 0.00 3.29 -3.84 0.00 -1.07 -5.14 105.19 97.96 3a0r n GLY 25 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 3a0r n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a0r s TYR 26 N 0.00 1.49 -0.11 1.61 2.02 -0.84 -4.49 117.35 117.02 3a0r s TYR 26 Ca 0.00 -1.36 0.02 0.00 -0.37 0.00 0.00 57.07 55.36 3a0r s TYR 26 Cb 0.00 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.79 3a0r s TYR 26 CO 0.00 -0.54 -0.17 -2.00 -1.57 0.00 0.00 175.55 171.27 3a0r s GLU 27 N -3.92 2.38 -0.24 -0.62 2.12 -1.12 -4.15 118.70 113.15 3a0r s GLU 27 Ca 0.37 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 3a0r s GLU 27 Cb 0.06 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 3a0r s GLU 27 CO 0.16 -0.04 0.08 0.42 -0.54 0.00 0.00 175.26 175.34 3a0r s ILE 28 N 0.92 4.45 -0.30 -3.70 -1.09 -1.26 -2.57 121.20 117.65 3a0r s ILE 28 Ca -0.07 -0.13 -0.08 0.00 -2.23 0.00 0.00 60.65 58.14 3a0r s ILE 28 Cb -0.15 -3.07 -0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3a0r s ILE 28 CO -0.01 0.35 0.11 -1.81 -1.23 0.00 0.00 174.94 172.35 3a0r s ASP 29 N 1.43 5.33 -0.03 3.58 1.01 -1.04 -5.03 116.67 121.91 3a0r s ASP 29 Ca 0.06 -0.57 -0.19 0.00 0.71 0.00 0.00 52.55 52.55 3a0r s ASP 29 Cb -0.15 -1.94 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 3a0r s ASP 29 CO 0.04 -0.18 0.54 0.42 0.21 0.00 0.00 175.17 176.20 3a0r s THR 30 N 1.57 5.00 0.22 -1.27 -4.23 -1.26 -3.43 115.64 112.23 3a0r s THR 30 Ca 0.04 1.12 0.11 0.00 -1.18 0.00 0.00 61.69 61.78 3a0r s THR 30 Cb -0.17 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 3a0r s THR 30 CO 0.04 0.42 -0.21 0.00 -0.54 0.00 0.00 174.62 174.33 3a0r s ALA 31 N -0.10 2.66 -0.05 3.99 0.00 -1.07 -4.99 121.76 122.20 3a0r s ALA 31 Ca 0.29 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 3a0r s ALA 31 Cb -0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3a0r s ALA 31 CO 0.15 0.38 -0.12 -0.85 0.00 0.00 0.00 175.76 175.32 3a0r n GLU 32 N -0.09 0.18 -3.91 0.00 0.28 -1.26 -3.66 120.64 112.18 3a0r n GLU 32 Ca -0.10 0.07 -0.21 0.00 -0.16 0.00 0.00 57.16 56.76 3a0r n GLU 32 Cb 0.57 -0.75 -0.03 0.00 1.43 0.00 0.00 31.44 32.66 3a0r n GLU 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3a0r s ASN 33 N -5.00 5.56 0.57 -1.84 2.20 -1.26 -4.22 114.94 110.94 3a0r s ASN 33 Ca -0.10 -0.31 0.32 0.00 -0.94 0.00 0.00 52.86 51.84 3a0r s ASN 33 Cb 0.01 -1.26 1.72 0.00 -2.00 0.00 0.00 41.25 39.72 3a0r s ASN 33 CO 0.15 -0.21 2.16 1.23 -2.94 0.00 0.00 177.10 177.48 3a0r h GLY 34 N 1.30 0.00 1.78 0.45 0.00 -1.87 0.20 103.07 104.93 3a0r h GLY 34 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3a0r h GLY 34 CO 0.59 0.00 -0.29 -2.09 0.00 0.00 0.00 176.54 174.74 3a0r h GLU 35 N 0.00 0.00 0.00 4.80 4.81 -1.95 -3.07 114.58 119.17 3a0r h GLU 35 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a0r h GLU 35 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3a0r h GLU 35 CO 0.01 0.07 -1.41 -1.91 -0.73 0.00 0.00 179.01 175.04 3a0r n GLU 36 N -3.03 0.60 0.11 1.92 2.13 -0.61 -4.05 120.64 117.70 3a0r n GLU 36 Ca 0.03 -0.09 -0.04 0.00 0.66 0.00 0.00 57.16 57.72 3a0r n GLU 36 Cb 0.57 -1.45 