#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bx4 n ASP 4 N 0.00 -4.70 -4.75 1.62 8.00 -1.26 -4.87 116.55 110.59 3bx4 n ASP 4 Ca 0.00 0.52 -0.40 0.00 0.71 0.00 0.00 54.79 55.62 3bx4 n ASP 4 Cb 0.00 -2.22 -0.05 0.00 -0.02 0.00 0.00 41.12 38.84 3bx4 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bx4 s ASP 6 N -0.83 4.55 0.13 0.00 2.15 -1.26 -4.90 116.67 116.50 3bx4 s ASP 6 Ca 0.44 0.93 -0.35 0.00 0.43 0.00 0.00 52.55 54.00 3bx4 s ASP 6 Cb -0.30 -1.52 -0.16 0.00 -0.30 0.00 0.00 42.92 40.64 3bx4 s ASP 6 CO 0.37 -1.89 1.28 0.49 -0.17 0.00 0.00 175.17 175.25 3bx4 n PHE 7 N -3.33 1.46 0.00 -5.34 3.72 -1.26 -1.48 117.46 111.23 3bx4 n PHE 7 Ca 0.07 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 3bx4 n PHE 7 Cb 0.59 -2.32 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 3bx4 n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bx4 n GLY 8 N 2.33 2.03 3.78 1.37 0.00 -1.26 -5.04 105.19 108.41 3bx4 n GLY 8 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3bx4 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bx4 s TRP 9 N -2.33 3.23 -0.11 1.61 0.52 -0.55 -4.80 118.94 116.51 3bx4 s TRP 9 Ca 0.00 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.25 3bx4 s TRP 9 Cb 0.00 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.64 3bx4 s TRP 9 CO 0.00 0.53 -0.13 -1.12 0.02 0.00 0.00 176.95 176.25 3bx4 s SER 10 N -2.21 4.08 0.15 2.95 0.01 0.63 -4.69 113.70 114.62 3bx4 s SER 10 Ca 0.28 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.04 3bx4 s SER 10 Cb -0.12 -1.41 -0.08 0.00 0.21 0.00 0.00 66.02 64.62 3bx4 s SER 10 CO 0.20 0.22 0.71 -2.16 0.41 0.00 0.00 173.24 172.62 3bx4 s PRO 11 N 0.03 4.40 -0.14 12.44 0.04 -1.26 -0.59 135.00 149.93 3bx4 s PRO 11 Ca -0.04 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 61.91 3bx4 s PRO 11 Cb -0.14 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.27 3bx4 s PRO 11 CO 0.04 0.56 0.32 -0.47 0.04 0.00 0.00 177.00 177.49 3bx4 s TYR 12 N -1.21 -0.46 0.00 0.56 5.04 -0.80 -4.98 117.35 115.49 3bx4 s TYR 12 Ca 0.35 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3bx4 s TYR 12 Cb -0.21 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.25 3bx4 s TYR 12 CO 0.23 -0.29 0.00 -0.25 -1.34 0.00 0.00 175.55 173.91 3bx4 n ASP 13 N 4.25 0.00 -1.07 4.32 9.92 -1.26 -1.69 116.55 131.02 3bx4 n ASP 13 Ca -0.24 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.12 3bx4 n ASP 13 Cb 0.54 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 41.29 3bx4 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bx4 n GLN 14 N 14.00 2.36 -4.29 -1.24 0.00 -1.26 -4.96 117.38 121.99 3bx4 n GLN 14 Ca 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 57.00 54.66 3bx4 n GLN 14 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 30.24 28.69 3bx4 n GLN 14 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3bx4 s HIS 15 N -1.31 2.58 0.06 2.61 3.76 -0.68 -4.56 115.29 117.75 3bx4 s HIS 15 Ca 0.39 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 3bx4 s HIS 15 Cb 0.21 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 3bx4 s HIS 15 CO 0.28 0.43 -0.24 0.00 -0.85 0.00 0.00 174.74 174.36 3bx4 s TYR 17 N -0.90 0.52 -0.16 0.00 1.51 0.24 -0.14 117.35 118.43 3bx4 s TYR 17 Ca 0.13 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.44 3bx4 s TYR 17 Cb -0.10 -0.33 0.05 0.00 -0.11 0.00 0.00 41.96 41.46 3bx4 s TYR 17 CO 0.04 -0.17 0.40 -1.14 -1.11 0.00 0.00 175.55 173.57 3bx4 s GLN 18 N -2.07 0.43 -0.19 -0.62 0.74 -0.61 -0.26 119.66 117.08 3bx4 s GLN 18 Ca -0.08 0.65 -0.09 0.00 0.05 0.00 0.00 55.36 55.88 3bx4 s GLN 18 Cb -0.06 