#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 3.42 0.33 5.56 1.81 -1.26 -5.05 118.95 123.76 3i2b s ARG 9 Ca 0.00 0.26 -0.27 0.00 -1.72 0.00 0.00 55.73 54.00 3i2b s ARG 9 Cb 0.00 -2.30 -0.09 0.00 -0.45 0.00 0.00 34.95 32.11 3i2b s ARG 9 CO 0.00 -0.38 1.12 0.00 -0.68 0.00 0.00 175.30 175.36 3i2b s GLN 11 N -1.87 2.87 0.10 0.00 -1.52 -1.26 -0.77 119.66 117.20 3i2b s GLN 11 Ca 0.50 -0.58 -0.11 0.00 -1.95 0.00 0.00 55.36 53.22 3i2b s GLN 11 Cb -0.30 -2.73 0.01 0.00 -0.22 0.00 0.00 33.01 29.77 3i2b s GLN 11 CO 0.39 0.63 0.26 0.00 -0.25 0.00 0.00 175.29 176.31 3i2b s ALA 12 N -1.14 -0.46 -0.14 6.09 0.00 -0.23 -4.94 121.76 120.94 3i2b s ALA 12 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3i2b s ALA 12 Cb -0.12 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3i2b s ALA 12 CO 0.12 -0.55 -0.00 -0.65 0.00 0.00 0.00 175.76 174.68 3i2b s GLN 13 N -3.81 3.53 -0.04 0.00 -0.21 -1.26 -1.78 119.66 116.09 3i2b s GLN 13 Ca 0.04 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 55.02 3i2b s GLN 13 Cb 0.04 -2.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.10 3i2b s GLN 13 CO -0.11 0.39 -0.18 0.08 -2.12 0.00 0.00 175.29 173.35 3i2b s VAL 14 N -0.02 1.49 0.09 1.09 1.01 -0.10 -4.98 120.40 118.98 3i2b s VAL 14 Ca 0.03 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3i2b s VAL 14 Cb -0.13 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3i2b s VAL 14 CO 0.02 0.43 -0.18 -0.44 0.00 0.00 0.00 175.10 174.93 3i2b s SER 15 N -0.09 2.19 -0.03 3.32 0.01 -1.26 -0.77 113.70 117.06 3i2b s SER 15 Ca -0.01 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.59 3i2b s SER 15 Cb -0.11 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.03 3i2b s SER 15 CO 0.02 -0.01 -0.09 -0.60 0.41 0.00 0.00 173.24 172.97 3i2b s ARG 16 N -1.94 0.98 -0.15 12.44 3.52 -0.39 -4.98 118.95 128.43 3i2b s ARG 16 Ca 0.04 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.31 3i2b s ARG 16 Cb -0.09 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 32.36 3i2b s ARG 16 CO 0.04 0.09 -0.03 0.50 -0.81 0.00 0.00 175.30 175.08 3i2b s ARG 17 N 0.29 3.65 0.25 5.12 3.52 -1.26 -1.37 118.95 129.14 3i2b s ARG 17 Ca -0.05 -0.51 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 3i2b s ARG 17 Cb -0.09 -2.92 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 3i2b s ARG 17 CO 0.01 0.27 0.04 0.96 -0.81 0.00 0.00 175.30 175.76 3i2b s ILE 18 N 0.29 0.86 0.19 4.11 -4.36 -0.29 -4.99 121.20 117.01 3i2b s ILE 18 Ca -0.03 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.42 3i2b s ILE 18 Cb -0.14 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.05 3i2b s ILE 18 CO 0.03 -0.19 -0.14 -0.94 0.24 0.00 0.00 174.94 173.94 3i2b s SER 19 N -3.32 2.45 0.04 4.36 1.04 -1.26 -0.68 113.70 116.33 3i2b s SER 19 Ca 0.32 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.71 3i2b s SER 19 Cb 0.07 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3i2b s SER 19 CO 0.11 -0.17 0.09 0.72 0.98 0.00 0.00 173.24 174.97 3i2b s PHE 20 N -2.84 0.20 -0.17 5.02 -0.71 -0.08 -4.99 117.98 114.41 3i2b s PHE 20 Ca 0.20 -0.49 -0.06 0.00 -1.04 0.00 0.00 56.93 55.53 3i2b s PHE 20 Cb -0.01 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 3i2b s PHE 20 CO 0.06 -0.36 0.05 -1.12 -1.34 0.00 0.00 175.22 172.51 3i2b s SER 21 N -2.08 5.51 0.05 1.98 0.01 -1.26 0.36 113.70 118.27 3i2b s SER 21 Ca -0.06 0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.14 3i2b s SER 21 Cb -0.02 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 64.33 3i2b s SER 21 CO -0.04 0.20 0.31 0.00 0.41 0.00 0.00 173.24 174.12 3i2b s ALA 22 N 0.21 -0.70 0.22 1.44 0.00 -0.75 0.87 121.76 123.03 3i2b s ALA 22 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.07 3i2b s ALA 22 Cb -0.12 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3i2b s ALA 22 CO 0.01 -0.43 0.05 -1.54 0.00 0.00 0.00 175.76 173.85 3i2b s SER 23 N -2.13 4.94 0.27 0.00 1.04 -0.65 -1.22 113.70 115.95 3i2b s SER 23 Ca -0.04 -0.41 -0.21 0.00 0.48 0.00 0.00 55.95 55.77 3i2b s SER 23 Cb -0.00 -1.09 0.05 0.00 0.10 0.00 0.00 66.02 65.07 3i2b s SER 23 CO -0.04 0.04 0.84 -1.38 0.98 0.00 0.00 173.24 173.67 3i2b s HIS 24 N -1.98 -0.05 -0.02 5.02 -0.00 -0.33 -0.69 115.29 117.22 3i2b s HIS 24 Ca 0.30 -0.43 -0.01 0.00 -0.00 0.00 0.00 55.06 54.92 3i2b s HIS 24 Cb -0.08 0.73 0.02 0.00 -0.00 0.00 0.00 32.58 33.25 3i2b s HIS 24 CO 0.21 -1.20 0.05 0.50 -0.00 0.00 0.00 174.74 174.30 3i2b s ARG 25 N -3.09 0.02 -0.33 -0.38 3.52 -1.26 -1.44 118.95 115.99 3i2b s ARG 25 Ca 0.14 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.68 3i2b s ARG 25 Cb -0.04 -0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.24 3i2b s ARG 25 CO 0.07 -0.09 0.64 -0.51 -0.81 0.00 0.00 175.30 174.60 3i2b s LEU 26 N 0.57 4.19 -0.05 -0.88 1.43 -0.61 -4.58 118.68 118.74 3i2b s LEU 26 Ca -0.05 0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 3i2b s LEU 26 Cb -0.06 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.42 3i2b s LEU 26 CO -0.02 -0.54 0.71 -0.72 0.23 0.00 0.00 176.35 176.01 3i2b s TYR 27 N 2.68 -0.62 0.07 0.29 -0.85 -1.26 -4.16 117.35 113.50 3i2b s TYR 27 Ca 0.25 1.04 0.04 0.00 -0.52 0.00 0.00 57.07 57.89 3i2b s TYR 27 Cb -0.15 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3i2b s TYR 27 CO 0.13 -0.59 -0.01 0.45 -1.52 0.00 0.00 175.55 174.01 3i2b s SER 28 N -1.24 4.98 0.35 -0.18 0.15 -1.26 -4.65 113.70 111.84 3i2b s SER 28 Ca -0.09 -0.16 0.14 0.00 0.70 0.00 0.00 55.95 56.54 3i2b s SER 28 Cb -0.00 -1.19 0.65 0.00 -1.71 0.00 0.00 66.02 63.76 3i2b s SER 28 CO 0.08 0.20 1.76 0.07 1.20 0.00 0.00 173.24 176.55 3i2b h LYS 29 N 3.67 0.00 0.00 5.44 -0.00 -1.96 -3.29 116.57 120.44 3i2b h LYS 29 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.17 3i2b h LYS 29 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3i2b h LYS 29 CO 0.59 0.43 -0.12 0.27 -0.00 0.00 0.00 179.45 180.62 3i2b h PHE 30 N 0.00 0.00 -2.16 0.07 -0.00 -2.01 -3.46 116.94 109.38 3i2b h PHE 30 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.97 57.46 3i2b h PHE 30 Cb 0.82 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.73 3i2b h PHE 30 CO 0.00 0.01 -0.52 -0.51 -0.00 0.00 0.00 178.31 177.29 3i2b s LEU 31 N -6.12 3.80 0.76 2.10 1.02 -1.24 -5.14 118.68 113.86 3i2b s LEU 31 Ca 0.06 -0.27 -0.04 0.00 0.02 0.00 0.00 54.13 53.90 3i2b s LEU 31 Cb 0.06 -2.34 0.13 0.00 0.02 0.00 0.00 46.19 44.06 3i2b s LEU 31 CO 0.68 -0.07 1.05 -0.94 0.02 0.00 0.00 176.35 177.09 3i2b s SER 32 N -3.86 4.19 0.19 2.29 1.04 -1.26 -4.82 113.70 111.46 3i2b s SER 32 Ca 0.34 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.46 3i2b s SER 32 Cb -0.08 -0.16 0.11 0.00 0.10 0.00 0.00 66.02 65.99 3i2b s SER 32 CO 0.25 -1.98 1.79 0.44 0.98 0.00 0.00 173.24 174.73 3i2b h ASP 33 N -0.71 0.85 -0.57 7.02 3.32 -1.99 -0.45 116.42 123.88 3i2b h ASP 33 Ca -0.38 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.57 3i2b h ASP 33 Cb 1.27 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3i2b h ASP 33 CO 0.41 0.72 0.37 -0.33 -1.72 0.00 0.00 179.24 178.69 3i2b h GLU 34 N 0.92 0.73 -0.10 3.56 3.07 -2.00 -2.22 114.58 118.54 3i2b h GLU 34 Ca 0.23 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 3i2b h GLU 34 Cb 0.07 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3i2b h GLU 34 CO -0.03 0.48 -0.72 0.93 -1.40 0.00 0.00 179.01 178.27 3i2b h GLU 35 N 0.75 0.46 -0.30 2.33 5.08 -1.82 -2.43 114.58 118.66 3i2b h GLU 35 Ca 0.22 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 3i2b h GLU 35 Cb -0.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3i2b h GLU 35 CO -0.06 1.00 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.71 3i2b h ASN 36 N 0.32 0.67 -0.22 1.42 2.35 -0.97 -1.80 115.58 117.35 3i2b h ASN 36 Ca -0.03 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.40 3i2b h ASN 36 Cb 1.29 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 3i2b h ASN 36 CO 0.13 0.95 -0.03 0.25 -1.65 0.00 0.00 177.43 177.09 3i2b h LEU 37 N 0.55 0.40 -0.68 1.61 5.85 -1.33 -0.10 115.31 121.61 3i2b h LEU 37 Ca 0.06 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3i2b h LEU 37 Cb 0.83 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3i2b h LEU 37 CO 0.07 0.65 0.43 0.50 -0.34 0.00 0.00 178.44 179.74 3i2b h LYS 38 N 0.15 0.92 0.12 1.25 1.63 -1.33 0.73 116.57 120.03 3i2b h LYS 38 Ca 0.06 -0.07 -0.22 0.00 -0.85 0.00 0.00 60.65 59.56 3i2b h LYS 38 Cb 0.45 -0.20 0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3i2b h LYS 38 CO 0.02 0.64 -0.94 1.25 -3.45 0.00 0.00 179.45 176.97 3i2b h LEU 39 N 0.93 0.62 0.00 5.20 5.85 -1.29 -3.37 115.31 123.24 3i2b h LEU 39 Ca 0.25 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3i2b h LEU 39 Cb -0.