#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2b s ARG 9 N 0.00 3.54 0.05 2.89 0.52 -1.26 -5.11 118.95 119.57 3i2b s ARG 9 Ca 0.00 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 3i2b s ARG 9 Cb 0.00 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 3i2b s ARG 9 CO 0.00 -0.09 -0.10 0.00 0.02 0.00 0.00 175.30 175.13 3i2b s GLN 11 N -1.51 3.39 0.17 0.00 -1.52 -1.26 -0.28 119.66 118.64 3i2b s GLN 11 Ca -0.06 -0.23 -0.12 0.00 -1.95 0.00 0.00 55.36 53.00 3i2b s GLN 11 Cb -0.09 -3.12 0.01 0.00 -0.22 0.00 0.00 33.01 29.58 3i2b s GLN 11 CO 0.01 0.73 0.36 0.00 -0.25 0.00 0.00 175.29 176.14 3i2b s ALA 12 N -1.13 -0.35 -0.13 6.09 0.00 -0.46 -4.91 121.76 120.87 3i2b s ALA 12 Ca 0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 3i2b s ALA 12 Cb -0.12 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3i2b s ALA 12 CO 0.09 -0.68 -0.10 -0.65 0.00 0.00 0.00 175.76 174.42 3i2b s GLN 13 N -3.92 3.41 -0.06 0.00 -0.21 -1.26 -2.15 119.66 115.47 3i2b s GLN 13 Ca 0.13 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 54.92 3i2b s GLN 13 Cb 0.02 -2.71 -0.00 0.00 1.00 0.00 0.00 33.01 31.32 3i2b s GLN 13 CO -0.02 0.26 -0.19 0.08 -2.12 0.00 0.00 175.29 173.30 3i2b s VAL 14 N 0.26 1.61 0.09 1.09 1.01 -0.37 -4.97 120.40 119.12 3i2b s VAL 14 Ca -0.07 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3i2b s VAL 14 Cb -0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3i2b s VAL 14 CO 0.05 0.46 -0.20 -0.44 0.00 0.00 0.00 175.10 174.96 3i2b s SER 15 N 0.19 2.45 -0.03 3.32 0.01 -1.26 -0.66 113.70 117.71 3i2b s SER 15 Ca -0.09 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.55 3i2b s SER 15 Cb -0.14 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.95 3i2b s SER 15 CO 0.04 0.06 -0.10 -0.60 0.41 0.00 0.00 173.24 173.06 3i2b s ARG 16 N -1.76 1.02 -0.13 12.44 3.52 -0.52 -4.97 118.95 128.55 3i2b s ARG 16 Ca 0.06 -0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 3i2b s ARG 16 Cb -0.10 -0.94 -0.03 0.00 -1.56 0.00 0.00 34.95 32.32 3i2b s ARG 16 CO 0.04 0.12 -0.05 0.50 -0.81 0.00 0.00 175.30 175.10 3i2b s ARG 17 N 0.18 3.39 0.26 5.12 3.52 -1.26 -1.34 118.95 128.83 3i2b s ARG 17 Ca -0.03 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 3i2b s ARG 17 Cb -0.09 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 3i2b s ARG 17 CO 0.01 0.37 0.08 0.96 -0.81 0.00 0.00 175.30 175.91 3i2b s ILE 18 N -0.00 0.70 0.18 4.11 -4.36 -0.12 -4.98 121.20 116.73 3i2b s ILE 18 Ca 0.00 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 3i2b s ILE 18 Cb -0.13 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 3i2b s ILE 18 CO 0.03 -0.04 -0.15 -0.94 0.24 0.00 0.00 174.94 174.07 3i2b s SER 19 N -3.33 2.45 0.03 4.36 1.04 -1.26 -0.36 113.70 116.63 3i2b s SER 19 Ca 0.36 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.81 3i2b s SER 19 Cb 0.08 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 3i2b s SER 19 CO 0.13 -0.15 0.04 0.72 0.98 0.00 0.00 173.24 174.96 3i2b s PHE 20 N -2.66 0.28 -0.17 5.02 -0.71 -0.28 -5.00 117.98 114.46 3i2b s PHE 20 Ca 0.18 -0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 55.39 3i2b s PHE 20 Cb -0.02 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 3i2b s PHE 20 CO 0.06 -0.32 0.07 -1.12 -1.34 0.00 0.00 175.22 172.57 3i2b s SER 21 N -2.08 5.73 0.07 1.98 0.01 -1.26 0.23 113.70 118.38 3i2b s SER 21 Ca -0.06 0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.21 3i2b s SER 21 Cb -0.02 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.29 3i2b s SER 21 CO -0.04 0.22 0.29 0.00 0.41 0.00 0.00 173.24 174.12 3i2b s ALA 22 N 0.11 -0.61 0.26 1.44 0.00 -0.89 0.12 121.76 122.18 3i2b s ALA 22 Ca 0.06 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 51.92 3i2b s ALA 22 Cb -0.12 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 3i2b s ALA 22 CO 0.00 -0.49 0.09 -1.54 0.00 0.00 0.00 175.76 173.83 3i2b s SER 23 N -2.46 5.03 0.26 0.00 1.04 -0.41 -0.96 113.70 116.20 3i2b s SER 23 Ca -0.00 -0.45 -0.21 0.00 0.48 0.00 0.00 55.95 55.77 3i2b s SER 23 Cb 0.01 -1.12 0.05 0.00 0.10 0.00 0.00 66.02 65.06 3i2b s SER 23 CO -0.07 -0.02 0.85 -1.38 0.98 0.00 0.00 173.24 173.60 3i2b s HIS 24 N -2.22 -0.06 -0.03 5.02 -0.00 -0.17 -0.93 115.29 116.90 3i2b s HIS 24 Ca 0.32 -0.41 -0.01 0.00 -0.00 0.00 0.00 55.06 54.96 3i2b s HIS 24 Cb -0.07 0.72 0.03 0.00 -0.00 0.00 0.00 32.58 33.26 3i2b s HIS 24 CO 0.22 -1.16 0.07 0.50 -0.00 0.00 0.00 174.74 174.37 3i2b s ARG 25 N -3.08 0.02 -0.28 -0.38 3.52 -1.26 -1.15 118.95 116.34 3i2b s ARG 25 Ca 0.14 0.23 -0.20 0.00 -0.13 0.00 0.00 55.73 55.77 3i2b s ARG 25 Cb -0.04 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.15 3i2b s ARG 25 CO 0.07 -0.14 0.63 -0.51 -0.81 0.00 0.00 175.30 174.54 3i2b s LEU 26 N 0.95 4.10 -0.06 -0.88 1.43 -0.69 -4.60 118.68 118.92 3i2b s LEU 26 Ca -0.08 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 3i2b s LEU 26 Cb -0.11 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.37 3i2b s LEU 26 CO -0.03 -0.42 0.86 -0.72 0.23 0.00 0.00 176.35 176.26 3i2b s TYR 27 N 2.56 -0.44 -0.12 0.29 -0.85 -1.26 -4.08 117.35 113.45 3i2b s TYR 27 Ca 0.26 0.60 -0.05 0.00 -0.52 0.00 0.00 57.07 57.36 3i2b s TYR 27 Cb -0.15 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3i2b s TYR 27 CO 0.10 -0.51 0.06 0.45 -1.52 0.00 0.00 175.55 174.13 3i2b s SER 28 N -1.67 5.66 0.08 -0.18 0.15 -1.26 -4.68 113.70 111.80 3i2b s SER 28 Ca -0.02 0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.99 3i2b s SER 28 Cb -0.01 -1.77 0.60 0.00 -1.71 0.00 0.00 66.02 63.13 3i2b s SER 28 CO -0.01 0.34 1.42 0.29 1.20 0.00 0.00 173.24 176.48 3i2b n LYS 29 N 2.44 0.05 -0.90 5.44 5.02 -1.26 -2.95 118.16 126.01 3i2b n LYS 29 Ca -0.19 0.38 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 3i2b n LYS 29 Cb 0.54 -1.62 0.19 0.00 -0.02 0.00 0.00 35.03 34.11 3i2b n LYS 29 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3i2b n PHE 30 N -1.72 1.22 -4.05 2.13 3.72 -1.26 -4.97 117.46 112.54 3i2b n PHE 30 Ca 0.02 -1.70 -0.12 0.00 -0.05 0.00 0.00 57.45 55.60 3i2b n PHE 30 Cb 0.13 -0.51 -0.11 0.00 -0.94 0.00 0.00 39.48 38.05 3i2b n PHE 30 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i2b s LEU 31 N -3.30 2.27 1.06 4.37 1.43 -1.15 -5.13 118.68 118.23 3i2b s LEU 31 Ca 0.46 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3i2b s LEU 31 Cb 0.41 -0.09 0.23 0.00 0.03 0.00 0.00 46.19 46.76 3i2b s LEU 31 CO -0.01 -0.24 1.07 -0.94 0.23 0.00 0.00 176.35 176.46 3i2b s SER 32 N -1.63 1.97 0.12 2.29 1.04 -1.26 -4.73 113.70 111.50 3i2b s SER 32 Ca -0.10 1.34 -0.19 0.00 0.48 0.00 0.00 55.95 57.47 3i2b s SER 32 Cb -0.09 -2.05 -0.06 0.00 0.10 0.00 0.00 66.02 63.92 3i2b s SER 32 CO -0.00 -3.56 1.74 0.44 0.98 0.00 0.00 173.24 172.83 3i2b h ASP 33 N -2.19 0.29 -0.80 7.02 3.32 -1.98 -0.22 116.42 121.86 3i2b h ASP 33 Ca -0.57 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 56.48 3i2b h ASP 33 Cb 1.33 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 3i2b h ASP 33 CO 0.54 0.26 0.48 -0.08 -1.72 0.00 0.00 179.24 178.73 3i2b h GLU 34 N 0.29 0.86 -0.29 3.56 4.22 -1.98 0.13 114.58 121.35 3i2b h GLU 34 Ca 0.08 -0.05 -0.18 0.00 0.08 0.00 0.00 59.36 59.29 3i2b h GLU 34 Cb 0.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3i2b h GLU 34 CO -0.02 0.57 -0.54 0.93 -2.18 0.00 0.00 179.01 177.77 3i2b h GLU 35 N 0.88 0.88 -0.63 1.92 5.08 -1.81 0.95 114.58 121.85 3i2b h GLU 35 Ca 0.35 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3i2b h GLU 35 Cb 0.17 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3i2b h GLU 35 CO -0.17 1.19 0.18 -0.91 -1.00 0.00 0.00 179.01 178.29 3i2b h ASN 36 N 0.67 0.90 -0.19 1.42 2.35 -0.56 -2.45 115.58 117.72 3i2b h ASN 36 Ca 0.02 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 3i2b h ASN 36 Cb 1.15 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.28 3i2b h ASN 36 CO 0.12 0.86 -0.37 0.25 -1.65 0.00 0.00 177.43 176.64 3i2b h LEU 37 N 0.93 0.66 -0.59 1.61 5.85 -0.44 -1.80 115.31 121.53 3i2b h LEU 37 Ca 0.20 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3i2b h LEU 37 Cb 0.30 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3i2b h LEU 37 CO -0.00 1.08 0.34 0.50 -0.34 0.00 0.00 178.44 180.02 3i2b h LYS 38 N 0.26 0.82 0.21 1.25 3.64 -0.74 -0.21 116.57 121.80 3i2b h LYS 38 Ca 0.01 -0.08 -0.30 0.00 -1.27 0.00 0.00 60.65 59.00 3i2b h LYS 38 Cb 0.97 -0.17 0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3i2b h LYS 38 CO 0.08 0.60 -1.31 1.25 -2.27 0.00 0.00 179.45 177.81 3i2b h LEU 39 N 0.80 0.79 -0.13 5.20 5.85 -1.45 -3.37 115.31 123.00 3i2b h LEU 39 Ca 0.21 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.03 3i2b h LEU 39 Cb 0.01 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3i2b h LEU 39 CO -0.04 1.63 -0.87 0.49 -0.34 0.00 0.00 178.44 179.31 3i2b n PHE 40 N -3.82 0.00 0.00 1.25 3.72 -0.68 -5.05 117.46 112.88 3i2b n PHE 40 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3i2b n PHE 40 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 3i2b n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2b n GLY 41 N 1.45 2.90 0.28 1.37 0.00 -0.09 -1.85 105.19 109.26 3i2b n GLY 41 Ca 0.04 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.22 3i2b n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i2b h LYS 42 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.74 116.57 119.05 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i2b h LYS 42 CO 0.00 0.06 0.00 0.00 -2.00 0.00 0.00 179.45 177.51 3i2b n ASN 44 N -2.25 1.44 -4.67 0.00 2.85 0.25 -1.70 