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.13 3bx4 s GLN 18 CO -0.02 -0.10 0.12 0.00 -0.55 0.00 0.00 175.29 174.74 3bx4 s ALA 19 N 0.69 3.64 -0.11 1.58 0.00 -1.26 -0.96 121.76 125.33 3bx4 s ALA 19 Ca -0.04 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3bx4 s ALA 19 Cb -0.05 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3bx4 s ALA 19 CO -0.05 0.19 -0.13 -0.06 0.00 0.00 0.00 175.76 175.72 3bx4 s PHE 20 N 0.28 2.80 -0.80 0.00 0.40 -0.48 -5.00 117.98 115.17 3bx4 s PHE 20 Ca 0.07 -0.49 0.24 0.00 -0.60 0.00 0.00 56.93 56.15 3bx4 s PHE 20 Cb -0.11 -1.79 0.36 0.00 0.51 0.00 0.00 43.02 41.98 3bx4 s PHE 20 CO -0.01 -0.09 1.31 0.27 0.70 0.00 0.00 175.22 177.39 3bx4 n ASN 21 N 3.20 0.59 -4.60 1.36 6.94 -1.26 -2.26 115.26 119.22 3bx4 n ASN 21 Ca -0.18 -0.12 -0.61 0.00 -0.02 0.00 0.00 54.58 53.65 3bx4 n ASN 21 Cb 0.53 0.32 -0.08 0.00 -2.36 0.00 0.00 39.78 38.19 3bx4 n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3bx4 n GLU 22 N -1.80 0.23 -3.19 -3.83 4.71 -1.26 -4.53 120.64 110.98 3bx4 n GLU 22 Ca 0.04 0.09 -0.40 0.00 -0.01 0.00 0.00 57.16 56.87 3bx4 n GLU 22 Cb 0.39 -1.62 -0.07 0.00 -1.01 0.00 0.00 31.44 29.13 3bx4 n GLU 22 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3bx4 s GLN 23 N 1.25 4.00 0.06 3.49 -0.21 -1.26 -4.10 119.66 122.89 3bx4 s GLN 23 Ca 0.95 0.31 0.01 0.00 0.02 0.00 0.00 55.36 56.66 3bx4 s GLN 23 Cb -1.28 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 29.01 3bx4 s GLN 23 CO 0.64 -0.43 -0.06 0.15 -2.12 0.00 0.00 175.29 173.46 3bx4 s LYS 24 N 2.42 0.59 1.05 2.91 1.02 -0.41 -4.61 119.74 122.70 3bx4 s LYS 24 Ca 0.23 -0.95 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 3bx4 s LYS 24 Cb -0.15 -0.16 0.22 0.00 -0.52 0.00 0.00 37.83 37.22 3bx4 s LYS 24 CO 0.10 -0.00 1.07 0.95 -0.92 0.00 0.00 175.35 176.55 3bx4 s THR 25 N -2.29 2.14 0.10 2.17 -4.23 -1.25 -1.14 115.64 111.14 3bx4 s THR 25 Ca -0.03 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.28 3bx4 s THR 25 Cb -0.04 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.40 3bx4 s THR 25 CO -0.02 -0.06 1.69 -0.25 -0.54 0.00 0.00 174.62 175.44 3bx4 h TRP 26 N -2.18 -0.31 -0.76 3.99 7.01 -1.42 -0.58 115.95 121.70 3bx4 h TRP 26 Ca -0.56 0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.46 3bx4 h TRP 26 Cb 1.32 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 28.47 3bx4 h TRP 26 CO 0.31 -0.18 0.49 -0.44 -2.79 0.00 0.00 178.44 175.84 3bx4 h ASP 27 N -0.23 0.84 -0.02 2.65 3.32 -1.92 0.09 116.42 121.16 3bx4 h ASP 27 Ca 0.03 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3bx4 h ASP 27 Cb 0.26 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3bx4 h ASP 27 CO -0.08 0.60 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.47 3bx4 h GLU 28 N 0.99 0.42 -0.11 3.56 4.39 -1.85 -0.96 114.58 121.02 3bx4 h GLU 28 Ca 0.29 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3bx4 h GLU 28 Cb -0.07 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3bx4 h GLU 28 CO -0.08 0.63 -0.04 0.00 -1.16 0.00 0.00 179.01 178.36 3bx4 h ALA 29 N 1.38 0.16 -0.48 3.43 0.00 -0.45 -0.02 119.26 123.27 3bx4 h ALA 29 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3bx4 h ALA 29 Cb 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3bx4 h ALA 29 CO 0.04 -0.08 0.26 1.49 0.00 0.00 0.00 179.25 180.96 3bx4 h GLU 30 N -0.11 0.51 -0.62 0.00 4.57 -0.86 -0.45 114.58 117.61 3bx4 h GLU 30 Ca 0.03 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3bx4 h GLU 30 Cb 0.48 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 3bx4 h GLU 30 CO 0.01 0.33 0.34 0.87 -1.18 0.00 0.00 179.01 179.39 3bx4 h LYS 31 N 0.52 0.63 -0.88 1.92 