0.10 0.00 0.27 0.00 0.00 31.44 30.93 3a0r n GLU 36 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a0r h ALA 37 N 2.30 0.81 -0.27 4.31 0.00 -0.68 -2.81 119.26 122.92 3a0r h ALA 37 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 3a0r h ALA 37 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a0r h ALA 37 CO 0.00 0.84 -0.06 -0.07 0.00 0.00 0.00 179.25 179.96 3a0r h LEU 38 N 0.05 0.51 -1.47 0.00 3.38 -1.70 -3.14 115.31 112.95 3a0r h LEU 38 Ca -0.01 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3a0r h LEU 38 Cb 1.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3a0r h LEU 38 CO 0.10 0.75 -0.26 0.11 0.09 0.00 0.00 178.44 179.23 3a0r h LYS 39 N 0.26 0.00 -0.12 1.13 1.57 -1.70 -2.58 116.57 115.14 3a0r h LYS 39 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3a0r h LYS 39 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3a0r h LYS 39 CO 0.02 0.26 0.00 1.63 -0.57 0.00 0.00 179.45 180.79 3a0r n LYS 40 N -3.86 1.32 0.00 3.15 5.02 -1.06 -3.91 118.16 118.82 3a0r n LYS 40 Ca -0.02 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 3a0r n LYS 40 Cb 0.35 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3a0r n LYS 40 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3a0r n PHE 41 N -0.17 0.00 0.32 2.13 7.35 -1.00 -4.90 117.46 121.19 3a0r n PHE 41 Ca 0.09 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.64 3a0r n PHE 41 Cb 0.14 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.91 3a0r n PHE 41 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3a0r h PHE 42 N 0.00 -0.80 -1.73 -5.13 0.04 -1.62 -3.34 116.94 104.37 3a0r h PHE 42 Ca 0.00 -0.02 -0.70 0.00 2.80 0.00 0.00 57.97 60.05 3a0r h PHE 42 Cb 0.76 0.26 -0.24 0.00 2.20 0.00 0.00 35.95 38.93 3a0r h PHE 42 CO 0.00 -0.49 0.94 -1.13 -0.60 0.00 0.00 178.31 177.03 3a0r n SER 43 N -5.25 7.25 0.00 2.17 3.41 -1.26 -4.92 113.62 115.02 3a0r n SER 43 Ca -0.11 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 3a0r n SER 43 Cb 0.34 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 3a0r n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a0r n GLY 44 N 0.00 3.36 2.63 5.00 0.00 -1.25 -5.14 105.19 109.79 3a0r n GLY 44 Ca 0.52 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3a0r n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a0r s ASN 45 N 1.84 3.66 -0.10 1.61 0.01 -1.26 -5.06 114.94 115.64 3a0r s ASN 45 Ca 0.00 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 50.77 3a0r s ASN 45 Cb 0.00 -0.56 0.02 0.00 0.41 0.00 0.00 41.25 41.13 3a0r s ASN 45 CO 0.00 -0.42 -0.09 -0.31 -1.51 0.00 0.00 177.10 174.77 3a0r s TYR 46 N 1.90 1.51 -2.09 2.20 2.02 -1.26 -4.86 117.35 116.77 3a0r s TYR 46 Ca 0.09 -0.71 0.16 0.00 -0.37 0.00 0.00 57.07 56.24 3a0r s TYR 46 Cb -0.17 -1.21 0.48 0.00 -0.40 0.00 0.00 41.96 40.66 3a0r s TYR 46 CO -0.30 -0.46 1.39 -0.25 -1.57 0.00 0.00 175.55 174.35 3a0r n ASP 47 N 4.66 2.44 -3.57 2.29 8.00 -1.23 -4.88 116.55 124.25 3a0r n ASP 47 Ca -0.15 -1.95 -0.06 0.00 0.71 0.00 0.00 54.79 53.34 3a0r n ASP 47 Cb 0.50 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 3a0r n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3a0r