115.26 111.18 3i2b n ASN 44 Ca 0.01 -1.53 -0.60 0.00 -0.11 0.00 0.00 54.58 52.35 3i2b n ASN 44 Cb 0.16 -0.03 -0.08 0.00 1.24 0.00 0.00 39.78 41.07 3i2b n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3i2b n ASN 45 N 0.14 1.55 -0.28 1.20 5.15 -0.85 -4.80 115.26 117.37 3i2b n ASN 45 Ca 0.18 1.13 0.06 0.00 -0.60 0.00 0.00 54.58 55.35 3i2b n ASN 45 Cb 0.33 -1.04 0.28 0.00 -0.53 0.00 0.00 39.78 38.83 3i2b n ASN 45 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i2b h PRO 46 N 5.47 0.89 -0.27 1.20 0.11 -1.93 0.30 132.00 137.77 3i2b h PRO 46 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i2b h PRO 46 Cb 1.35 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i2b h PRO 46 CO 0.89 0.59 0.00 0.09 -0.21 0.00 0.00 178.00 179.36 3i2b n ASN 47 N -4.51 1.76 0.00 -2.05 3.02 -1.26 -5.03 115.26 107.19 3i2b n ASN 47 Ca 0.14 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 3i2b n ASN 47 Cb 0.26 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3i2b n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2b n GLY 48 N 1.08 -0.15 0.69 7.41 0.00 0.09 -5.03 105.19 109.29 3i2b n GLY 48 Ca 0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 3i2b n GLY 48 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i2b n HIS 49 N -0.30 -0.78 -3.95 1.61 1.44 -0.30 -4.87 115.22 108.08 3i2b n HIS 49 Ca 0.00 -0.45 -0.09 0.00 -2.01 0.00 0.00 57.72 55.17 3i2b n HIS 49 Cb 0.00 0.13 -0.03 0.00 0.12 0.00 0.00 29.99 30.20 3i2b n HIS 49 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3i2b s GLY 50 N -1.43 0.43 0.00 -1.39 0.00 -1.26 -1.00 107.32 102.67 3i2b s GLY 50 Ca 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.91 3i2b s GLY 50 CO 0.04 -0.47 0.19 0.30 0.00 0.00 0.00 173.10 173.15 3i2b s HIS 51 N -3.70 -0.01 -0.85 1.90 3.76 -0.14 -5.00 115.29 111.24 3i2b s HIS 51 Ca 0.19 -0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.84 3i2b s HIS 51 Cb -0.03 -0.01 0.09 0.00 1.11 0.00 0.00 32.58 33.75 3i2b s HIS 51 CO 0.10 -0.33 1.14 -0.80 -0.85 0.00 0.00 174.74 174.00 3i2b s ASN 52 N -1.44 6.44 0.37 1.40 0.01 -1.26 -2.09 114.94 118.36 3i2b s ASN 52 Ca -0.14 -1.54 -0.27 0.00 -0.71 0.00 0.00 52.86 50.21 3i2b s ASN 52 Cb -0.06 -2.44 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 3i2b s ASN 52 CO 0.02 -1.30 1.19 -0.31 -1.51 0.00 0.00 177.10 175.19 3i2b s TYR 53 N 3.66 3.14 -0.07 2.20 1.51 0.13 -4.76 117.35 123.17 3i2b s TYR 53 Ca 0.32 1.55 0.02 0.00 -1.01 0.00 0.00 57.07 57.95 3i2b s TYR 53 Cb -0.08 -3.44 -0.03 0.00 -0.11 0.00 0.00 41.96 38.31 3i2b s TYR 53 CO -0.02 -1.32 -0.12 0.15 -1.11 0.00 0.00 175.55 173.12 3i2b s LYS 54 N -2.06 2.73 -0.07 -0.62 1.02 -0.62 -1.12 119.74 119.01 3i2b s LYS 54 Ca 0.53 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.90 3i2b s LYS 54 Cb -0.33 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3i2b s LYS 54 CO 0.42 0.56 -0.17 0.08 -0.92 0.00 0.00 175.35 175.32 3i2b s VAL 55 N -0.55 1.46 -0.22 3.17 1.01 0.51 -0.42 120.40 125.37 3i2b s VAL 55 Ca 0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3i2b s VAL 55 Cb -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3i2b s VAL 55 CO 0.02 0.43 -0.07 -0.69 0.00 0.00 0.00 175.10 174.78 3i2b s VAL 56 N 0.41 3.06 -0.22 2.92 1.01 0.17 -0.94 120.40 126.81 3i2b s VAL 56 Ca -0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3i2b s VAL 56 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3i2b s VAL 56 CO 0.05 0.42 0.03 -0.69 0.00 0.00 0.00 175.10 174.90 3i2b s VAL 57 N 1.42 4.10 -0.17 2.92 1.01 -0.45 -0.70 120.40 128.53 3i2b s VAL 57 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3i2b s VAL 57 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3i2b s VAL 57 CO -0.05 0.39 -0.08 -0.89 0.00 0.00 0.00 175.10 174.47 3i2b s THR 58 N 1.25 3.35 0.34 3.92 2.01 0.23 -1.44 115.64 125.29 3i2b s THR 58 Ca 0.04 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.59 3i2b s THR 58 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3i2b s THR 58 CO 0.02 0.48 0.18 0.68 -0.69 0.00 0.00 174.62 175.29 3i2b s VAL 59 N 0.79 3.21 0.07 3.82 -7.23 0.16 -0.72 120.40 120.50 3i2b s VAL 59 Ca -0.03 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 3i2b s VAL 59 Cb -0.15 -3.04 -0.00 0.00 0.56 0.00 0.00 36.38 33.75 3i2b s VAL 59 CO 0.01 -0.19 0.17 -1.38 -0.31 0.00 0.00 175.10 173.41 3i2b s HIS 60 N -2.38 0.16 -4.36 2.82 -3.43 -0.11 -1.24 115.29 106.75 3i2b s HIS 60 Ca 0.38 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 54.11 3i2b s HIS 60 Cb -0.04 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 3i2b s HIS 60 CO 0.24 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 172.89 3i2b n GLY 61 N 0.19 -1.34 3.74 -1.38 0.00 -0.91 -4.59 105.19 100.89 3i2b n GLY 61 Ca -0.16 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3i2b n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i2b s GLU 62 N -1.74 4.60 -0.22 1.61 2.12 -1.26 -1.35 118.70 122.46 3i2b s GLU 62 Ca 0.00 1.