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3i2b h LEU 39 CO -0.05 1.44 -0.91 0.49 -0.34 0.00 0.00 178.44 179.07 3i2b n PHE 40 N -4.03 0.00 0.00 1.25 3.72 -0.06 -5.05 117.46 113.30 3i2b n PHE 40 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3i2b n PHE 40 Cb 0.86 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 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 1.43 3.16 0.23 1.37 0.00 0.25 -1.95 105.19 109.68 3i2b n GLY 41 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.00 -1.96 -0.75 116.57 115.47 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 3i2b h LYS 42 CO 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 179.45 179.62 3i2b n ASN 44 N -2.36 1.53 -4.73 0.00 2.85 -0.29 -1.58 115.26 110.69 3i2b n ASN 44 Ca -0.01 -1.62 -0.65 0.00 -0.11 0.00 0.00 54.58 52.20 3i2b n ASN 44 Cb 0.08 -0.07 -0.09 0.00 1.24 0.00 0.00 39.78 40.95 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 0.22 1.49 -0.33 1.20 5.15 -0.44 -4.81 115.26 117.75 3i2b n ASN 45 Ca 0.17 1.16 0.11 0.00 -0.60 0.00 0.00 54.58 55.42 3i2b n ASN 45 Cb 0.32 -0.96 0.29 0.00 -0.53 0.00 0.00 39.78 38.91 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 5.53 0.63 -0.14 1.20 0.11 -1.93 0.99 132.00 138.38 3i2b h PRO 46 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i2b h PRO 46 Cb 1.36 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i2b h PRO 46 CO 0.96 0.42 0.00 0.09 -0.21 0.00 0.00 178.00 179.25 3i2b n ASN 47 N -4.85 1.37 0.00 -2.05 3.02 -1.26 -5.03 115.26 106.46 3i2b n ASN 47 Ca 0.21 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 3i2b n ASN 47 Cb 0.55 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.07 -0.31 1.14 7.41 0.00 0.34 -5.01 105.19 109.83 3i2b n GLY 48 Ca 0.16 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.42 -0.94 -3.98 1.61 1.44 -0.52 -4.87 115.22 107.54 3i2b n HIS 49 Ca 0.00 -0.74 -0.11 0.00 -2.01 0.00 0.00 57.72 54.86 3i2b n HIS 49 Cb 0.00 0.21 -0.03 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.71 0.85 -0.03 -1.39 0.00 -1.26 -1.19 107.32 102.59 3i2b s GLY 50 Ca 0.09 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 43.57 3i2b s GLY 50 CO 0.06 -0.68 0.33 0.30 0.00 0.00 0.00 173.10 173.11 3i2b s HIS 51 N -3.22 -0.23 -0.85 1.90 3.76 -0.36 -5.00 115.29 111.29 3i2b s HIS 51 Ca 0.24 0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 55.32 3i2b s HIS 51 Cb -0.02 0.11 0.08 0.00 1.11 0.00 0.00 32.58 33.87 3i2b s HIS 51 CO 0.14 -0.37 1.17 -0.80 -0.85 0.00 0.00 174.74 174.03 3i2b s ASN 52 N -1.12 6.41 0.31 1.40 0.01 -1.26 -1.81 114.94 118.87 3i2b s ASN 52 Ca -0.12 -1.42 -0.28 0.00 -0.71 0.00 0.00 52.86 50.33 3i2b s ASN 52 Cb -0.05 -2.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 3i2b s ASN 52 CO 0.04 -1.37 1.12 -0.31 -1.51 0.00 0.00 177.10 175.07 3i2b s TYR 53 N 3.96 3.46 -0.06 2.20 1.51 0.16 -4.75 117.35 123.83 3i2b s TYR 53 Ca 0.33 1.66 0.03 0.00 -1.01 0.00 0.00 57.07 58.08 3i2b s TYR 53 Cb -0.08 -3.31 -0.02 0.00 -0.11 0.00 0.00 41.96 38.44 3i2b s TYR 53 CO -0.01 -0.72 -0.14 0.15 -1.11 0.00 0.00 175.55 173.72 3i2b s LYS 54 N -1.66 2.64 -0.08 -0.62 1.02 -0.40 -0.90 119.74 119.74 3i2b s LYS 54 Ca 0.47 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.80 3i2b s LYS 54 Cb -0.31 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 3i2b s LYS 54 CO 0.40 0.57 -0.14 0.08 -0.92 0.00 0.00 175.35 175.34 3i2b s VAL 55 N -0.58 1.31 -0.24 3.17 1.01 0.14 -0.12 120.40 125.10 3i2b s VAL 55 Ca 0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3i2b s VAL 55 Cb -0.11 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3i2b s VAL 55 CO 0.01 0.40 0.00 -0.69 0.00 0.00 0.00 175.10 174.82 3i2b s VAL 56 N 0.78 3.69 -0.19 2.92 1.01 0.20 -1.13 120.40 127.67 3i2b s VAL 56 Ca -0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3i2b s VAL 56 Cb -0.16 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3i2b s VAL 56 CO 0.02 0.36 0.01 -0.69 0.00 0.00 0.00 175.10 174.80 3i2b s VAL 57 N 1.52 4.12 -0.12 2.92 1.01 -0.47 -1.11 120.40 128.26 3i2b s VAL 57 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3i2b s VAL 57 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3i2b s VAL 57 CO -0.01 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.48 3i2b s THR 58 N 0.81 2.71 0.32 3.92 2.01 0.05 -1.27 115.64 124.20 3i2b s THR 58 Ca 0.01 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.31 3i2b s THR 58 Cb -0.14 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 3i2b s THR 58 CO 0.02 0.53 0.07 0.68 -0.69 0.00 0.00 174.62 175.23 3i2b s VAL 59 N 0.38 2.97 0.06 3.82 -7.23 0.05 -0.76 120.40 119.69 3i2b s VAL 59 Ca -0.13 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3i2b s VAL 59 Cb -0.17 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 3i2b s VAL 59 CO 0.06 -0.23 0.05 -1.38 -0.31 0.00 0.00 175.10 173.30 3i2b s HIS 60 N -2.44 0.37 -5.00 2.82 -3.43 0.17 -0.93 115.29 106.85 3i2b s HIS 60 Ca 0.35 -0.87 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 3i2b s HIS 60 Cb -0.02 -0.26 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 3i2b s HIS 60 CO 0.21 -0.44 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 3i2b n GLY 61 N 0.09 -1.68 3.76 -1.38 