s LEU 48 N -1.15 -0.23 -0.17 0.64 2.96 -1.26 -4.61 118.68 114.87 3a0r s LEU 48 Ca 0.32 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 54.13 3a0r s LEU 48 Cb 0.17 1.62 0.05 0.00 0.50 0.00 0.00 46.19 48.52 3a0r s LEU 48 CO 0.23 -0.36 0.44 0.54 -1.32 0.00 0.00 176.35 175.88 3a0r s VAL 49 N -2.45 -0.00 -0.15 1.68 0.11 -0.94 -3.29 120.40 115.36 3a0r s VAL 49 Ca 0.07 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 3a0r s VAL 49 Cb -0.01 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 3a0r s VAL 49 CO -0.06 0.01 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.92 3a0r s ILE 50 N 0.44 2.48 0.05 7.04 1.01 -1.03 -1.93 121.20 129.26 3a0r s ILE 50 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3a0r s ILE 50 Cb -0.04 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3a0r s ILE 50 CO -0.02 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.56 3a0r s LEU 51 N 0.76 2.21 0.00 2.97 1.43 -1.13 -1.52 118.68 123.39 3a0r s LEU 51 Ca -0.07 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3a0r s LEU 51 Cb -0.16 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.58 3a0r s LEU 51 CO 0.00 -0.04 0.00 -0.67 0.23 0.00 0.00 176.35 175.88 3a0r n ASP 52 N 1.70 0.00 0.05 2.29 -0.08 -1.23 -0.32 116.55 118.97 3a0r n ASP 52 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 3a0r n ASP 52 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 3a0r n ASP 52 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3a0r n ILE 53 N 0.00 0.05 -2.30 5.18 5.41 -1.26 -4.07 119.36 122.36 3a0r n ILE 53 Ca 0.00 0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.34 3a0r n ILE 53 Cb 0.00 -0.29 -0.02 0.00 -0.71 0.00 0.00 39.64 38.61 3a0r n ILE 53 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3a0r s GLU 54 N -1.39 4.00 0.21 0.38 2.56 -1.26 -0.89 118.70 122.31 3a0r s GLU 54 Ca 0.00 1.57 -0.09 0.00 0.00 0.00 0.00 54.97 56.44 3a0r s GLU 54 Cb 0.00 -3.90 -0.07 0.00 2.00 0.00 0.00 34.13 32.16 3a0r s GLU 54 CO 0.00 -1.02 0.52 -2.14 -0.56 0.00 0.00 175.26 172.06 3a0r s PRO 56 N 4.10 3.78 0.11 4.30 0.02 -1.26 -4.96 135.00 141.09 3a0r s PRO 56 Ca 0.61 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.87 3a0r s PRO 56 Cb -0.22 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.61 3a0r s PRO 56 CO 0.23 0.35 0.00 0.41 -0.33 0.00 0.00 177.00 177.66 3a0r n GLY 57 N -0.04 1.67 3.47 0.52 0.00 -1.26 -4.47 105.19 105.08 3a0r n GLY 57 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3a0r n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a0r s ILE 58 N 0.00 0.00 0.04 -0.61 -4.36 -1.26 -5.07 121.20 109.94 3a0r s ILE 58 Ca 0.00 -1.56 -0.28 0.00 -0.26 0.00 0.00 60.65 58.55 3a0r s ILE 58 Cb 0.00 -2.25 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 3a0r s ILE 58 CO 0.00 -0.02 0.90 -0.94 0.24 0.00 0.00 174.94 175.11 3a0r s SER 59 N -3.05 7.33 0.57 4.36 1.04 -1.26 -4.79 113.70 117.90 3a0r s SER 59 Ca 0.26 1.60 0.33 0.00 0.48 0.00 0.00 55.95 58.63 3a0r s SER 59 Cb 0.02 -2.54 1.41 0.00 0.10 0.00 0.00 66.02 65.01 3a0r s SER 59 CO 0.09 -0.12 1.72 1.23 0.98 0.00 0.00 173.24 177.14 