#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q n LYS 13 N 0.00 0.00 -1.03 2.89 4.76 -1.26 -4.57 118.16 118.95 3i1q n LYS 13 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1q n LYS 13 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1q n LYS 13 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3i1q n GLN 14 N 0.00 0.00 -0.04 1.97 -0.06 -1.25 -5.01 117.38 113.00 3i1q n GLN 14 Ca 0.00 0.34 -0.03 0.00 -2.00 0.00 0.00 57.00 55.31 3i1q n GLN 14 Cb 0.00 -0.69 -0.07 0.00 -4.06 0.00 0.00 30.24 25.42 3i1q n GLN 14 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3i1q n VAL 15 N 0.09 0.52 0.00 1.69 3.14 0.93 -4.93 118.33 119.77 3i1q n VAL 15 Ca 0.00 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 3i1q n VAL 15 Cb 0.00 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 3i1q n VAL 15 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3i1q n SER 16 N -2.26 0.00 -3.74 6.55 3.41 0.25 -4.84 113.62 113.00 3i1q n SER 16 Ca -0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.24 3i1q n SER 16 Cb 0.71 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.48 3i1q n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3i1q s ASP 17 N 0.00 1.95 0.00 4.04 1.47 -1.26 0.75 116.67 123.62 3i1q s ASP 17 Ca 0.00 -0.30 0.00 0.00 1.18 0.00 0.00 52.55 53.43 3i1q s ASP 17 Cb 0.00 -0.44 0.00 0.00 -0.34 0.00 0.00 42.92 42.14 3i1q s ASP 17 CO 0.00 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.22 3i1q n GLY 18 N 5.15 5.83 2.90 2.12 0.00 -1.01 -4.16 105.19 116.01 3i1q n GLY 18 Ca -0.07 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 3i1q n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1q s VAL 19 N 1.09 -0.05 -0.41 1.61 1.01 0.23 -1.07 120.40 122.81 3i1q s VAL 19 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 3i1q s VAL 19 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3i1q s VAL 19 CO 0.00 0.08 0.64 0.00 0.00 0.00 0.00 175.10 175.82 3i1q s ALA 20 N 1.14 3.39 -0.27 5.51 0.00 -0.66 -1.16 121.76 129.71 3i1q s ALA 20 Ca -0.09 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 3i1q s ALA 20 Cb -0.12 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3i1q s ALA 20 CO -0.05 -1.61 0.15 -1.01 0.00 0.00 0.00 175.76 173.24 3i1q s HIS 21 N 2.79 3.18 -0.22 0.00 3.76 0.77 0.24 115.29 125.80 3i1q s HIS 21 Ca 0.23 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.11 3i1q s HIS 21 Cb -0.14 -2.34 0.05 0.00 1.11 0.00 0.00 32.58 31.26 3i1q s HIS 21 CO 0.17 -0.22 -0.12 0.96 -0.85 0.00 0.00 174.74 174.69 3i1q s ILE 22 N 1.72 1.89 -0.81 0.60 -4.36 -1.00 0.59 121.20 119.82 3i1q s ILE 22 Ca 0.07 -1.25 -0.20 0.00 -0.26 0.00 0.00 60.65 59.01 3i1q s ILE 22 Cb -0.16 -1.96 0.11 0.00 1.25 0.00 0.00 42.46 41.70 3i1q s ILE 22 CO 0.09 0.13 1.05 -2.28 0.24 0.00 0.00 174.94 174.17 3i1q s HIS 23 N 1.27 2.94 -1.17 1.37 5.65 0.86 -2.23 115.29 123.97 3i1q s HIS 23 Ca -0.04 -1.06 -0.09 0.00 0.25 0.00 0.00 55.06 54.13 3i1q s HIS 23 Cb -0.17 -4.28 0.23 0.00 -1.18 0.00 0.00 32.58 27.18 3i1q s HIS 23 CO -0.08 -1.54 1.45 0.00 -0.65 0.00 0.00 174.74 173.92 3i1q n ALA 24 N 6.99 4.58 -1.46 1.58 0.00 0.67 -1.68 120.51 131.19 3i1q n ALA 24 Ca 0.12 -4.50 -0.30 0.00 0.00 0.00 0.00 53.44 48.76 3i1q n ALA 24 Cb 0.47 -2.72 0.23 0.00 0.00 0.00 0.00 19.45 17.43 3i1q n ALA 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i1q s SER 25 N 0.99 1.59 0.19 0.00 1.04 -0.03 -2.68 113.70 114.80 3i1q s SER 25 Ca 0.36 0.36 0.10 0.00 0.48 0.00 0.00 55.95 57.25 3i1q s SER 25 Cb -0.01 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.67 3i1q s SER 25 CO 0.00 -3.68 1.38 -0.26 0.98 0.00 0.00 173.24 171.66 3i1q h PHE 26 N -2.29 0.00 0.00 5.02 -1.00 -1.94 -3.36 116.94 113.37 3i1q h PHE 26 Ca -0.43 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.14 3i1q h PHE 26 Cb 1.25 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.77 3i1q h PHE 26 CO -2.12 0.80 -2.12 0.09 -1.61 0.00 0.00 178.31 173.35 3i1q n ASN 27 N -3.38 0.10 -3.64 2.17 4.13 -1.26 -4.79 115.26 108.59 3i1q n ASN 27 Ca 0.00 0.05 -0.11 0.00 1.68 0.00 0.00 54.58 56.20 3i1q n ASN 27 Cb 0.83 1.28 -0.04 0.00 -1.54 0.00 0.00 39.78 40.31 3i1q n ASN 27 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3i1q s ASN 28 N -5.16 0.25 -0.08 6.41 3.84 -1.26 -3.92 114.94 115.02 3i1q s ASN 28 Ca -0.08 -1.14 -0.03 0.00 0.21 0.00 0.00 52.86 51.81 3i1q s ASN 28 Cb 0.09 0.64 0.05 0.00 -0.55 0.00 0.00 41.25 41.48 3i1q s ASN 28 CO 0.86 -1.25 0.17 -0.89 -2.79 0.00 0.00 177.10 173.20 3i1q s THR 29 N -3.52 -0.19 -0.12 -5.21 2.01 -1.26 -0.85 115.64 106.50 3i1q s THR 29 Ca 0.25 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.53 3i1q s THR 29 Cb -0.01 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 3i1q s THR 29 CO 0.13 0.12 -0.14 0.27 -0.69 0.00 0.00 174.62 174.30 3i1q s ILE 30 N 1.87 2.97 -0.25 1.82 -5.25 -0.68 0.18 121.20 121.87 3i1q s ILE 30 Ca -0.02 -0.70 -0.05 0.00 -0.99 0.00 0.00 60.65 58.89 3i1q s ILE 30 Cb -0.12 -2.23 -0.00 0.00 2.95 0.00 0.00 42.46 43.06 3i1q s ILE 30 CO -0.06 0.54 0.01 -0.69 -1.79 0.00 0.00 174.94 172.95 3i1q s VAL 31 N 0.20 3.68 -0.08 8.37 1.01 -1.15 -0.10 120.40 132.34 3i1q s VAL 31 Ca -0.09 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3i1q s VAL 31 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3i1q s VAL 31 CO 0.05 0.28 -0.20 -0.89 0.00 0.00 0.00 175.10 174.34 3i1q s THR 32 N 1.49 1.73 -0.20 3.92 2.01 0.20 -1.35 115.64 123.44 3i1q s THR 32 Ca 0.04 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 3i1q s THR 32 Cb -0.16 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 3i1q s THR 32 CO -0.00 0.49 0.05 -0.63 -0.69 0.00 0.00 174.62 173.83 3i1q s ILE 33 N 0.36 4.43 0.41 1.82 -1.09 0.31 -0.16 121.20 127.28 3i1q s ILE 33 Ca -0.15 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 3i1q s ILE 33 Cb -0.16 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3i1q s ILE 33 CO 0.06 0.42 0.07 0.28 -1.23 0.00 0.00 174.94 174.54 3i1q s THR 34 N 0.84 1.03 0.68 2.92 -1.32 -0.31 0.61 115.64 120.10 3i1q s THR 34 Ca 0.03 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.41 3i1q s THR 34 Cb -0.14 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 3i1q s THR 34 CO 0.02 0.00 1.05 1.51 -2.21 0.00 0.00 174.62 174.99 3i1q s ASP 35 N -3.64 5.41 0.31 8.08 1.47 -1.26 -0.60 116.67 126.44 3i1q s ASP 35 Ca 0.25 0.98 0.07 0.00 1.18 0.00 0.00 52.55 55.03 3i1q s ASP 35 Cb 0.05 -1.81 0.80 0.00 -0.34 0.00 0.00 42.92 41.62 3i1q s ASP 35 CO 0.13 -1.31 1.75 0.03 0.68 0.00 0.00 175.17 176.45 3i1q h ARG 36 N -0.55 0.64 0.00 2.11 3.08 -1.85 0.99 114.38 118.81 3i1q h ARG 36 Ca -0.45 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 3i1q h ARG 36 Cb 1.26 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3i1q h ARG 36 CO 0.63 0.43 -0.13 1.96 -1.07 0.00 0.00 179.97 181.78 3i1q h GLN 37 N 0.66 0.00 -1.89 0.04 1.08 -1.95 -3.49 115.11 109.57 3i1q h GLN 37 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 3i1q h GLN 37 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3i1q h GLN 37 CO -0.43 0.13 0.00 0.41 -0.95 0.00 0.00 178.83 177.99 3i1q n GLY 38 N 0.61 -1.77 0.04 3.46 0.00 0.34 -5.07 105.19 102.79 3i1q n GLY 38 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i1q n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1q n ASN 39 N 0.00 0.00 -0.85 1.61 3.02 -1.26 -4.87 115.26 112.91 3i1q n ASN 39 Ca 0.00 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3i1q n ASN 39 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3i1q n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1q n ALA 40 N 0.00 -2.53 0.00 5.41 0.00 -1.26 -4.89 120.51 117.23 3i1q n ALA 40 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3i1q n ALA 40 Cb 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3i1q