0.00 -0.73 -4.71 105.19 100.54 3i2b n GLY 61 Ca -0.15 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.97 4.51 -0.32 1.61 2.12 -1.26 -1.06 118.70 122.33 3i2b s GLU 62 Ca 0.00 1.83 -0.29 0.00 0.36 0.00 0.00 54.97 56.87 3i2b s GLU 62 Cb 0.00 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.32 3i2b s GLU 62 CO 0.00 0.09 1.29 0.42 -0.54 0.00 0.00 175.26 176.52 3i2b s ILE 63 N -1.23 4.15 0.13 -3.70 1.01 0.05 -4.25 121.20 117.36 3i2b s ILE 63 Ca 0.47 1.29 -0.34 0.00 0.00 0.00 0.00 60.65 62.07 3i2b s ILE 63 Cb -0.32 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 37.82 3i2b s ILE 63 CO 0.41 -0.52 1.62 -0.67 0.00 0.00 0.00 174.94 175.79 3i2b n ASP 64 N 7.68 3.19 0.14 3.58 -0.08 -0.57 -4.74 116.55 125.74 3i2b n ASP 64 Ca 0.15 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.62 3i2b n ASP 64 Cb 0.47 -1.43 0.39 0.00 2.34 0.00 0.00 41.12 42.89 3i2b n ASP 64 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i2b h PRO 65 N 6.38 0.00 0.05 -0.67 0.13 -1.93 0.03 132.00 136.00 3i2b h PRO 65 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 3i2b h PRO 65 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3i2b h PRO 65 CO 0.90 0.00 -1.99 0.00 -0.23 0.00 0.00 178.00 176.68 3i2b n ALA 66 N -1.86 1.24 0.37 -0.56 0.00 -1.26 -4.56 120.51 113.88 3i2b n ALA 66 Ca 0.05 -0.80 0.09 0.00 0.00 0.00 0.00 53.44 52.78 3i2b n ALA 66 Cb 0.41 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.12 3i2b n ALA 66 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i2b n THR 67 N -3.22 0.00 -0.98 0.00 -2.24 -1.21 -4.99 114.28 101.64 3i2b n THR 67 Ca -0.28 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3i2b n THR 67 Cb 1.06 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 1.45 0.61 3.55 3.38 0.00 -0.00 -4.99 105.19 109.18 3i2b n GLY 68 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.16 2.74 0.03 1.61 -1.94 -1.26 -4.68 119.30 115.64 3i2b s MET 69 Ca 0.00 -0.58 -0.19 0.00 -1.71 0.00 0.00 55.69 53.21 3i2b s MET 69 Cb 0.00 -2.56 -0.19 0.00 2.01 0.00 0.00 34.83 34.09 3i2b s MET 69 CO 0.00 0.63 1.20 0.28 -0.01 0.00 0.00 175.02 177.12 3i2b h VAL 70 N 4.33 1.39 -2.55 -6.03 2.07 -1.91 -1.52 116.25 112.04 3i2b h VAL 70 Ca -0.47 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.12 3i2b h VAL 70 Cb 1.17 2.29 -0.24 0.00 -1.52 0.00 0.00 31.29 32.99 3i2b h VAL 70 CO 0.52 0.54 -0.18 -0.32 0.02 0.00 0.00 177.57 178.16 3i2b s MET 71 N -3.60 0.53 -0.00 1.57 1.75 -1.26 -4.87 119.30 113.42 3i2b s MET 71 Ca -0.13 0.74 -0.30 0.00 -1.25 0.00 0.00 55.69 54.75 3i2b s MET 71 Cb 0.05 0.19 -0.07 0.00 2.84 0.00 0.00 34.83 37.84 3i2b s MET 71 CO 0.81 -0.10 1.65 1.21 -0.65 0.00 0.00 175.02 177.95 3i2b s ASN 72 N 0.65 6.65 0.57 1.11 3.84 -1.26 -4.88 114.94 121.62 3i2b s ASN 72 Ca -0.03 2.34 0.27 0.00 0.21 0.00 0.00 52.86 55.65 3i2b s ASN 72 Cb -0.05 -2.55 1.55 0.00 -0.55 0.00 0.00 41.25 39.66 3i2b s ASN 72 CO -0.04 -0.90 2.05 -0.07 -2.79 0.00 0.00 177.10 175.35 3i2b h LEU 73 N 9.54 0.00 -0.95 3.21 3.38 -1.99 0.25 115.31 128.75 3i2b h LEU 73 Ca -0.41 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 3i2b h LEU 73 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3i2b h LEU 73 CO 0.94 0.00 -0.50 0.00 0.09 0.00 0.00 178.44 178.97 3i2b h ALA 74 N 1.73 1.13 -0.15 1.53 0.00 -2.00 -1.67 119.26 119.83 3i2b h ALA 74 Ca 0.13 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3i2b h ALA 74 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i2b h ALA 74 CO -0.00 0.63 -0.25 -0.44 0.00 0.00 0.00 179.25 179.19 3i2b h ASP 75 N 0.05 0.48 -0.39 0.00 3.32 -0.90 -2.85 116.42 116.14 3i2b h ASP 75 Ca -0.00 -0.53 -0.07 0.00 0.02 0.00 0.00 57.03 56.44 3i2b h ASP 75 Cb 0.90 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3i2b h ASP 75 CO 0.07 0.92 -0.01 0.25 -1.72 0.00 0.00 179.24 178.75 3i2b h LEU 76 N 0.06 0.75 -0.50 1.55 5.85 -1.26 -1.09 115.31 120.68 3i2b h LEU 76 Ca 0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3i2b h LEU 76 Cb 0.82 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3i2b h LEU 76 CO 0.06 0.82 0.31 0.50 -0.34 0.00 0.00 178.44 179.79 3i2b h LYS 77 N 0.73 0.67 -0.39 1.25 3.64 -1.39 -1.69 116.57 119.38 3i2b h LYS 77 Ca 0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3i2b h LYS 77 Cb 0.45 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3i2b h LYS 77 CO 0.02 0.47 0.15 0.87 -2.27 0.00 0.00 179.45 178.69 3i2b h LYS 78 N 0.67 0.59 -0.94 1.90 6.56 -0.99 0.63 116.57 124.98 3i2b h LYS 78 Ca 0.18 -0.11 0.03 0.00 -1.06 0.00 0.00 60.65 59.69 3i2b h LYS 78 Cb -0.04 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 31.48 3i2b h LYS 78 CO -0.04 