3a0r h GLY 60 N 6.15 0.00 0.07 7.32 0.00 -1.16 0.50 103.07 115.95 3a0r h GLY 60 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3a0r h GLY 60 CO 0.73 0.00 -0.15 1.41 0.00 0.00 0.00 176.54 178.53 3a0r h LEU 61 N 0.00 -0.43 -1.71 3.11 3.38 -1.82 -1.06 115.31 116.79 3a0r h LEU 61 Ca 0.45 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 3a0r h LEU 61 Cb 2.12 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 43.02 3a0r h LEU 61 CO -0.00 -0.17 0.01 -0.08 0.09 0.00 0.00 178.44 178.29 3a0r h GLU 62 N -0.23 0.18 0.06 1.13 4.81 -0.53 -2.75 114.58 117.25 3a0r h GLU 62 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3a0r h GLU 62 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3a0r h GLU 62 CO -0.06 0.20 -0.06 0.28 -0.73 0.00 0.00 179.01 178.63 3a0r h VAL 63 N 0.18 0.85 -0.61 0.32 2.07 -0.61 -2.47 116.25 115.98 3a0r h VAL 63 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3a0r h VAL 63 Cb 0.12 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3a0r h VAL 63 CO 0.00 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.00 3a0r h ALA 64 N 0.79 1.58 0.00 1.67 0.00 -0.90 -1.71 119.26 120.70 3a0r h ALA 64 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3a0r h ALA 64 Cb 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a0r h ALA 64 CO -0.02 0.39 -0.08 0.78 0.00 0.00 0.00 179.25 180.31 3a0r h GLY 65 N 0.82 0.00 2.00 0.00 0.00 -1.30 -1.85 103.07 102.73 3a0r h GLY 65 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 3a0r h GLY 65 CO -0.05 0.00 -0.56 0.83 0.00 0.00 0.00 176.54 176.76 3a0r h GLU 66 N 0.00 0.00 0.00 4.80 4.39 -0.90 -3.10 114.58 119.77 3a0r h GLU 66 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3a0r h GLU 66 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3a0r h GLU 66 CO 0.01 0.56 -0.67 0.82 -1.16 0.00 0.00 179.01 178.58 3a0r h ILE 67 N 0.00 0.85 0.12 3.13 2.04 -1.27 -3.30 117.51 119.08 3a0r h ILE 67 Ca -0.01 -2.24 -0.20 0.00 1.00 0.00 0.00 64.86 63.42 3a0r h ILE 67 Cb 1.34 2.38 0.02 0.00 -0.74 0.00 0.00 36.82 39.83 3a0r h ILE 67 CO 0.07 0.48 -0.84 -0.09 0.00 0.00 0.00 178.15 177.78 3a0r h ARG 68 N 0.00 0.35 -0.42 2.37 9.65 -1.46 -2.97 114.38 121.91 3a0r h ARG 68 Ca -0.03 -0.54 -0.10 0.00 -1.10 0.00 0.00 59.98 58.21 3a0r h ARG 68 Cb 1.43 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 30.19 3a0r h ARG 68 CO 0.07 1.24 -0.14 0.87 2.80 0.00 0.00 179.97 184.81 3a0r h LYS 69 N -0.25 0.83 0.00 0.20 1.57 -1.69 -3.31 116.57 113.92 3a0r h LYS 69 Ca -0.14 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3a0r h LYS 69 Cb 1.63 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.90 3a0r h LYS 69 CO 0.16 0.96 0.00 1.63 -0.57 0.00 0.00 179.45 181.63 3a0r n LYS 70 N -4.27 0.00 -2.94 3.15 4.01 -1.24 -4.59 118.16 112.28 3a0r n LYS 70 Ca -0.01 0.26 -0.43 0.00 -0.51 0.00 0.00 58.31 57.62 3a0r n LYS 70 Cb 0.39 -1.10 -0.05 0.00 -0.51 0.00 0.00 35.03 33.77 3a0r n LYS 70 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3a0r s LYS 71 N -1.55 3.27 0.19 1.97 2.47 -1.12 -4.92 119.74 120.04 3a0r s LYS 71 Ca 0.00 -0.45 -0.13 0.00 -1.56 0.00 0.00 55.97 53.83 3a0r s LYS 