n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1q n LEU 41 N -0.07 0.00 0.00 0.00 4.77 0.20 -4.80 117.00 117.11 3i1q n LEU 41 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1q n LEU 41 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i1q n LEU 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3i1q n GLY 42 N 1.62 2.10 3.14 -0.72 0.00 -1.11 -4.91 105.19 105.31 3i1q n GLY 42 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 3i1q n GLY 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3i1q s TRP 43 N -2.00 0.42 -0.21 1.61 1.48 -1.26 -0.53 118.94 118.45 3i1q s TRP 43 Ca 0.00 -0.91 -0.07 0.00 -1.06 0.00 0.00 56.10 54.06 3i1q s TRP 43 Cb 0.00 -0.28 0.10 0.00 -1.16 0.00 0.00 33.47 32.13 3i1q s TRP 43 CO 0.00 -0.46 0.44 0.00 -4.06 0.00 0.00 176.95 172.87 3i1q s ALA 44 N -3.91 -1.25 0.12 2.67 0.00 -0.46 -4.81 121.76 114.13 3i1q s ALA 44 Ca 0.08 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 3i1q s ALA 44 Cb 0.07 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 3i1q s ALA 44 CO -0.09 -0.82 0.47 0.95 0.00 0.00 0.00 175.76 176.27 3i1q s THR 45 N 2.64 5.00 0.12 0.00 -4.23 -1.26 -2.91 115.64 115.00 3i1q s THR 45 Ca -0.01 0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 60.76 3i1q s THR 45 Cb -0.12 -3.67 -0.07 0.00 1.34 0.00 0.00 72.50 69.98 3i1q s THR 45 CO -0.14 0.21 1.60 0.00 -0.54 0.00 0.00 174.62 175.75 3i1q h ALA 46 N 3.45 -0.59 -0.24 3.99 0.00 -0.55 -1.81 119.26 123.50 3i1q h ALA 46 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3i1q h ALA 46 Cb 1.19 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3i1q h ALA 46 CO 0.67 -0.91 0.15 0.78 0.00 0.00 0.00 179.25 179.94 3i1q h GLY 47 N -0.54 0.35 0.78 0.00 0.00 -1.82 -2.67 103.07 99.17 3i1q h GLY 47 Ca 0.05 -0.15 0.12 0.00 0.00 0.00 0.00 47.33 47.35 3i1q h GLY 47 CO -0.30 0.14 0.49 -1.33 0.00 0.00 0.00 176.54 175.55 3i1q h GLY 48 N 0.30 0.00 -4.01 4.60 0.00 -1.69 -1.55 103.07 100.72 3i1q h GLY 48 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.17 3i1q h GLY 48 CO -0.02 0.00 -0.15 1.44 0.00 0.00 0.00 176.54 177.81 3i1q n SER 49 N -3.57 5.57 0.00 0.19 7.64 -0.74 -4.92 113.62 117.78 3i1q n SER 49 Ca 0.07 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.30 3i1q n SER 49 Cb 0.66 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 3i1q n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1q n GLY 50 N 1.97 1.61 3.50 0.23 0.00 -0.58 -4.96 105.19 106.97 3i1q n GLY 50 Ca 0.40 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3i1q n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i1q n PHE 51 N 0.00 0.41 -4.41 1.61 -0.00 -1.26 -4.94 117.46 108.88 3i1q n PHE 51 Ca 0.00 0.78 -0.20 0.00 -0.00 0.00 0.00 57.45 58.03 3i1q n PHE 51 Cb 0.00 -2.11 -0.10 0.00 -0.00 0.00 0.00 39.48 37.26 3i1q n PHE 51 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3i1q s ARG 52 N -1.37 1.57 6.35 3.97 1.81 -1.26 -3.89 118.95 126.13 3i1q s ARG 52 Ca 0.61 -1.86 0.00 0.00 -1.72 0.00 0.00 55.73 52.76 3i1q s ARG 52 Cb -0.76 -0.67 0.00 0.00 -0.45 0.00 0.00 34.95 33.06 3i1q s ARG 52 CO 0.58 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 3i1q n GLY 53 N -0.61 2.20 0.00 -3.53 0.00 -1.26 -1.84 105.19 100.15 3i1q n GLY 53 Ca -0.02 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.60 3i1q n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1q n SER 54 N 4.13 0.00 -0.05 1.61 3.41 -1.26 -1.31 113.62 120.15 3i1q n SER 54 Ca 0.00 0.46 -0.10 0.00 -0.26 0.00 0.00 58.87 58.98 3i1q n SER 54 Cb 0.00 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 3i1q n SER 54 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i1q h ARG 55 N 0.00 -0.03 0.00 4.33 2.47 -1.72 -3.35 114.38 116.09 3i1q h ARG 55 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 3i1q h ARG 55 Cb 0.13 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 3i1q h ARG 55 CO 0.00 0.61 -0.29 1.57 0.56 0.00 0.00 179.97 