0.57 0.62 1.88 -2.06 0.00 0.00 179.45 180.42 3i2b h TYR 79 N 0.49 1.16 -0.20 -1.35 0.05 -1.26 -1.68 116.97 114.18 3i2b h TYR 79 Ca 0.13 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.79 3i2b h TYR 79 Cb 0.21 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3i2b h TYR 79 CO 0.00 0.68 -0.50 0.52 -1.05 0.00 0.00 178.16 177.81 3i2b h MET 80 N 1.21 0.54 -0.80 4.88 2.86 -1.05 0.11 114.93 122.68 3i2b h MET 80 Ca 0.37 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3i2b h MET 80 Cb -0.03 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3i2b h MET 80 CO -0.11 0.92 0.46 1.49 1.06 0.00 0.00 176.91 180.72 3i2b h GLU 81 N 0.43 1.10 0.13 1.72 4.57 -0.35 -1.40 114.58 120.78 3i2b h GLU 81 Ca 0.02 -0.11 -0.30 0.00 -1.18 0.00 0.00 59.36 57.78 3i2b h GLU 81 Cb 1.03 -0.22 0.03 0.00 -0.16 0.00 0.00 28.75 29.42 3i2b h GLU 81 CO 0.09 0.79 -1.26 1.49 -1.18 0.00 0.00 179.01 178.95 3i2b h GLU 82 N 1.10 0.61 0.00 1.92 4.81 -1.00 -0.99 114.58 121.03 3i2b h GLU 82 Ca 0.28 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3i2b h GLU 82 Cb -0.00 0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3i2b h GLU 82 CO -0.05 1.38 -0.65 0.00 -0.73 0.00 0.00 179.01 178.96 3i2b h ALA 83 N 0.29 0.66 0.00 2.92 0.00 -0.76 -3.41 119.26 118.96 3i2b h ALA 83 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i2b h ALA 83 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3i2b h ALA 83 CO 0.24 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.60 3i2b n ILE 84 N -2.71 0.84 0.18 0.00 5.41 -0.55 -4.74 119.36 117.79 3i2b n ILE 84 Ca 0.02 0.28 -0.14 0.00 1.00 0.00 0.00 62.75 63.90 3i2b n ILE 84 Cb 0.53 -1.27 -0.08 0.00 -0.71 0.00 0.00 39.64 38.10 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 -0.42 -0.39 0.38 2.86 -1.30 -0.95 114.93 115.12 3i2b h MET 85 Ca 0.00 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3i2b h MET 85 Cb 0.00 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3i2b h MET 85 CO 0.00 -0.16 0.14 1.96 1.06 0.00 0.00 176.91 179.91 3i2b h GLN 86 N -0.63 0.29 0.00 1.72 4.20 -1.42 -0.49 115.11 118.78 3i2b h GLN 86 Ca -0.04 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3i2b h GLN 86 Cb 0.45 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3i2b h GLN 86 CO 0.07 0.19 -0.54 -1.00 -0.67 0.00 0.00 178.83 176.88 3i2b h PRO 87 N 0.30 0.00 0.00 1.46 0.13 -1.79 -3.40 132.00 128.70 3i2b h PRO 87 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 3i2b h PRO 87 Cb 0.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 3i2b h PRO 87 CO -0.18 0.43 -1.45 1.28 -0.23 0.00 0.00 178.00 177.84 3i2b n LEU 88 N -3.17 0.00 -4.71 1.56 4.77 -0.36 -4.84 117.00 110.24 3i2b n LEU 88 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3i2b n LEU 88 Cb 0.72 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 3i2b n LEU 88 CO 0.40 0.08 0.75 -0.62 -1.33 0.00 0.00 177.39 176.66 3i2b s ASP 89 N -3.37 7.29 -1.27 -1.43 2.15 -0.21 -3.34 116.67 116.49 3i2b s ASP 89 Ca -0.03 1.80 -0.02 0.00 0.43 0.00 0.00 52.55 54.73 3i2b s ASP 89 Cb 0.04 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 3i2b s ASP 89 CO 0.34 -0.30 0.93 1.41 -0.17 0.00 0.00 175.17 177.39 3i2b n HIS 90 N 3.71 -2.20 -4.23 -5.34 8.25 0.25 -4.94 115.22 110.71 3i2b n HIS 90 Ca 0.06 0.92 -0.14 0.00 -0.26 0.00 0.00 57.72 58.30 3i2b n HIS 90 Cb 0.49 -4.82 -0.10 0.00 1.12 0.00 0.00 29.99 26.68 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 -5.72 1.01 -0.32 -0.41 -0.14 -1.21 -5.02 119.74 107.93 3i2b s LYS 91 Ca 0.11 -1.38 -0.17 0.00 -1.36 0.00 0.00 55.97 53.17 3i2b s LYS 91 Cb -0.05 -0.62 -0.02 0.00 -1.68 0.00 0.00 37.83 35.46 3i2b s LYS 91 CO 0.76 0.08 0.46 1.21 -0.76 0.00 0.00 175.35 177.10 3i2b s ASN 92 N -2.97 6.30 0.13 2.83 3.84 -1.26 -1.64 114.94 122.16 3i2b s ASN 92 Ca 0.14 0.09 -0.19 0.00 0.21 0.00 0.00 52.86 53.11 3i2b s ASN 92 Cb 0.01 -2.25 -0.05 0.00 -0.55 0.00 0.00 41.25 38.41 3i2b s ASN 92 CO 0.01 -0.37 1.78 -0.07 -2.79 0.00 0.00 177.10 175.66 3i2b h LEU 93 N 8.89 0.24 -0.86 3.21 3.38 -1.28 0.34 115.31 129.24 3i2b h LEU 93 Ca -0.29 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3i2b h LEU 93 Cb 1.