71 Cb 0.00 -4.06 0.12 0.00 -1.46 0.00 0.00 37.83 32.42 3a0r s LYS 71 CO 0.00 -1.40 1.83 -0.22 0.16 0.00 0.00 175.35 175.72 3a0r h LYS 72 N 9.21 0.70 -2.11 4.03 3.64 -1.81 -2.95 116.57 127.28 3a0r h LYS 72 Ca -0.26 -0.04 -0.78 0.00 -1.27 0.00 0.00 60.65 58.30 3a0r h LYS 72 Cb 1.08 -0.16 -0.28 0.00 -0.41 0.00 0.00 32.23 32.46 3a0r h LYS 72 CO 1.05 0.46 0.93 -0.25 -2.27 0.00 0.00 179.45 179.37 3a0r n ASP 73 N -4.73 7.26 -4.92 4.20 8.00 -1.26 -4.99 116.55 120.11 3a0r n ASP 73 Ca 0.05 -3.76 -0.27 0.00 0.71 0.00 0.00 54.79 51.51 3a0r n ASP 73 Cb 0.06 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 3a0r n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a0r s ALA 74 N -4.16 3.66 -0.43 2.24 0.00 -1.11 -5.08 121.76 116.88 3a0r s ALA 74 Ca 0.46 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 3a0r s ALA 74 Cb 0.32 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 21.32 3a0r s ALA 74 CO -0.27 0.19 0.27 0.15 0.00 0.00 0.00 175.76 176.10 3a0r s LYS 75 N -3.73 2.37 -0.37 0.00 -0.14 -1.26 -4.97 119.74 111.63 3a0r s LYS 75 Ca 0.42 -1.68 -0.05 0.00 -1.36 0.00 0.00 55.97 53.30 3a0r s LYS 75 Cb -0.10 -3.76 0.07 0.00 -1.68 0.00 0.00 37.83 32.36 3a0r s LYS 75 CO 0.32 -1.07 0.15 0.42 -0.76 0.00 0.00 175.35 174.40 3a0r s ILE 76 N 1.31 3.64 -0.25 2.17 1.01 -1.26 -2.21 121.20 125.60 3a0r s ILE 76 Ca 0.05 -1.47 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 3a0r s ILE 76 Cb -0.24 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3a0r s ILE 76 CO -0.01 -0.38 0.23 -0.63 0.00 0.00 0.00 174.94 174.15 3a0r s ILE 77 N 1.32 5.30 -0.01 2.92 1.01 -0.81 -0.78 121.20 130.14 3a0r s ILE 77 Ca 0.01 0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.81 3a0r s ILE 77 Cb -0.21 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 3a0r s ILE 77 CO 0.00 0.28 0.39 -0.76 0.00 0.00 0.00 174.94 174.85 3a0r s LEU 78 N 1.43 4.46 -0.48 2.97 1.43 -0.53 -2.85 118.68 125.11 3a0r s LEU 78 Ca 0.10 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.18 3a0r s LEU 78 Cb -0.15 -2.54 0.21 0.00 0.03 0.00 0.00 46.19 43.74 3a0r s LEU 78 CO 0.08 0.32 0.71 -0.11 0.23 0.00 0.00 176.35 177.58 3a0r n LEU 79 N 1.90 -2.53 -4.86 1.79 7.94 0.57 -0.90 117.00 120.90 3a0r n LEU 79 Ca -0.14 -3.41 -0.30 0.00 -1.11 0.00 0.00 56.01 51.04 3a0r n LEU 79 Cb 0.53 0.75 0.06 0.00 0.53 0.00 0.00 43.42 45.28 3a0r n LEU 79 CO 0.37 1.96 0.74 0.28 -1.11 0.00 0.00 177.39 179.63 3a0r s THR 80 N 0.51 3.27 0.05 1.96 -1.32 -1.12 -3.83 115.64 115.16 3a0r s THR 80 Ca 0.32 0.41 0.33 0.00 -1.21 0.00 0.00 61.69 61.53 3a0r s THR 80 Cb 0.10 -3.34 0.36 0.00 -1.51 0.00 0.00 72.50 68.10 3a0r s THR 80 CO -0.14 -0.54 1.97 0.00 -2.21 0.00 0.00 174.62 173.70 3a0r h ALA 81 N -0.80 1.00 -3.08 11.08 0.00 -1.92 -3.34 119.26 122.21 3a0r h ALA 81 Ca -0.46 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 3a0r h ALA 81 Cb 1.26 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.64 3a0r h ALA 81 CO 0.63 0.00 -0.55 0.71 0.00 0.00 0.00 179.25 180.04 3a0r s TYR 82 N -3.67 3.60 -0.10 0.00 2.02 -1.26 -4.91 117.35 113.02 3a0r s TYR 82 Ca 0.00 -3.33 0.00 0.00 -0.37 0.00 0.00 57.07 