182.42 3i1q h LYS 56 N -0.97 0.00 -0.41 0.04 2.10 -1.34 -3.14 116.57 112.86 3i1q h LYS 56 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i1q h LYS 56 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 3i1q h LYS 56 CO 0.00 0.29 0.00 0.43 -2.00 0.00 0.00 179.45 178.18 3i1q n SER 57 N -4.19 0.41 -4.68 7.07 7.64 -0.43 -4.63 113.62 114.81 3i1q n SER 57 Ca -0.02 -1.07 -0.24 0.00 1.01 0.00 0.00 58.87 58.55 3i1q n SER 57 Cb 0.34 -0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 3i1q n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i1q s THR 58 N -1.24 3.70 0.22 0.44 -4.23 -1.19 -4.66 115.64 108.69 3i1q s THR 58 Ca 0.00 -1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 3i1q s THR 58 Cb 0.00 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 71.06 3i1q s THR 58 CO 0.00 -0.29 1.80 1.55 -0.54 0.00 0.00 174.62 177.14 3i1q h PRO 59 N 2.06 1.18 -0.49 3.99 0.13 -1.91 -2.61 132.00 134.35 3i1q h PRO 59 Ca -0.46 -0.20 0.06 0.00 -0.87 0.00 0.00 66.00 64.53 3i1q h PRO 59 Cb 1.23 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 3i1q h PRO 59 CO 0.60 0.94 0.19 0.35 -0.23 0.00 0.00 178.00 179.85 3i1q h PHE 60 N 1.16 0.35 -0.77 1.56 3.57 -1.94 -2.33 116.94 118.54 3i1q h PHE 60 Ca 0.27 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.90 3i1q h PHE 60 Cb 0.19 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 3i1q h PHE 60 CO 0.02 0.14 0.39 0.00 -2.23 0.00 0.00 178.31 176.63 3i1q h ALA 61 N 1.31 1.09 0.00 2.41 0.00 -1.72 -0.86 119.26 121.48 3i1q h ALA 61 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i1q h ALA 61 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i1q h ALA 61 CO -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3i1q n ALA 62 N -2.41 1.98 0.09 0.00 0.00 -0.95 -2.26 120.51 116.97 3i1q n ALA 62 Ca 0.13 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 3i1q n ALA 62 Cb 0.31 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.20 3i1q n ALA 62 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i1q h GLN 63 N 0.00 0.50 0.00 0.00 4.15 -0.65 -2.85 115.11 116.26 3i1q h GLN 63 Ca 0.00 -0.75 -0.03 0.00 0.77 0.00 0.00 58.65 58.64 3i1q h GLN 63 Cb 0.52 0.26 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 3i1q h GLN 63 CO 0.00 1.34 -0.15 -0.39 -1.93 0.00 0.00 178.83 177.70 3i1q h VAL 64 N 0.04 0.28 0.00 2.39 -1.51 -1.22 -0.67 116.25 115.55 3i1q h VAL 64 Ca -0.19 -1.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.00 3i1q h VAL 64 Cb 1.87 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 33.04 3i1q h VAL 64 CO 0.22 0.15 -0.24 0.00 -1.23 0.00 0.00 177.57 176.46 3i1q h ALA 65 N 1.85 0.86 0.00 5.19 0.00 -1.57 -2.65 119.26 122.94 3i1q h ALA 65 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3i1q h ALA 65 Cb 1.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3i1q h ALA 65 CO 0.02 0.21 -0.53 0.00 0.00 0.00 0.00 179.25 178.94 3i1q h ALA 66 N 1.84 0.67 0.02 0.00 0.00 -1.04 -2.57 119.26 118.18 3i1q h ALA 66 Ca -0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i1q h ALA 66 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i1q h ALA 66 CO 0.02 0.66 -0.01 0.93 0.00 0.00 0.00 179.25 180.85 3i1q h GLU 67 N 0.00 -0.03 -0.08 0.00 5.08 -1.12 -2.83 114.58 115.59 3i1q h GLU 67 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3i1q h GLU 67 Cb 1.38 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 3i1q h GLU 67 CO 0.07 0.34 0.07 0.00 -1.00 0.00 0.00 179.01 178.49 3i1q h ARG 68 N -0.99 0.00 -0.09 2.33 3.08 -1.61 0.40 114.38 117.50 3i1q h ARG 68 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3i1q h ARG 68 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3i1q h ARG 68 CO 0.01 0.00 -0.50 0.00 -1.07 0.00 0.00 179.97 178.41 3i1q h ALA 70 N 1.31 1.00 -2.41 0.00 0.00 0.02 -3.39 119.26 115.78 3i1q h ALA 70 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3i1q h ALA 70 