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.79 3i2b s GLU 62 Cb 0.00 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3i2b s GLU 62 CO 0.00 0.11 1.61 0.42 -0.54 0.00 0.00 175.26 176.86 3i2b s ILE 63 N -0.49 3.70 -0.12 -3.70 1.01 0.62 -4.29 121.20 117.92 3i2b s ILE 63 Ca 0.48 0.79 -0.32 0.00 0.00 0.00 0.00 60.65 61.60 3i2b s ILE 63 Cb -0.30 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 3i2b s ILE 63 CO 0.37 -0.29 2.04 -0.67 0.00 0.00 0.00 174.94 176.39 3i2b n ASP 64 N 8.40 3.44 0.18 3.58 -0.08 -0.66 -4.60 116.55 126.80 3i2b n ASP 64 Ca 0.19 0.68 0.15 0.00 -1.51 0.00 0.00 54.79 54.29 3i2b n ASP 64 Cb 0.45 -1.45 0.74 0.00 2.34 0.00 0.00 41.12 43.20 3i2b n ASP 64 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i2b h PRO 65 N 11.55 0.00 0.20 -0.67 0.11 -1.91 0.19 132.00 141.46 3i2b h PRO 65 Ca -0.44 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.32 3i2b h PRO 65 Cb 1.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.39 3i2b h PRO 65 CO 0.96 0.00 -1.68 0.00 -0.21 0.00 0.00 178.00 177.06 3i2b h ALA 66 N 1.86 0.09 0.00 -0.75 0.00 -1.97 -3.40 119.26 115.08 3i2b h ALA 66 Ca 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3i2b h ALA 66 Cb 0.42 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i2b h ALA 66 CO -0.00 0.94 -0.87 0.25 0.00 0.00 0.00 179.25 179.58 3i2b n THR 67 N -3.64 0.00 -1.02 0.00 -2.24 -1.15 -5.00 114.28 101.23 3i2b n THR 67 Ca -0.23 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.33 3i2b n THR 67 Cb 1.07 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3i2b n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2b n GLY 68 N 1.41 0.47 3.26 3.38 0.00 0.04 -5.01 105.19 108.75 3i2b n GLY 68 Ca 0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3i2b n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i2b s MET 69 N -0.74 2.03 0.14 1.61 -1.94 -1.25 -4.75 119.30 114.40 3i2b s MET 69 Ca 0.00 -0.85 -0.11 0.00 -1.71 0.00 0.00 55.69 53.03 3i2b s MET 69 Cb 0.00 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.90 3i2b s MET 69 CO 0.00 0.47 1.47 0.28 -0.01 0.00 0.00 175.02 177.23 3i2b h VAL 70 N 4.68 1.27 -2.43 -6.03 2.07 -1.91 -1.76 116.25 112.14 3i2b h VAL 70 Ca -0.39 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 65.47 3i2b h VAL 70 Cb 1.14 1.40 -0.22 0.00 -1.52 0.00 0.00 31.29 32.08 3i2b h VAL 70 CO 0.47 0.53 -0.07 -0.32 0.02 0.00 0.00 177.57 178.20 3i2b s MET 71 N -4.38 0.67 0.04 1.57 1.75 -1.26 -4.83 119.30 112.86 3i2b s MET 71 Ca -0.11 0.67 -0.31 0.00 -1.25 0.00 0.00 55.69 54.70 3i2b s MET 71 Cb 0.11 0.32 -0.07 0.00 2.84 0.00 0.00 34.83 38.04 3i2b s MET 71 CO 0.88 -0.10 1.48 1.21 -0.65 0.00 0.00 175.02 177.85 3i2b s ASN 72 N 0.10 6.76 0.55 1.11 3.84 -1.26 -4.89 114.94 121.15 3i2b s ASN 72 Ca -0.02 2.27 0.33 0.00 0.21 0.00 0.00 52.86 55.65 3i2b s ASN 72 Cb -0.04 -2.57 1.45 0.00 -0.55 0.00 0.00 41.25 39.55 3i2b s ASN 72 CO 0.02 -0.76 2.02 -0.07 -2.79 0.00 0.00 177.10 175.52 3i2b h LEU 73 N 8.15 0.00 -0.66 3.21 3.38 -2.00 0.42 115.31 127.82 3i2b h LEU 73 Ca -0.40 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 3i2b h LEU 73 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3i2b h LEU 73 CO 0.91 0.05 -0.58 0.00 0.09 0.00 0.00 178.44 178.91 3i2b h ALA 74 N 1.95 0.88 -0.02 1.53 0.00 -1.99 -1.50 119.26 120.11 3i2b h ALA 74 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3i2b h ALA 74 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i2b h ALA 74 CO 0.01 0.73 -0.06 -0.44 0.00 0.00 0.00 179.25 179.48 3i2b h ASP 75 N 0.00 0.09 -0.77 0.00 3.32 -1.32 -2.80 116.42 114.93 3i2b h ASP 75 Ca -0.01 -0.63 0.03 0.00 0.02 0.00 0.00 57.03 56.45 3i2b h ASP 75 Cb 1.14 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3i2b h ASP 75 CO 0.08 0.70 0.51 0.25 -1.72 0.00 0.00 179.24 179.05 3i2b h LEU 76 N -0.52 0.83 -0.49 1.55 5.85 -1.42 -0.57 115.31 120.54 3i2b h LEU 76 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3i2b h LEU 76 Cb 0.69 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3i2b h LEU 76 CO 0.01 0.58 0.18 0.50 -0.34 0.00 0.00 178.44 179.38 3i2b h LYS 77 N 0.97 0.75 -0.70 1.25 3.64 -1.36 -1.48 116.57 119.64 3i2b h LYS 77 Ca 0.30 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3i2b h LYS 77 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3i2b h LYS 77 CO -0.08 0.68 0.17 0.87 -2.27 0.00 0.00 179.45 178.82 3i2b h LYS 78 N 0.66 1.11 -0.70 1.90 6.56 -1.02 0.09 116.57 125.18 3i2b h LYS 78 Ca 0.16 -0.26 -0.07 0.00 -1.06 0.00 0.00 60.65 59.42 3i2b h LYS 78 Cb 0.22 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.71 