53.37 3a0r s TYR 82 Cb 0.10 -2.73 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 3a0r s TYR 82 CO 0.45 -0.55 -0.10 -1.54 -1.57 0.00 0.00 175.55 172.24 3a0r s SER 83 N -1.41 4.35 0.00 2.29 1.04 -1.25 -5.03 113.70 113.68 3a0r s SER 83 Ca 0.25 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3a0r s SER 83 Cb -0.05 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.74 3a0r s SER 83 CO -0.17 0.27 0.00 1.41 0.98 0.00 0.00 173.24 175.73 3a0r n HIS 84 N 2.86 0.00 -3.75 5.02 8.25 -1.26 -4.62 115.22 121.72 3a0r n HIS 84 Ca -0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.99 3a0r n HIS 84 Cb 0.53 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 3a0r n HIS 84 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3a0r s TYR 85 N 1.26 2.32 0.00 4.41 1.51 -1.26 -4.83 117.35 120.76 3a0r s TYR 85 Ca 0.00 -2.67 0.00 0.00 -1.01 0.00 0.00 57.07 53.39 3a0r s TYR 85 Cb 0.00 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 3a0r s TYR 85 CO 0.00 -0.74 0.00 -2.13 -1.11 0.00 0.00 175.55 171.57 3a0r n ARG 86 N 3.17 0.00 0.00 -0.62 0.63 -1.26 -4.81 116.66 113.76 3a0r n ARG 86 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3a0r n ARG 86 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 3a0r n ARG 86 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3a0r n SER 87 N 0.29 0.84 0.00 6.15 3.41 -1.26 -5.07 113.62 117.97 3a0r n SER 87 Ca 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3a0r n SER 87 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3a0r n SER 87 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a0r n ASP 88 N -0.17 0.00 0.00 4.04 2.03 -1.26 -5.10 116.55 116.08 3a0r n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3a0r n ASP 88 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 3a0r n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3a0r n SER 90 N 0.00 0.00 0.19 1.67 7.64 -1.26 -4.45 113.62 117.41 3a0r n SER 90 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 3a0r n SER 90 Cb 0.00 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.79 3a0r n SER 90 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3a0r h SER 91 N 0.00 0.00 0.91 6.43 4.64 -1.94 -2.69 113.55 120.89 3a0r h SER 91 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3a0r h SER 91 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3a0r h SER 91 CO 0.00 0.00 -0.27 -0.25 -0.87 0.00 0.00 176.83 175.44 3a0r h TRP 92 N 0.00 0.00 -0.26 4.77 2.91 -1.94 -2.22 115.95 119.22 3a0r h TRP 92 Ca 0.00 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.84 3a0r h TRP 92 Cb 0.38 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 3a0r h TRP 92 CO 0.00 0.27 -0.54 0.00 -1.03 0.00 0.00 178.44 177.14 3a0r h ALA 93 N 1.73 0.41 -2.34 2.65 0.00 -1.88 -3.44 119.26 116.39 3a0r h ALA 93 Ca -0.00 -0.51 -0.51 0.00 0.00 0.00 0.00 54.91 53.88 3a0r h ALA 93 Cb 0.80 -0.06 0.13 0.00 0.00 0.00 0.00 17.79 18.66 3a0r h ALA 93 CO 0.04 0.62 0.32 0.00 0.00 0.00 0.00 179.25 180.23 3a0r s ALA 94 N -4.07 2.23 0.00 0.00 0.00 -0.84 -5.01 121.76 114.08 3a0r s ALA 94 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3a0r