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3i2b h LEU 93 CO 0.73 0.18 -0.37 0.44 0.09 0.00 0.00 178.44 179.50 3i2b h ASP 94 N 0.30 0.00 0.00 -0.43 3.32 -1.85 -2.51 116.42 115.24 3i2b h ASP 94 Ca 0.09 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3i2b h ASP 94 Cb -0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3i2b h ASP 94 CO -0.03 0.37 -1.93 0.23 -1.72 0.00 0.00 179.24 176.16 3i2b n MET 95 N -3.48 0.93 -0.00 3.56 2.81 -1.17 -4.28 117.12 115.49 3i2b n MET 95 Ca 0.00 -0.09 0.06 0.00 -1.81 0.00 0.00 57.70 55.86 3i2b n MET 95 Cb 0.52 -1.41 -0.08 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.32 1.20 -4.18 7.83 8.00 0.10 -4.86 116.55 122.31 3i2b n ASP 96 Ca -0.14 -0.47 -0.36 0.00 0.71 0.00 0.00 54.79 54.53 3i2b n ASP 96 Cb 0.71 1.24 -0.12 0.00 -0.02 0.00 0.00 41.12 42.93 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 -2.46 3.37 0.31 2.53 1.01 -0.95 -5.00 120.40 119.22 3i2b s VAL 97 Ca 0.01 -1.56 0.08 0.00 0.00 0.00 0.00 61.98 60.51 3i2b s VAL 97 Cb 0.09 -3.07 0.31 0.00 0.00 0.00 0.00 36.38 33.71 3i2b s VAL 97 CO 0.52 -0.35 1.75 -0.65 0.00 0.00 0.00 175.10 176.36 3i2b h PRO 98 N 8.10 0.65 -0.98 2.72 0.11 -1.89 -0.03 132.00 140.67 3i2b h PRO 98 Ca -0.19 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 66.11 3i2b h PRO 98 Cb 1.06 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 31.91 3i2b h PRO 98 CO 0.62 0.43 0.57 -0.92 -0.21 0.00 0.00 178.00 178.49 3i2b h TYR 99 N 0.67 0.98 -0.22 0.65 5.03 -1.94 -0.14 116.97 122.00 3i2b h TYR 99 Ca 0.61 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.96 3i2b h TYR 99 Cb 1.07 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.07 3i2b h TYR 99 CO -0.01 0.10 0.00 1.19 -1.32 0.00 0.00 178.16 178.13 3i2b n PHE 100 N -4.87 0.30 -0.03 -3.82 3.72 -0.03 -3.72 117.46 109.01 3i2b n PHE 100 Ca 0.25 -0.15 -0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3i2b n PHE 100 Cb 0.67 -0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.49 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 3.40 1.36 0.00 4.37 0.00 -1.09 -3.28 119.26 124.02 3i2b h ALA 101 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3i2b h ALA 101 Cb 0.31 -0.17 -0.16 0.00 0.00 0.00 0.00 17.79 17.77 3i2b h ALA 101 CO 0.00 0.45 -0.66 -0.40 0.00 0.00 0.00 179.25 178.64 3i2b n ASP 102 N -4.29 1.19 -4.02 0.00 3.85 -1.24 -5.02 116.55 107.02 3i2b n ASP 102 Ca 0.02 -2.69 -0.21 0.00 -0.71 0.00 0.00 54.79 51.20 3i2b n ASP 102 Cb 0.23 -0.36 -0.16 0.00 -1.35 0.00 0.00 41.12 39.48 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3i2b s VAL 103 N -1.29 0.89 0.12 2.12 1.01 -1.24 -5.01 120.40 117.00 3i2b s VAL 103 Ca 0.29 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 3i2b s VAL 103 Cb 0.30 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 3i2b s VAL 103 CO -0.09 0.27 1.41 -0.69 0.00 0.00 0.00 175.10 176.01 3i2b s VAL 104 N 0.22 3.22 -0.20 2.92 1.01 -1.26 -4.63 120.40 121.68 3i2b s VAL 104 Ca -0.04 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 3i2b s VAL 104 Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3i2b s VAL 104 CO 0.01 0.07 2.70 -1.54 0.00 0.00 0.00 175.10 176.34 3i2b n SER 105 N 3.95 5.88 -4.73 3.32 3.41 -1.26 -4.68 113.62 119.50 3i2b n SER 105 Ca 0.12 -2.80 -0.31 0.00 -0.26 0.00 0.00 58.87 55.62 3i2b n SER 105 Cb 0.42 -1.23 0.12 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 -0.84 2.90 0.35 6.66 -4.23 -1.26 -4.81 115.64 114.41 3i2b s THR 106 Ca 0.43 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 3i2b s THR 106 Cb 0.26 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.61 3i2b s THR 106 CO -0.06 -0.38 1.86 0.74 -0.54 0.00 0.00 174.62 176.24 3i2b h THR 107 N -1.39 1.21 -0.42 3.99 2.02 -1.99 -1.18 112.91 115.14 3i2b h THR 107 Ca -0.44 -0.90 0.07 0.00 0.77 0.00 0.00 66.41 65.91 3i2b h THR 107 Cb 1.24 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 3i2b h THR 107 CO 0.48 0.29 0.08 -0.33 0.37 0.00 0.00 175.52 176.41 3i2b h GLU 108 N 0.33 0.21 0.00 6.66 3.07 -1.95 -0.95 114.58 121.94 3i2b h GLU 108 Ca 0.06 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 3i2b h GLU 108 Cb 0.43 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3i2b h GLU 108 CO 0.03 0.14 -0.44 -0.91 -1.40 0.00 0.00 179.01 176.42 3i2b h ASN 109 N 0.21 0.00 -0.33 1.42 2.35 -1.61 -2.15 115.58 115.47 3i2b h ASN 109 Ca 0.21 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3i2b h ASN 109 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3i2b h ASN 109 CO -0.27 0.44 -0.23 0.58 -1.65 0.00 0.00 177.43 176.30 3i2b h VAL 110 N 0.00 1.29 -0.84 2.81 2.07 -0.98 -1.32 116.25 119.27 3i2b h VAL 110 Ca -0.00 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 3i2b h VAL 110 Cb 1.10 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3i2b h VAL 110 CO 0.06 0.45 0.45 0.00 0.02 0.00 0.00 177.57 178.55 3i2b h ALA 111 N 0.76 1.08 -0.36 1.67 0.00 -0.87 -1.23 119.26 120.30 3i2b h ALA 111 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3i2b h ALA 111 Cb 0.79 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i2b h ALA 111 CO 0.06 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 