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3i1q h ALA 70 CO 0.08 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.67 3i1q s ASP 71 N -5.42 6.72 -1.47 0.00 -1.08 -0.50 -3.47 116.67 111.45 3i1q s ASP 71 Ca 0.02 1.12 -0.01 0.00 -0.52 0.00 0.00 52.55 53.15 3i1q s ASP 71 Cb 0.09 -2.31 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 3i1q s ASP 71 CO 0.52 -0.14 0.13 0.00 0.52 0.00 0.00 175.17 176.20 3i1q n ALA 72 N -0.22 -0.76 0.00 3.66 0.00 -1.26 -4.75 120.51 117.18 3i1q n ALA 72 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3i1q n ALA 72 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3i1q n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1q n VAL 73 N -3.88 0.00 0.37 0.00 0.24 -1.25 -4.77 118.33 109.04 3i1q n VAL 73 Ca -0.18 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.15 3i1q n VAL 73 Cb 0.64 -0.04 0.18 0.00 -1.47 0.00 0.00 33.84 33.15 3i1q n VAL 73 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i1q n LYS 74 N -0.59 0.18 0.12 7.34 4.81 -1.23 -1.03 118.16 127.77 3i1q n LYS 74 Ca 0.00 0.03 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 3i1q n LYS 74 Cb 0.02 -1.50 0.44 0.00 0.02 0.00 0.00 35.03 34.01 3i1q n LYS 74 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i1q h GLU 75 N 0.00 0.26 -0.95 1.64 4.39 -1.91 -0.05 114.58 117.96 3i1q h GLU 75 Ca 0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3i1q h GLU 75 Cb 0.01 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3i1q h GLU 75 CO 0.00 0.31 0.11 0.66 -1.16 0.00 0.00 179.01 178.93 3i1q n TYR 76 N -4.36 0.76 -3.44 4.33 4.02 -0.20 -4.09 117.16 114.19 3i1q n TYR 76 Ca -0.00 -0.59 -0.18 0.00 -0.01 0.00 0.00 57.90 57.11 3i1q n TYR 76 Cb 0.20 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 3i1q n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1q n GLY 77 N 0.09 -0.94 3.92 2.72 0.00 -0.03 -0.05 105.19 110.90 3i1q n GLY 77 Ca 0.13 0.45 -0.25 0.00 0.00 0.00 0.00 46.02 46.34 3i1q n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1q s ILE 78 N -2.70 5.14 0.11 -0.61 -4.36 -1.26 -0.58 121.20 116.94 3i1q s ILE 78 Ca 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 3i1q s ILE 78 Cb -0.00 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.05 3i1q s ILE 78 CO 0.65 -0.13 0.00 0.29 0.24 0.00 0.00 174.94 175.99 3i1q n LYS 79 N -0.62 0.00 -3.54 0.37 4.01 0.23 -4.89 118.16 113.72 3i1q n LYS 79 Ca -0.07 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.32 3i1q n LYS 79 Cb 0.55 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.96 3i1q n LYS 79 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i1q s ASN 80 N -4.13 5.94 0.04 4.39 4.22 -0.70 -1.22 114.94 123.47 3i1q s ASN 80 Ca 0.00 -0.64 0.03 0.00 -2.14 0.00 0.00 52.86 50.11 3i1q s ASN 80 Cb 0.00 -2.11 -0.02 0.00 1.28 0.00 0.00 41.25 40.40 3i1q s ASN 80 CO 0.00 -0.30 -0.10 -1.48 -2.04 0.00 0.00 177.10 173.18 3i1q s LEU 81 N 1.67 2.20 -0.19 3.54 2.34 -1.21 -2.41 118.68 124.61 3i1q s LEU 81 Ca 0.05 -0.47 -0.11 0.00 0.06 0.00 0.00 54.13 53.66 3i1q s LEU 81 Cb -0.18 -0.35 -0.05 0.00 -0.56 0.00 0.00 46.19 45.05 3i1q s LEU 81 CO 0.09 -0.08 0.18 -1.83 -1.06 0.00 0.00 176.35 173.65 3i1q s GLU 82 N -1.28 4.20 0.15 1.48 1.03 -0.24 -2.08 118.70 121.97 3i1q s GLU 82 Ca -0.04 -0.13 -0.30 0.00 0.03 0.00 0.00 54.97 54.53 3i1q s GLU 82 Cb -0.08 -3.44 -0.07 0.00 -0.80 0.00 0.00 34.13 29.74 3i1q s GLU 82 CO 0.01 0.25 0.98 0.08 -1.33 0.00 0.00 175.26 175.25 3i1q s VAL 83 N 0.48 4.28 -0.27 1.83 1.01 -0.13 -1.66 120.40 125.94 3i1q s VAL 83 Ca 0.10 1.99 -0.00 0.00 0.00 0.00 0.00 61.98 64.08 3i1q s VAL 83 Cb -0.12 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.07 3i1q s VAL 83 CO 0.00 0.35 0.04 -0.04 0.00 0.00 0.00 175.10 175.46 3i1q s MET 84 N -0.35 1.04 0.23 2.72 -1.94 0.14 -1.46 119.30 119.67 3i1q s MET 84 Ca 0.46 -1.03 -0.05 0.00 -1.71 0.00 0.00 55.69 53.36 3i1q s MET 84 Cb -0.25 -2.32 -0.06 0.00 2.01 0.00 0.00 34.83 34.21 3i1q s MET 84 CO 0.31 -0.81 0.49 0.08 -0.01 0.00 0.00 175.02 175.08 3i1q s VAL 85 N 1.52 5.06 -0.18 -6.03 1.01 -1.15 -2.39 120.40 118.25 3i1q s VAL 85 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3i1q s VAL 85 Cb -0.18 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.58 3i1q s VAL 85 CO -0.15 -0.16 0.42 -0.75 0.00 0.00 0.00 175.10 174.47 3i1q s LYS 86 N -3.13 0.39 0.00 2.72 2.20 -0.95 0.53 119.74 121.50 3i1q s LYS 86 Ca 0.43 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 3i1q s LYS 86 Cb -0.11 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 3i1q s LYS 86 CO 0.27 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 3i1q n GLY 87 N 4.40 -1.71 0.00 5.54 0.00 -1.26 -0.24 105.19 111.92 3i1q n GLY 87 Ca -0.22 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3i1q n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1q n PRO 88 N -1.02 0.32 -0.00 1.61 -0.04 -1.09 -4.53 135.00 130.24 3i1q n PRO 88 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i1q n PRO 88 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i1q n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1q n GLY 89 N 5.00 -2.20 3.29 0.55 0.00 -1.26 -4.00 105.19 106.57 3i1q n GLY 89 Ca 0.00 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 3i1q n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1q n PRO 90 N -0.61 -3.55 -1.02 1.61 -0.04 -1.26 -3.68 135.00 126.45 3i1q n PRO 90 Ca 0.00 -1.04 -0.01 0.00 -0.04 0.00 0.00 63.50 62.42 3i1q n PRO 90 Cb 0.00 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3i1q n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1q n GLY 91 N 1.65 0.23 0.14 0.55 0.00 -1.26 -4.73 105.19 101.75 3i1q n GLY 91 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3i1q n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i1q h ARG 92 N 0.32 0.27 0.00 1.61 2.43 -1.89 -3.35 114.38 113.77 3i1q h ARG 92 Ca -0.01 -0.46 -0.15 0.00 -0.81 0.00 0.00 59.98 58.55 3i1q h ARG 92 Cb 0.68 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3i1q h ARG 92 CO 0.02 1.18 -1.51 -1.91 -1.51 0.00 0.00 179.97 176.24 3i1q n GLU 93 N -3.47 0.20 0.18 0.20 2.13 -1.26 -4.59 120.64 114.03 3i1q n GLU 93 Ca -0.29 0.07 0.19 0.00 0.66 0.00 0.00 57.16 57.79 3i1q n GLU 93 Cb 1.05 -0.94 0.79 0.00 0.27 0.00 0.00 31.44 32.62 3i1q n GLU 93 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3i1q h SER 94 N -0.23 0.00 0.10 4.31 0.87 -1.89 -1.11 113.55 115.60 3i1q h SER 94 Ca -0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3i1q h SER 94 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3i1q h SER 94 CO -0.11 0.00 -0.05 0.00 -0.53 0.00 0.00 176.83 176.15 3i1q h THR 95 N 0.00 1.00 0.00 2.23 1.03 -1.81 -2.94 112.91 112.42 3i1q h THR 95 Ca 0.12 -0.33 -0.00 0.00 -0.01 0.00 0.00 66.41 66.18 3i1q h THR 95 Cb 0.81 1.21 -0.00 0.00 -1.07 0.00 0.00 68.15 69.11 3i1q h THR 95 CO -0.00 0.08 -0.02 0.16 -0.01 0.00 0.00 175.52 175.73 3i1q h ILE 96 N -0.28 0.19 0.00 0.00 3.07 -1.47 -3.19 117.51 115.83 3i1q h ILE 96 Ca -0.01 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.21 3i1q h ILE 96 Cb 0.23 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 3i1q h ILE 96 CO 0.02 0.02 0.00 0.54 -1.05 0.00 0.00 178.15 177.68 3i1q n ARG 97 N -3.31 0.00 0.00 0.16 5.12 -1.11 0.45 116.66 117.97 3i1q n ARG 97 Ca -0.02 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 3i1q n ARG 97 Cb 0.14 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 3i1q n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1q n ALA 98 N -1.75 2.10 -0.00 7.54 0.00 -1.21 -2.27 120.51 124.92 3i1q n ALA 98 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 98 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 3i1q n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1q n LEU 99 N 0.36 0.26 0.14 0.00 7.94 -0.96 -4.45 117.00 120.28 3i1q n LEU 