3i2b h LYS 78 CO -0.01 0.98 0.16 1.88 -2.06 0.00 0.00 179.45 180.40 3i2b h TYR 79 N 1.06 1.19 -0.10 -1.35 0.05 -1.06 -1.90 116.97 114.85 3i2b h TYR 79 Ca 0.22 -0.15 -0.18 0.00 0.05 0.00 0.00 58.73 58.67 3i2b h TYR 79 Cb 0.37 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 3i2b h TYR 79 CO 0.03 0.97 -0.70 0.52 -1.05 0.00 0.00 178.16 177.93 3i2b h MET 80 N 1.06 0.47 -0.64 4.88 2.86 -1.02 0.45 114.93 122.98 3i2b h MET 80 Ca 0.22 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3i2b h MET 80 Cb 0.39 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3i2b h MET 80 CO 0.00 0.99 0.42 1.49 1.06 0.00 0.00 176.91 180.87 3i2b h GLU 81 N 0.33 0.81 0.02 1.72 4.57 -0.79 -0.79 114.58 120.44 3i2b h GLU 81 Ca -0.03 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 57.87 3i2b h GLU 81 Cb 1.27 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3i2b h GLU 81 CO 0.12 0.54 -0.99 1.49 -1.18 0.00 0.00 179.01 178.99 3i2b h GLU 82 N 0.84 0.40 0.00 1.92 4.57 -1.13 -1.09 114.58 120.09 3i2b h GLU 82 Ca 0.24 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3i2b h GLU 82 Cb -0.07 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3i2b h GLU 82 CO -0.07 1.13 -0.75 0.00 -1.18 0.00 0.00 179.01 178.14 3i2b h ALA 83 N 0.70 0.58 0.00 2.92 0.00 -0.80 -3.41 119.26 119.26 3i2b h ALA 83 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i2b h ALA 83 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3i2b h ALA 83 CO 0.17 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.53 3i2b n ILE 84 N -2.50 0.60 0.19 0.00 5.41 -0.32 -4.78 119.36 117.96 3i2b n ILE 84 Ca 0.02 0.20 -0.15 0.00 1.00 0.00 0.00 62.75 63.82 3i2b n ILE 84 Cb 0.50 -1.03 -0.08 0.00 -0.71 0.00 0.00 39.64 38.32 3i2b n ILE 84 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3i2b h MET 85 N 0.00 -0.44 0.04 0.38 2.86 -1.32 -1.18 114.93 115.28 3i2b h MET 85 Ca 0.00 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3i2b h MET 85 Cb 0.00 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3i2b h MET 85 CO 0.00 -0.20 -0.17 1.96 1.06 0.00 0.00 176.91 179.56 3i2b h GLN 86 N -0.60 -0.29 0.00 1.72 4.20 -1.44 -0.69 115.11 118.02 3i2b h GLN 86 Ca -0.05 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3i2b h GLN 86 Cb 0.43 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3i2b h GLN 86 CO 0.08 -0.19 -0.27 -1.00 -0.67 0.00 0.00 178.83 176.77 3i2b h PRO 87 N -0.30 0.00 0.00 1.46 0.13 -1.78 -3.39 132.00 128.12 3i2b h PRO 87 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 3i2b h PRO 87 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3i2b h PRO 87 CO -0.13 0.27 -1.34 1.28 -0.23 0.00 0.00 178.00 177.85 3i2b n LEU 88 N -3.27 0.00 -4.72 1.56 4.77 -0.45 -4.85 117.00 110.05 3i2b n LEU 88 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3i2b n LEU 88 Cb 0.55 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 3i2b n LEU 88 CO 0.36 0.07 0.82 -0.62 -1.33 0.00 0.00 177.39 176.69 3i2b s ASP 89 N -3.19 7.18 -1.34 -1.43 2.15 -0.28 -3.07 116.67 116.69 3i2b s ASP 89 Ca -0.03 1.99 -0.06 0.00 0.43 0.00 0.00 52.55 54.89 3i2b s ASP 89 Cb 0.03 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3i2b s ASP 89 CO 0.25 -0.36 1.00 1.41 -0.17 0.00 0.00 175.17 177.30 3i2b n HIS 90 N 3.41 -2.38 -4.33 -5.34 8.25 0.32 -4.94 115.22 110.20 3i2b n HIS 90 Ca 0.06 0.94 -0.18 0.00 -0.26 0.00 0.00 57.72 58.28 3i2b n HIS 90 Cb 0.47 -4.71 -0.10 0.00 1.12 0.00 0.00 29.99 26.77 3i2b n HIS 90 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i2b s LYS 91 N -6.05 1.29 -0.38 -0.41 -0.14 -1.17 -5.02 119.74 107.87 3i2b s LYS 91 Ca 0.32 -1.55 -0.18 0.00 -1.36 0.00 0.00 55.97 53.20 3i2b s LYS 91 Cb -0.15 -1.10 0.00 0.00 -1.68 0.00 0.00 37.83 34.90 3i2b s LYS 91 CO 0.77 0.19 0.52 1.21 -0.76 0.00 0.00 175.35 177.27 3i2b s ASN 92 N -3.21 6.29 0.16 2.83 3.84 -1.26 -1.29 114.94 122.31 3i2b s ASN 92 Ca 0.21 -0.19 -0.15 0.00 0.21 0.00 0.00 52.86 52.93 3i2b s ASN 92 Cb -0.01 -2.27 0.05 0.00 -0.55 0.00 0.00 41.25 38.48 3i2b s ASN 92 CO 0.06 -0.54 1.80 -0.07 -2.79 0.00 0.00 177.10 175.56 3i2b h LEU 93 N 9.18 0.41 -0.53 3.21 3.38 -1.41 0.27 115.31 129.82 3i2b h LEU 93 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3i2b h LEU 93 Cb 1.