180.09 3i2b h VAL 112 N 1.18 1.28 -0.34 0.00 2.07 -1.37 -1.05 116.25 118.02 3i2b h VAL 112 Ca 0.30 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3i2b h VAL 112 Cb 0.04 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3i2b h VAL 112 CO -0.05 0.39 0.09 0.22 0.02 0.00 0.00 177.57 178.24 3i2b h TYR 113 N 0.49 0.16 -0.38 1.57 3.20 -0.98 -0.80 116.97 120.23 3i2b h TYR 113 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3i2b h TYR 113 Cb 0.61 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3i2b h TYR 113 CO 0.05 0.05 0.13 0.82 -1.64 0.00 0.00 178.16 177.58 3i2b h ILE 114 N 0.22 1.20 -0.34 1.81 2.04 -1.09 -0.76 117.51 120.59 3i2b h ILE 114 Ca 0.16 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3i2b h ILE 114 Cb 0.16 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 3i2b h ILE 114 CO -0.19 0.23 -0.17 -0.25 0.00 0.00 0.00 178.15 177.78 3i2b h TRP 115 N 0.47 -0.41 -0.53 1.37 2.91 -0.96 0.18 115.95 118.98 3i2b h TRP 115 Ca 0.13 0.04 -0.08 0.00 1.13 0.00 0.00 58.89 60.11 3i2b h TRP 115 Cb 0.23 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 3i2b h TRP 115 CO 0.00 -0.24 0.02 -0.44 -1.03 0.00 0.00 178.44 176.76 3i2b h ASP 116 N -0.11 0.86 -0.35 2.65 3.32 -0.90 -0.51 116.42 121.37 3i2b h ASP 116 Ca 0.17 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3i2b h ASP 116 Cb 0.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3i2b h ASP 116 CO -0.41 0.91 -0.13 0.78 -1.72 0.00 0.00 179.24 178.67 3i2b h ASN 117 N 0.83 0.71 -0.39 6.45 4.21 -0.77 -2.21 115.58 124.41 3i2b h ASN 117 Ca 0.16 -0.39 0.03 0.00 1.21 0.00 0.00 56.30 57.31 3i2b h ASN 117 Cb 0.46 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 3i2b h ASN 117 CO 0.02 0.94 0.20 -0.07 -1.29 0.00 0.00 177.43 177.23 3i2b h LEU 118 N 0.48 0.30 -1.96 1.61 3.38 -0.24 -2.40 115.31 116.48 3i2b h LEU 118 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3i2b h LEU 118 Cb 0.65 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3i2b h LEU 118 CO 0.04 0.22 -0.08 1.56 0.09 0.00 0.00 178.44 180.27 3i2b h GLN 119 N 0.41 0.00 0.00 1.13 1.08 -0.94 0.36 115.11 117.16 3i2b h GLN 119 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3i2b h GLN 119 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3i2b h GLN 119 CO -0.11 0.08 0.00 1.63 -0.95 0.00 0.00 178.83 179.48 3i2b n LYS 120 N -4.20 0.01 0.00 1.46 5.02 -0.84 -3.84 118.16 115.76 3i2b n LYS 120 Ca -0.03 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3i2b n LYS 120 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3i2b n LYS 120 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i2b n VAL 121 N -1.49 0.00 -3.41 -0.18 0.31 0.10 -5.05 118.33 108.60 3i2b n VAL 121 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.09 3i2b n VAL 121 Cb 0.19 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.80 3i2b n VAL 121 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i2b s LEU 122 N -3.51 4.09 0.53 7.52 1.43 0.22 -5.04 118.68 123.91 3i2b s LEU 122 Ca 0.00 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 3i2b s LEU 122 Cb 0.00 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 3i2b s LEU 122 CO 0.00 -0.18 1.21 -2.65 0.23 0.00 0.00 176.35 174.96 3i2b n PRO 123 N -0.97 1.49 -1.63 1.29 -0.02 -1.26 -4.88 135.00 129.02 3i2b n PRO 123 Ca -0.03 0.55 -0.48 0.00 -2.02 0.00 0.00 63.50 61.52 3i2b n PRO 123 Cb 0.54 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3i2b n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i2b n VAL 124 N -1.01 0.26 -0.36 -1.45 0.31 -1.26 -3.44 118.33 111.38 3i2b n VAL 124 Ca 0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3i2b n VAL 124 Cb 0.44 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 3i2b n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i2b n GLY 125 N 2.73 0.72 0.09 2.92 0.00 -1.26 -4.93 105.19 105.46 3i2b n GLY 125 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3i2b n GLY 125 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i2b n VAL 126 N -2.10 1.61 -2.17 1.61 0.24 -1.22 -4.87 118.33 111.42 3i2b n VAL 126 Ca 0.00 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.34 61.09 3i2b n VAL 126 Cb 0.00 -1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 31.29 3i2b n VAL 126 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3i2b s LEU 127 N -6.13 4.37 -0.11 1.34 2.96 -1.26 -0.66 118.68 119.19 3i2b s LEU 127 Ca -0.07 2.32 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 3i2b s LEU 127 Cb 0.08 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 3i2b s LEU 127 CO 0.82 -0.65 -0.09 0.00 -1.32 0.00 0.00 176.35 175.11 3i2b n TYR 128 N 