99 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3i1q n LEU 99 Cb 0.24 -0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.12 3i1q n LEU 99 CO 0.00 0.05 0.51 -1.13 -1.11 0.00 0.00 177.39 175.71 3i1q h ASN 100 N -0.01 -1.03 -1.35 1.96 -0.73 0.44 -2.92 115.58 111.94 3i1q h ASN 100 Ca -0.00 0.10 -0.75 0.00 1.87 0.00 0.00 56.30 57.51 3i1q h ASN 100 Cb 1.00 0.36 -0.15 0.00 0.27 0.00 0.00 38.32 39.81 3i1q h ASN 100 CO -0.00 -0.42 2.16 0.00 -0.37 0.00 0.00 177.43 178.80 3i1q n ALA 101 N -2.71 6.16 -0.02 1.57 0.00 -0.96 -3.85 120.51 120.70 3i1q n ALA 101 Ca -0.07 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.15 3i1q n ALA 101 Cb 0.30 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.93 3i1q n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q n ALA 102 N 2.49 0.00 0.00 0.00 0.00 -1.10 -4.78 120.51 117.12 3i1q n ALA 102 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3i1q n ALA 102 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3i1q n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1q n GLY 103 N 0.00 0.55 2.90 0.00 0.00 -1.25 -5.03 105.19 102.36 3i1q n GLY 103 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3i1q n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1q s PHE 104 N -0.82 -0.23 -0.84 1.61 0.08 -1.25 -4.72 117.98 111.82 3i1q s PHE 104 Ca 0.00 0.66 -0.22 0.00 0.12 0.00 0.00 56.93 57.49 3i1q s PHE 104 Cb 0.00 -0.16 0.09 0.00 -0.57 0.00 0.00 43.02 42.38 3i1q s PHE 104 CO 0.00 -0.26 1.14 0.50 -0.10 0.00 0.00 175.22 176.50 3i1q s ARG 105 N 1.97 3.39 0.03 0.44 3.52 -0.36 -4.60 118.95 123.34 3i1q s ARG 105 Ca -0.01 -1.20 -0.32 0.00 -0.13 0.00 0.00 55.73 54.08 3i1q s ARG 105 Cb -0.12 -4.69 -0.10 0.00 -1.56 0.00 0.00 34.95 28.47 3i1q s ARG 105 CO -0.06 -1.90 1.91 1.51 -0.81 0.00 0.00 175.30 175.95 3i1q n ILE 106 N 5.97 0.61 0.00 4.11 0.00 -1.26 -3.34 119.36 125.45 3i1q n ILE 106 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 62.75 62.78 3i1q n ILE 106 Cb 0.48 -2.13 0.00 0.00 0.00 0.00 0.00 39.64 37.99 3i1q n ILE 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3i1q n THR 107 N 5.19 0.00 -4.38 9.51 -1.04 -0.88 -4.92 114.28 117.76 3i1q n THR 107 Ca 0.20 0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 62.01 3i1q n THR 107 Cb 0.37 -0.02 -0.16 0.00 -1.82 0.00 0.00 70.33 68.70 3i1q n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3i1q s ASN 108 N -1.01 1.23 0.07 8.00 0.02 -1.26 -5.00 114.94 116.99 3i1q s ASN 108 Ca 0.00 -0.19 0.05 0.00 -1.02 0.00 0.00 52.86 51.70 3i1q s ASN 108 Cb 0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 41.25 40.84 3i1q s ASN 108 CO 0.00 0.04 -0.05 -0.63 0.02 0.00 0.00 177.10 176.49 3i1q s ILE 109 N 0.35 3.72 0.06 0.60 1.01 -1.26 -0.96 121.20 124.71 3i1q s ILE 109 Ca -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.58 3i1q s ILE 109 Cb -0.10 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3i1q s ILE 109 CO 0.01 0.19 0.06 0.35 0.00 0.00 0.00 174.94 175.55 3i1q n THR 110 N 0.86 0.00 -3.71 2.92 -2.24 -0.54 -4.95 114.28 106.63 3i1q n THR 110 Ca -0.13 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3i1q n THR 110 Cb 0.52 0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 3i1q n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i1q s ASP 111 N -1.39 -0.40 -0.27 3.42 -1.08 -1.26 -2.91 116.67 112.78 3i1q s ASP 111 Ca 0.06 0.72 0.13 0.00 -0.52 0.00 0.00 52.55 52.94 3i1q s ASP 111 Cb 0.00 0.61 0.47 0.00 -1.46 0.00 0.00 42.92 42.55 3i1q s ASP 111 CO 0.04 -0.18 1.16 1.33 0.52 0.00 0.00 175.17 178.05 3i1q n VAL 112 N 4.18 2.06 -1.85 1.11 0.24 0.19 -4.92 118.33 119.34 3i1q n VAL 112 Ca -0.24 -3.71 -0.42 0.00 -2.04 0.00 0.00 64.34 57.93 3i1q n VAL 112 Cb 0.54 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.62 3i1q n VAL 112 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1q s THR 113 N -4.23 3.00 -0.20 3.34 -4.23 -1.26 -4.83 