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3i2b h LEU 93 CO 0.79 0.29 -0.05 0.44 0.09 0.00 0.00 178.44 180.01 3i2b h ASP 94 N 0.51 0.00 0.00 -0.43 3.32 -1.85 -2.80 116.42 115.17 3i2b h ASP 94 Ca 0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 3i2b h ASP 94 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3i2b h ASP 94 CO -0.08 0.05 -1.82 0.23 -1.72 0.00 0.00 179.24 175.90 3i2b n MET 95 N -3.12 1.15 -0.00 3.56 2.81 -1.07 -4.39 117.12 116.04 3i2b n MET 95 Ca 0.03 -0.07 0.07 0.00 -1.81 0.00 0.00 57.70 55.92 3i2b n MET 95 Cb 0.47 -1.35 -0.11 0.00 -0.71 0.00 0.00 33.22 31.52 3i2b n MET 95 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i2b n ASP 96 N -2.28 1.34 -4.28 7.83 8.00 0.93 -4.88 116.55 123.22 3i2b n ASP 96 Ca -0.13 -0.24 -0.37 0.00 0.71 0.00 0.00 54.79 54.76 3i2b n ASP 96 Cb 0.68 1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 43.15 3i2b n ASP 96 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2b s VAL 97 N -2.84 3.73 0.40 2.53 1.01 -1.06 -4.99 120.40 119.18 3i2b s VAL 97 Ca -0.02 -1.05 0.11 0.00 0.00 0.00 0.00 61.98 61.01 3i2b s VAL 97 Cb 0.10 -3.07 0.32 0.00 0.00 0.00 0.00 36.38 33.73 3i2b s VAL 97 CO 0.61 -0.11 1.94 -0.65 0.00 0.00 0.00 175.10 176.90 3i2b h PRO 98 N 8.20 0.55 -0.96 2.72 0.11 -1.89 -1.49 132.00 139.24 3i2b h PRO 98 Ca -0.25 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.95 3i2b h PRO 98 Cb 1.09 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 3i2b h PRO 98 CO 0.60 0.37 0.61 -0.92 -0.21 0.00 0.00 178.00 178.44 3i2b h TYR 99 N 0.57 1.04 -0.27 0.65 5.03 -1.94 -0.58 116.97 121.47 3i2b h TYR 99 Ca 0.33 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.67 3i2b h TYR 99 Cb 0.54 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.49 3i2b h TYR 99 CO -0.00 0.41 0.00 1.19 -1.32 0.00 0.00 178.16 178.44 3i2b n PHE 100 N -4.59 0.41 -0.34 -3.82 3.72 -0.56 -3.70 117.46 108.57 3i2b n PHE 100 Ca 0.18 -0.19 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 3i2b n PHE 100 Cb 0.38 -0.03 0.15 0.00 -0.94 0.00 0.00 39.48 39.05 3i2b n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2b h ALA 101 N 3.42 1.34 -0.15 4.37 0.00 -1.16 -3.28 119.26 123.81 3i2b h ALA 101 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3i2b h ALA 101 Cb 0.44 -0.37 -0.33 0.00 0.00 0.00 0.00 17.79 17.53 3i2b h ALA 101 CO 0.02 0.59 -0.95 -0.40 0.00 0.00 0.00 179.25 178.51 3i2b n ASP 102 N -4.41 1.53 -4.02 0.00 5.68 -1.25 -4.99 116.55 109.09 3i2b n ASP 102 Ca 0.12 -2.46 -0.23 0.00 -0.50 0.00 0.00 54.79 51.72 3i2b n ASP 102 Cb 0.04 -0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 39.48 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3i2b s VAL 103 N -1.73 1.01 0.16 2.12 1.01 -1.24 -5.09 120.40 116.65 3i2b s VAL 103 Ca 0.34 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 3i2b s VAL 103 Cb 0.37 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 3i2b s VAL 103 CO -0.11 0.32 1.55 -0.69 0.00 0.00 0.00 175.10 176.17 3i2b s VAL 104 N 0.41 2.67 -0.09 2.92 1.01 -1.26 -4.61 120.40 121.46 3i2b s VAL 104 Ca -0.08 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 3i2b s VAL 104 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3i2b s VAL 104 CO 0.02 0.04 2.59 -1.54 0.00 0.00 0.00 175.10 176.21 3i2b n SER 105 N 3.92 5.59 -4.70 3.32 3.41 -1.26 -4.67 113.62 119.23 3i2b n SER 105 Ca 0.13 -2.60 -0.31 0.00 -0.26 0.00 0.00 58.87 55.83 3i2b n SER 105 Cb 0.39 -1.22 0.15 0.00 -0.26 0.00 0.00 64.21 63.26 3i2b n SER 105 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i2b s THR 106 N -0.23 2.47 0.28 6.66 -4.23 -1.26 -4.79 115.64 114.53 3i2b s THR 106 Ca 0.31 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3i2b s THR 106 Cb 0.17 -2.34 0.27 0.00 1.34 0.00 0.00 72.50 71.95 3i2b s THR 106 CO -0.02 -0.20 1.92 0.74 -0.54 0.00 0.00 174.62 176.52 3i2b h THR 107 N -1.67 1.16 -0.49 3.99 2.02 -1.99 -0.84 112.91 115.09 3i2b h THR 107 Ca -0.44 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 66.43 3i2b h THR 107 Cb 1.26 -0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 3i2b h THR 107 CO 0.45 0.21 0.06 -0.33 0.37 0.00 0.00 175.52 176.29 3i2b h GLU 108 N 1.17 0.18 0.00 6.66 3.07 -1.95 -0.23 114.58 123.48 3i2b h GLU 108 Ca 0.37 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.12 3i2b h GLU 108 Cb 0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3i2b h GLU 108 CO -0.12 0.12 -0.47 -0.91 -1.40 0.00 0.00 179.01 176.23 3i2b h ASN 109 N 0.19 0.00 -0.44 1.42 2.35 -1.67 -2.06 115.58 115.37 3i2b h ASN 109 Ca 0.25 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3i2b h ASN 109 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3i2b h ASN 109 CO -0.36 0.47 -0.13 0.58 -1.65 0.00 0.00 177.43 176.34 3i2b h VAL 110 N 0.00 1.27 -0.77 2.81 2.07 -0.55 -1.27 116.25 119.81 3i2b h VAL 110 Ca -0.00 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 3i2b h VAL 110 Cb 1.01 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3i2b h VAL 110 CO 0.06 0.43 0.30 0.00 0.02 0.00 0.00 177.57 178.38 3i2b h ALA 111 N 0.86 1.00 -0.51 1.67 0.00 -0.78 -1.33 119.26 120.16 3i2b h ALA 111 Ca 0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3i2b h ALA 111 Cb 0.68 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i2b h ALA 111 CO 0.05 0.63 -0.16 0.28 0.00 0.00 