3.93 0.00 -3.61 5.38 9.36 0.06 -4.86 117.16 127.43 3i2b n TYR 128 Ca 0.11 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.19 3i2b n TYR 128 Cb 0.42 -0.44 -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 -2.23 0.88 -0.12 2.98 2.20 -0.80 -4.65 119.74 117.99 3i2b s LYS 129 Ca -0.15 0.85 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 3i2b s LYS 129 Cb 0.04 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.80 3i2b s LYS 129 CO 0.27 -0.15 -0.16 0.08 -0.36 0.00 0.00 175.35 175.03 3i2b s VAL 130 N 0.06 1.63 -0.10 4.02 1.01 -0.57 -0.77 120.40 125.68 3i2b s VAL 130 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3i2b s VAL 130 Cb -0.04 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3i2b s VAL 130 CO 0.03 0.47 -0.23 -0.75 0.00 0.00 0.00 175.10 174.61 3i2b s LYS 131 N 1.07 3.03 -0.14 2.72 2.20 -0.27 -1.29 119.74 127.06 3i2b s LYS 131 Ca -0.04 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3i2b s LYS 131 Cb -0.15 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 3i2b s LYS 131 CO -0.04 0.21 -0.18 0.08 -0.36 0.00 0.00 175.35 175.05 3i2b s VAL 132 N 0.28 1.82 -0.40 4.02 1.01 0.29 -0.63 120.40 126.79 3i2b s VAL 132 Ca -0.17 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 3i2b s VAL 132 Cb -0.17 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3i2b s VAL 132 CO 0.08 0.50 0.37 -0.31 0.00 0.00 0.00 175.10 175.74 3i2b s TYR 133 N 1.06 3.20 0.13 5.22 1.51 0.83 -0.84 117.35 128.46 3i2b s TYR 133 Ca -0.03 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.59 3i2b s TYR 133 Cb -0.14 -2.73 -0.07 0.00 -0.11 0.00 0.00 41.96 38.91 3i2b s TYR 133 CO -0.05 -0.59 1.37 1.49 -1.11 0.00 0.00 175.55 176.66 3i2b h GLU 134 N 8.63 0.67 -4.68 -0.62 4.81 -1.59 -1.05 114.58 120.74 3i2b h GLU 134 Ca -0.28 -0.53 -0.40 0.00 -0.13 0.00 0.00 59.36 58.03 3i2b h GLU 134 Cb 1.12 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.49 3i2b h GLU 134 CO 0.74 1.14 -0.44 0.95 -0.73 0.00 0.00 179.01 180.68 3i2b s THR 135 N -3.75 0.00 0.57 0.32 -4.23 -1.22 -4.58 115.64 102.74 3i2b s THR 135 Ca -0.09 -1.91 0.27 0.00 -1.18 0.00 0.00 61.69 58.79 3i2b s THR 135 Cb 0.09 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.78 3i2b s THR 135 CO 0.88 0.00 2.01 0.44 -0.54 0.00 0.00 174.62 177.41 3i2b h ASP 136 N 2.19 0.00 -0.01 3.99 3.32 -1.93 -3.04 116.42 120.94 3i2b h ASP 136 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 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 0.39 0.00 -0.13 0.59 -1.72 0.00 0.00 179.24 178.37 3i2b n ASN 137 N -3.96 1.52 -3.92 6.45 3.02 -1.26 -4.92 115.26 112.20 3i2b n ASN 137 Ca 0.06 -1.26 -0.30 0.00 -0.03 0.00 0.00 54.58 53.05 3i2b n ASN 137 Cb 0.49 0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.20 3.49 0.03 6.41 0.01 -1.15 -5.10 114.94 117.43 3i2b s ASN 138 Ca 0.10 -1.00 0.05 0.00 -0.71 0.00 0.00 52.86 51.31 3i2b s ASN 138 Cb 0.09 -1.07 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 3i2b s ASN 138 CO 0.21 -0.22 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.80 3i2b s ILE 139 N 1.49 1.19 -0.04 0.60 1.01 -1.26 -1.61 121.20 122.58 3i2b s ILE 139 Ca -0.03 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3i2b s ILE 139 Cb -0.18 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3i2b s ILE 139 CO -0.07 0.10 -0.20 -0.69 0.00 0.00 0.00 174.94 174.08 3i2b s VAL 140 N -0.73 1.67 -0.14 2.92 1.01 -0.02 -4.99 120.40 120.12 3i2b s VAL 140 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3i2b s VAL 140 Cb -0.07 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3i2b s VAL 140 CO 0.01 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 3i2b s VAL 141 N -0.15 2.21 -0.08 2.92 1.01 -1.26 -0.55 120.40 124.51 3i2b s VAL 141 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3i2b s VAL 141 Cb -0.11 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 3i2b s VAL 141 CO 0.02 0.54 -0.21 -0.47 0.00 0.00 0.00 175.10 174.98 3i2b s TYR 142 N 0.74 2.24 -0.08 5.22 5.04 -0.41 -5.01 117.35 125.09 3i2b s TYR 142 Ca -0.08 -0.81 0.12 0.00 -2.44 0.00 0.00 57.07 53.85 3i2b s TYR 142 Cb -0.16 -1.51 0.18 0.00 0.35 0.00 0.00 41.96 40.83 3i2b s TYR 142 CO 0.00 -0.31 1.08 1.63 -1.34 0.00 0.00 175.55 176.61 3i2b n LYS 143 N 3.37 1.15 -1.29 4.97 5.02 -1.26 -1.51 118.16 128.61 3i2b n LYS 143 Ca -0.19 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 3i2b n LYS 143 Cb 0.53 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.97 0.39 0.55 0.72 0.00 -1.26 -4.89 105.19 99.73 3i2b n GLY 144 Ca 0.10 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 45.17 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50