115.64 107.24 3i1q s THR 113 Ca 0.42 0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 60.97 3i1q s THR 113 Cb 0.38 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.92 3i1q s THR 113 CO 0.01 -0.01 2.14 -2.65 -0.54 0.00 0.00 174.62 173.57 3i1q n PRO 114 N 6.18 1.90 -3.80 3.99 -0.02 -1.26 -4.94 135.00 137.05 3i1q n PRO 114 Ca 0.17 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 3i1q n PRO 114 Cb 0.40 -2.95 -0.11 0.00 -0.02 0.00 0.00 33.50 30.82 3i1q n PRO 114 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1q s ILE 115 N 7.05 3.34 0.91 4.25 -1.09 -1.26 -5.10 121.20 129.30 3i1q s ILE 115 Ca 1.00 -3.35 -0.11 0.00 -2.23 0.00 0.00 60.65 55.96 3i1q s ILE 115 Cb -0.52 -3.20 0.12 0.00 -1.58 0.00 0.00 42.46 37.28 3i1q s ILE 115 CO 0.42 -0.90 1.00 -0.81 -1.23 0.00 0.00 174.94 173.42 3i1q n PRO 116 N 3.03 -0.34 -2.38 2.79 -0.04 -1.26 -4.93 135.00 131.87 3i1q n PRO 116 Ca 0.10 -0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 3i1q n PRO 116 Cb 0.35 -2.28 0.03 0.00 -0.04 0.00 0.00 33.50 31.56 3i1q n PRO 116 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i1q n HIS 117 N -3.98 2.83 -2.54 0.54 8.25 -1.26 -4.92 115.22 114.13 3i1q n HIS 117 Ca 0.11 -2.48 -0.01 0.00 -0.26 0.00 0.00 57.72 55.08 3i1q n HIS 117 Cb 0.52 -1.21 -0.01 0.00 1.12 0.00 0.00 29.99 30.41 3i1q n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i1q n ASN 118 N -0.18 -4.31 0.00 0.41 5.03 -1.26 -5.04 115.26 109.91 3i1q n ASN 118 Ca 0.50 1.24 0.00 0.00 0.87 0.00 0.00 54.58 57.19 3i1q n ASN 118 Cb 0.25 -3.08 0.00 0.00 -1.02 0.00 0.00 39.78 35.93 3i1q n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i1q n GLY 119 N 2.08 -1.10 3.68 7.41 0.00 -1.26 -5.11 105.19 110.90 3i1q n GLY 119 Ca -0.10 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i1q n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q n ARG 121 N 5.53 2.43 -2.80 0.00 0.63 -1.26 -4.98 116.66 116.21 3i1q n ARG 121 Ca 0.12 0.87 -0.41 0.00 -0.92 0.00 0.00 57.85 57.51 3i1q n ARG 121 Cb 0.45 -2.64 -0.04 0.00 0.45 0.00 0.00 32.46 30.68 3i1q n ARG 121 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3i1q s PRO 122 N 0.31 4.62 -0.18 -0.14 0.04 -1.26 -5.02 135.00 133.37 3i1q s PRO 122 Ca 0.72 1.33 -0.40 0.00 0.04 0.00 0.00 61.00 62.69 3i1q s PRO 122 Cb -0.58 -3.38 -0.16 0.00 0.04 0.00 0.00 34.50 30.41 3i1q s PRO 122 CO 0.42 0.20 1.58 -0.35 0.04 0.00 0.00 177.00 178.89 3i1q n PRO 123 N 2.94 1.01 0.33 0.56 -0.04 -1.26 -4.93 135.00 133.60 3i1q n PRO 123 Ca 0.01 0.37 -0.19 0.00 -0.04 0.00 0.00 63.50 63.65 3i1q n PRO 123 Cb 0.50 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 3i1q n PRO 123 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i1q h LYS 124 N 6.07 -1.03 0.00 0.54 3.11 -2.05 -3.47 116.57 119.75 3i1q h LYS 124 Ca -0.47 0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.41 3i1q h LYS 124 Cb 1.33 0.23 0.02 0.00 -1.00 0.00 0.00 32.23 32.82 3i1q h LYS 124 CO 0.89 -0.68 -0.02 0.36 -2.81 0.00 0.00 179.45 177.19 3i1q n LYS 125 N -5.58 1.31 0.00 1.90 0.00 -1.26 -4.85 118.16 109.68 3i1q n LYS 125 Ca -0.13 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.04 3i1q n LYS 125 Cb 0.48 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.46 3i1q n LYS 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1q n ARG 126 N 2.01 0.00 -2.17 -1.58 5.12 -1.26 -5.06 116.66 113.71 3i1q n ARG 126 Ca 0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.57 3i1q n ARG 126 Cb 0.06 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.32 3i1q n ARG 126 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i1q s ARG 127 N -0.46 2.79 0.00 5.56 3.00 -1.26 -5.33 118.95 123.25 3i1q s ARG 127 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 55.73 55.80 3i1q s ARG 127 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 34.95 30.32 3i1q s ARG 127 CO 0.00 -2.76 0.01 1.33 0.00 0.00 0.00 175.30 173.87