0.00 179.25 180.04 3i2b h VAL 112 N 1.11 1.27 -0.39 0.00 2.07 -1.33 -1.33 116.25 117.65 3i2b h VAL 112 Ca 0.26 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3i2b h VAL 112 Cb 0.22 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3i2b h VAL 112 CO -0.02 0.46 0.24 0.22 0.02 0.00 0.00 177.57 178.50 3i2b h TYR 113 N 0.88 0.51 -0.55 1.57 3.20 -0.92 -0.62 116.97 121.04 3i2b h TYR 113 Ca 0.12 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3i2b h TYR 113 Cb 0.74 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3i2b h TYR 113 CO 0.05 0.35 0.19 0.82 -1.64 0.00 0.00 178.16 177.93 3i2b h ILE 114 N 0.52 1.23 -0.23 1.81 2.04 -1.11 -0.79 117.51 120.98 3i2b h ILE 114 Ca 0.14 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3i2b h ILE 114 Cb -0.02 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3i2b h ILE 114 CO -0.03 0.29 0.06 -0.25 0.00 0.00 0.00 178.15 178.22 3i2b h TRP 115 N 0.77 0.10 -0.42 1.37 2.91 -0.98 0.44 115.95 120.14 3i2b h TRP 115 Ca 0.18 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.10 3i2b h TRP 115 Cb 0.26 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 3i2b h TRP 115 CO 0.01 0.04 -0.18 -0.44 -1.03 0.00 0.00 178.44 176.84 3i2b h ASP 116 N 0.16 0.82 -0.53 2.65 3.32 -0.75 -0.87 116.42 121.22 3i2b h ASP 116 Ca 0.10 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 3i2b h ASP 116 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3i2b h ASP 116 CO -0.12 0.99 0.03 0.78 -1.72 0.00 0.00 179.24 179.20 3i2b h ASN 117 N 0.72 0.89 -0.84 6.45 4.21 -0.82 -2.88 115.58 123.32 3i2b h ASN 117 Ca 0.11 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.31 3i2b h ASN 117 Cb 0.69 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.62 3i2b h ASN 117 CO 0.05 0.96 0.48 -0.07 -1.29 0.00 0.00 177.43 177.56 3i2b h LEU 118 N 0.79 1.03 -1.86 1.61 3.38 -0.53 -2.72 115.31 117.01 3i2b h LEU 118 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i2b h LEU 118 Cb 0.49 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i2b h LEU 118 CO 0.02 0.82 0.00 1.56 0.09 0.00 0.00 178.44 180.93 3i2b h GLN 119 N 1.16 0.00 0.00 1.13 1.08 -1.00 -0.91 115.11 116.57 3i2b h GLN 119 Ca 0.30 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.46 3i2b h GLN 119 Cb -0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3i2b h GLN 119 CO -0.05 0.00 -0.17 0.87 -0.95 0.00 0.00 178.83 178.53 3i2b h LYS 120 N 0.00 0.00 0.00 1.46 1.57 -1.27 -3.36 116.57 114.97 3i2b h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i2b h LYS 120 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3i2b h LYS 120 CO 0.00 0.17 -1.13 1.33 -0.57 0.00 0.00 179.45 179.24 3i2b n VAL 121 N -3.27 0.00 -2.96 0.50 0.24 -0.97 -5.04 118.33 106.83 3i2b n VAL 121 Ca 0.01 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.34 61.84 3i2b n VAL 121 Cb 0.44 0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 33.18 3i2b n VAL 121 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i2b s LEU 122 N -3.24 4.02 0.50 1.34 1.43 -0.38 -5.03 118.68 117.32 3i2b s LEU 122 Ca -0.01 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 3i2b s LEU 122 Cb 0.03 -4.30 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 3i2b s LEU 122 CO 0.20 -0.27 0.98 -2.65 0.23 0.00 0.00 176.35 174.84 3i2b n PRO 123 N -0.43 1.17 -1.95 1.29 -0.02 -1.26 -4.91 135.00 128.89 3i2b n PRO 123 Ca 0.05 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3i2b n PRO 123 Cb 0.53 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3i2b n PRO 123 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i2b s VAL 124 N -1.39 2.49 0.00 -1.45 1.01 -1.26 -3.73 120.40 116.07 3i2b s VAL 124 Ca 0.68 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3i2b s VAL 124 Cb -0.49 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3i2b s VAL 124 CO 0.53 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3i2b n GLY 125 N 1.98 0.73 0.07 4.51 0.00 -1.26 -4.95 105.19 106.27 3i2b n GLY 125 Ca 0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3i2b n GLY 125 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i2b n VAL 126 N -2.50 0.83 -2.29 1.61 0.31 -1.24 -4.88 118.33 110.17 3i2b n VAL 126 Ca 0.00 -0.41 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 3i2b n VAL 126 Cb 0.00 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.03 3i2b n VAL 126 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3i2b s LEU 127 N -5.39 4.36 -0.12 7.52 2.96 -1.26 -0.93 118.68 125.81 3i2b s LEU 127 Ca -0.13 2.