s ALA 94 Cb 0.09 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3a0r s ALA 94 CO 0.88 -1.76 0.00 -3.47 0.00 0.00 0.00 175.76 171.41 3a0r n ASP 95 N -3.41 0.00 -4.59 0.00 -0.08 0.04 -4.93 116.55 103.58 3a0r n ASP 95 Ca 0.09 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.07 3a0r n ASP 95 Cb 0.53 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.89 3a0r n ASP 95 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3a0r s GLU 96 N 0.00 2.37 -0.18 -0.67 0.41 -1.11 -4.97 118.70 114.54 3a0r s GLU 96 Ca 0.00 -0.86 -0.05 0.00 -0.41 0.00 0.00 54.97 53.65 3a0r s GLU 96 Cb 0.00 -2.41 -0.03 0.00 -1.78 0.00 0.00 34.13 29.91 3a0r s GLU 96 CO 0.00 0.56 -0.01 -0.47 -0.49 0.00 0.00 175.26 174.85 3a0r s TYR 97 N -1.11 3.04 -0.07 1.61 5.04 -1.26 -1.45 117.35 123.15 3a0r s TYR 97 Ca 0.19 -0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 3a0r s TYR 97 Cb -0.11 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.13 3a0r s TYR 97 CO 0.11 -0.16 -0.10 0.08 -1.34 0.00 0.00 175.55 174.13 3a0r s VAL 98 N 0.77 3.40 -0.27 3.14 1.01 -0.08 -5.00 120.40 123.37 3a0r s VAL 98 Ca -0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3a0r s VAL 98 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3a0r s VAL 98 CO 0.02 0.59 0.30 -0.69 0.00 0.00 0.00 175.10 175.31 3a0r s VAL 99 N -0.64 5.23 -0.66 2.92 1.01 -1.26 -4.42 120.40 122.57 3a0r s VAL 99 Ca 0.10 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3a0r s VAL 99 Cb -0.11 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3a0r s VAL 99 CO 0.01 0.20 1.51 -0.75 0.00 0.00 0.00 175.10 176.07 3a0r s LYS 100 N 1.94 3.01 0.30 2.72 2.20 -1.26 -4.96 119.74 123.69 3a0r s LYS 100 Ca 0.12 0.17 0.05 0.00 -0.36 0.00 0.00 55.97 55.95 3a0r s LYS 100 Cb -0.16 -4.24 -0.06 0.00 -1.51 0.00 0.00 37.83 31.86 3a0r s LYS 100 CO 0.10 -2.32 0.01 0.45 -0.36 0.00 0.00 175.35 173.23 3a0r s SER 101 N 5.38 2.47 0.65 1.43 0.15 -1.26 -4.85 113.70 117.67 3a0r s SER 101 Ca 0.49 -1.29 0.34 0.00 0.70 0.00 0.00 55.95 56.19 3a0r s SER 101 Cb -0.10 -0.11 1.86 0.00 -1.71 0.00 0.00 66.02 65.96 3a0r s SER 101 CO 0.19 -0.50 2.05 2.19 1.20 0.00 0.00 173.24 178.36 3a0r h PHE 102 N 2.21 0.00 -2.52 3.44 -0.00 -2.06 -3.39 116.94 114.62 3a0r h PHE 102 Ca -0.40 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 57.01 3a0r h PHE 102 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.18 3a0r h PHE 102 CO 0.62 0.00 1.22 1.21 -0.00 0.00 0.00 178.31 181.36 3a0r s ASN 103 N -4.63 6.22 0.00 -0.68 3.84 -1.26 -4.87 114.94 113.56 3a0r s ASN 103 Ca -0.04 1.92 0.21 0.00 0.21 0.00 0.00 52.86 55.16 3a0r s ASN 103 Cb 0.10 -2.53 0.28 0.00 -0.55 0.00 0.00 41.25 38.56 3a0r s ASN 103 CO 0.31 -1.34 1.26 0.49 -2.79 0.00 0.00 177.10 175.03 3a0r n PHE 104 N 8.86 0.25 0.54 0.43 3.72 -1.26 -4.53 117.46 125.46 3a0r n PHE 104 Ca 0.21 -0.14 0.05 0.00 -0.05 0.00 0.00 57.45 57.52 3a0r n PHE 104 Cb 0.44 -0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.16 3a0r n PHE 104 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3a0r n ASP 105 N 1.25 2.50 -0.12 4.37 9.92 -1.26 -3.31 116.55 129.90 3a0r n ASP 105 Ca 0.15 -2.18 -0.23 0.00 -0.53 0.00 0.00 54.79 52.00 3a0r n ASP 105 Cb 0.54 -0.38 -0.10 0.00 -0.64 0.00 0.00 41.12 40.55 3a0r n ASP 105 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3a0r n GLU 106 N 0.48 0.56 -0.24 -1.24 2.13 -1.26 -4.37 120.64 116.70 3a0r n GLU 106 Ca 0.13 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 58.09 3a0r n GLU 106 Cb 0.47 -1.43 0.04 0.00 0.27 0.00 0.00 31.44 30.79 3a0r n GLU 106 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3a0r h LEU 107 N -0.59 0.86 -0.92 4.31 5.85 -1.88 -2.68 115.31 120.25 3a0r h LEU 107 Ca -0.60 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.10 3a0r h LEU 107 Cb 1.65 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.38 3a0r h LEU 107 CO -0.28 0.74 0.56 0.11 -0.34 0.00 0.00 178.44 179.22 3a0r h LYS 108 N 0.91 0.88 -0.01 1.25 1.57 -1.80 0.69 116.57 120.06 3a0r h LYS 108 Ca 0.23 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3a0r h LYS 108 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3a0r h LYS 108 CO -0.03 0.58 -0.48 0.93 -0.57 0.00 0.00 179.45 179.88 3a0r h GLU 109 N 0.90 0.03 0.00 3.15 5.08 -1.70 -2.57 114.58 119.47 3a0r h GLU 109 Ca 0.45 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.73 3a0r h GLU 109 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3a0r h GLU 109 CO -0.26 0.50 -1.91 1.63 -1.00 0.00 0.00 179.01 177.98 3a0r n LYS 110 N -3.97 0.66 -0.03 2.33 4.76 -0.40 -2.50 118.16 119.01 3a0r n LYS 110 Ca -0.02 -0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.16 3a0r n LYS 110 Cb 0.50 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 3a0r n LYS 110 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3a0r h VAL 111 N 0.00 1.28 -0.63 -0.18 2.07 0.26 -3.04 116.25 116.00 3a0r h VAL 111 Ca -0.10 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.45 3a0r h VAL 111 Cb 1.24 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 3a0r h VAL 111 CO 0.01 0.61 0.16 0.50 0.02 0.00 0.00 177.57 178.87 3a0r h LYS 112 N 0.56 0.99 0.34 1.57 1.63 -1.56 -3.24 116.57 116.86 3a0r h LYS 112 Ca -0.04 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 3a0r h LYS 112 Cb 1.34 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3a0r h LYS 112 CO 0.15 0.88 -0.16 -0.22 -3.45 0.00 0.00 179.45 176.65 3a0r h LYS 113 N 0.95 -0.43 -1.71 1.90 3.64 -1.53 -3.28 116.57 116.11 3a0r h LYS 113 Ca 0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3a0r h LYS 113 Cb 0.33 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3a0r h LYS 113 CO -0.00 -0.16 0.00 1.28 -2.27 0.00 0.00 179.45 178.29 3a0r n LEU 114 N -5.20 4.43 -2.07 5.20 4.77 -1.15 -3.24 117.00 119.74 3a0r n LEU 114 Ca -0.10 -2.04 -0.00 0.00 -0.03 0.00 0.00 56.01 53.84 3a0r n LEU 114 Cb 0.25 -0.90 0.05 0.00 -2.33 0.00 0.00 43.42 40.49 3a0r n LEU 114 CO 0.33 0.82 0.06 0.18 -1.33 0.00 0.00 177.39 177.45 3a0r n LEU 115 N 1.22 1.74 0.00 2.23 4.77 -1.24 -4.98 117.00 120.75 3a0r n LEU 115 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 3a0r n LEU 115 Cb 0.48 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3a0r n LEU 115 CO 0.00 0.95 0.00 -1.20 -1.33 0.00 0.00 177.39 175.81