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.93 3i2b s LEU 127 Cb 0.04 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 3i2b s LEU 127 CO 0.41 -0.58 -0.12 0.00 -1.32 0.00 0.00 176.35 174.74 3i2b n TYR 128 N 4.13 0.00 -3.64 5.38 9.36 0.10 -4.86 117.16 127.63 3i2b n TYR 128 Ca 0.11 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.19 3i2b n TYR 128 Cb 0.44 -0.46 -0.07 0.00 -0.63 0.00 0.00 39.34 38.62 3i2b n TYR 128 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3i2b s LYS 129 N -2.24 0.78 -0.13 2.98 2.20 -0.77 -4.64 119.74 117.92 3i2b s LYS 129 Ca -0.16 0.95 0.02 0.00 -0.36 0.00 0.00 55.97 56.42 3i2b s LYS 129 Cb 0.05 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.75 3i2b s LYS 129 CO 0.26 -0.10 -0.20 0.08 -0.36 0.00 0.00 175.35 175.04 3i2b s VAL 130 N 0.43 1.87 -0.12 4.02 1.01 -0.56 -0.60 120.40 126.45 3i2b s VAL 130 Ca -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3i2b s VAL 130 Cb -0.05 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3i2b s VAL 130 CO -0.00 0.51 -0.23 -0.75 0.00 0.00 0.00 175.10 174.63 3i2b s LYS 131 N 0.89 3.03 -0.15 2.72 2.20 0.12 -1.12 119.74 127.42 3i2b s LYS 131 Ca -0.06 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 3i2b s LYS 131 Cb -0.15 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.81 3i2b s LYS 131 CO -0.02 0.06 -0.18 0.08 -0.36 0.00 0.00 175.35 174.93 3i2b s VAL 132 N 0.62 1.85 -0.40 4.02 1.01 0.38 -0.65 120.40 127.23 3i2b s VAL 132 Ca -0.12 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 3i2b s VAL 132 Cb -0.17 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3i2b s VAL 132 CO 0.03 0.51 0.45 -0.31 0.00 0.00 0.00 175.10 175.77 3i2b s TYR 133 N 1.20 3.17 0.20 5.22 1.51 0.44 -0.89 117.35 128.20 3i2b s TYR 133 Ca 0.01 -0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3i2b s TYR 133 Cb -0.14 -2.89 0.15 0.00 -0.11 0.00 0.00 41.96 38.97 3i2b s TYR 133 CO -0.08 -0.64 1.52 1.49 -1.11 0.00 0.00 175.55 176.73 3i2b h GLU 134 N 8.66 0.51 -4.36 -0.62 4.81 -1.53 -1.66 114.58 120.39 3i2b h GLU 134 Ca -0.27 -0.32 -0.30 0.00 -0.13 0.00 0.00 59.36 58.34 3i2b h GLU 134 Cb 1.12 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.43 3i2b h GLU 134 CO 0.78 0.92 -0.33 0.95 -0.73 0.00 0.00 179.01 180.60 3i2b s THR 135 N -3.99 0.00 0.55 0.32 -4.23 -1.22 -4.60 115.64 102.46 3i2b s THR 135 Ca -0.07 -1.75 0.28 0.00 -1.18 0.00 0.00 61.69 58.97 3i2b s THR 135 Cb 0.11 -2.54 0.42 0.00 1.34 0.00 0.00 72.50 71.83 3i2b s THR 135 CO 0.83 0.00 1.95 0.44 -0.54 0.00 0.00 174.62 177.30 3i2b h ASP 136 N 2.20 0.00 -0.01 3.99 3.32 -1.93 -3.11 116.42 120.88 3i2b h ASP 136 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3i2b h ASP 136 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3i2b h ASP 136 CO 0.40 0.00 -0.08 0.59 -1.72 0.00 0.00 179.24 178.42 3i2b n ASN 137 N -4.17 1.61 -3.88 6.45 3.02 -1.26 -4.90 115.26 112.13 3i2b n ASN 137 Ca 0.11 -1.31 -0.29 0.00 -0.03 0.00 0.00 54.58 53.07 3i2b n ASN 137 Cb 0.70 0.19 -0.16 0.00 -0.61 0.00 0.00 39.78 39.90 3i2b n ASN 137 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i2b s ASN 138 N -1.08 3.15 0.01 6.41 0.01 -1.18 -5.10 114.94 117.17 3i2b s ASN 138 Ca 0.11 -0.84 0.04 0.00 -0.71 0.00 0.00 52.86 51.46 3i2b s ASN 138 Cb 0.09 -0.94 -0.02 0.00 0.41 0.00 0.00 41.25 40.79 3i2b s ASN 138 CO 0.18 -0.22 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.79 3i2b s ILE 139 N 1.60 1.05 -0.02 0.60 1.01 -1.26 -1.44 121.20 122.74 3i2b s ILE 139 Ca -0.02 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3i2b s ILE 139 Cb -0.17 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3i2b s ILE 139 CO -0.07 0.16 -0.22 -0.69 0.00 0.00 0.00 174.94 174.12 3i2b s VAL 140 N -0.55 1.73 -0.11 2.92 1.01 -0.07 -4.99 120.40 120.35 3i2b s VAL 140 Ca 0.03 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.12 3i2b s VAL 140 Cb -0.06 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3i2b s VAL 140 CO 0.00 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 3i2b s VAL 141 N -0.42 1.99 -0.06 2.92 1.01 -1.26 -0.47 120.40 124.10 3i2b s VAL 141 Ca 0.06 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3i2b s VAL 141 Cb -0.09 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3i2b s VAL 141 CO -0.00 0.54 -0.20 -0.47 0.00 0.00 0.00 175.10 174.97 3i2b s TYR 142 N 0.47 2.03 -0.12 5.22 5.04 -0.28 -5.01 117.35 124.71 3i2b s TYR 142 Ca -0.16 -0.67 0.14 0.00 -2.44 0.00 0.00 57.07 53.94 3i2b s TYR 142 Cb -0.17 -1.37 0.32 0.00 0.35 0.00 0.00 41.96 41.09 3i2b s TYR 142 CO 0.06 -0.25 1.16 1.63 -1.34 0.00 0.00 175.55 176.81 3i2b n LYS 143 N 3.27 1.05 -1.00 4.97 5.02 -1.26 -1.49 118.16 128.72 3i2b n LYS 143 Ca -0.19 -2.56 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 3i2b n LYS 143 Cb 0.53 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3i2b n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2b n GLY 144 N -0.86 0.55 0.90 0.72 0.00 -1.26 -4.92 105.19 100.31 3i2b n GLY 144 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50