1.57 -1.05 -1.38 116.57 117.90 3bx4 h LYS 31 Ca 0.20 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3bx4 h LYS 31 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3bx4 h LYS 31 CO -0.12 0.42 0.45 0.35 -0.57 0.00 0.00 179.45 179.97 3bx4 h PHE 32 N 0.65 1.24 -0.45 -1.35 3.57 -0.44 -2.40 116.94 117.75 3bx4 h PHE 32 Ca 0.27 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3bx4 h PHE 32 Cb 0.15 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3bx4 h PHE 32 CO -0.08 0.87 -0.04 0.00 -2.23 0.00 0.00 178.31 176.83 3bx4 h ARG 34 N 0.71 0.00 -0.02 0.00 2.47 -0.82 -1.07 114.38 115.65 3bx4 h ARG 34 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3bx4 h ARG 34 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3bx4 h ARG 34 CO 0.03 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.56 3bx4 n ALA 35 N -2.09 2.60 -2.63 0.04 0.00 -0.71 -4.13 120.51 113.59 3bx4 n ALA 35 Ca -0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 3bx4 n ALA 35 Cb 0.26 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 3bx4 n ALA 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bx4 s GLN 36 N -1.98 3.96 4.89 0.00 -1.52 -0.51 -4.92 119.66 119.57 3bx4 s GLN 36 Ca 0.40 0.26 0.00 0.00 -1.95 0.00 0.00 55.36 54.06 3bx4 s GLN 36 Cb 0.21 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 3bx4 s GLN 36 CO 0.33 0.55 0.00 0.39 -0.25 0.00 0.00 175.29 176.31 3bx4 n GLU 37 N 2.43 0.00 -0.49 2.91 -0.58 -1.26 -0.39 120.64 123.26 3bx4 n GLU 37 Ca -0.14 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.63 3bx4 n GLU 37 Cb 0.53 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.60 3bx4 n GLU 37 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3bx4 n ASN 38 N 3.59 3.51 0.00 1.62 6.94 -1.26 -4.89 115.26 124.78 3bx4 n ASN 38 Ca 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 54.58 52.05 3bx4 n ASN 38 Cb 0.00 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 3bx4 n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bx4 n GLY 39 N 0.29 0.46 3.98 4.83 0.00 0.48 -5.04 105.19 110.19 3bx4 n GLY 39 Ca 0.16 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3bx4 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx4 s ALA 40 N 0.00 3.28 0.14 4.61 0.00 -0.58 -4.77 121.76 124.44 3bx4 s ALA 40 Ca 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 3bx4 s ALA 40 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3bx4 s ALA 40 CO 0.00 -1.87 0.11 -1.01 0.00 0.00 0.00 175.76 172.99 3bx4 s HIS 41 N -3.41 0.73 0.35 0.00 3.76 -0.73 -2.61 115.29 113.38 3bx4 s HIS 41 Ca 0.70 -1.10 -0.27 0.00 -0.15 0.00 0.00 55.06 54.24 3bx4 s HIS 41 Cb -0.04 -0.37 -0.12 0.00 1.11 0.00 0.00 32.58 33.16 3bx4 s HIS 41 CO 0.48 -0.57 1.11 1.28 -0.85 0.00 0.00 174.74 176.19 3bx4 n LEU 42 N -0.12 2.69 -4.73 0.89 4.77 -1.26 -0.65 117.00 118.59 3bx4 n LEU 42 Ca -0.06 1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 56.65 3bx4 n LEU 42 Cb 0.63 -1.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 3bx4 n LEU 42 CO 0.29 -1.09 1.28 0.00 -1.33 0.00 0.00 177.39 176.54 3bx4 s ALA 43 N -1.14 3.82 0.25 -1.18 0.00 -0.37 -4.07 121.76 119.08 3bx4 s ALA 43 Ca 0.59 1.50 -0.05 0.00 0.00 0.00 0.00 51.96 53.99 3bx4 s ALA 43 Cb -0.61 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 18.80 3bx4 s ALA 43 CO 0.60 -0.88 0.52 -1.54 0.00 0.00 0.00 175.76 174.46 3bx4 s SER 44 N 0.94 6.48 -0.15 0.00 1.04 -1.26 -0.83 113.70 119.92 3bx4 s SER 44 Ca 0.69 0.71 -0.00 0.00 0.48 0.00 0.00 55.95 57.84 3bx4 s SER 44 Cb -0.47 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 63.54 3bx4 s SER 44 CO 0.36 -0.13 -0.08 -0.63 0.98 0.00 0.00 173.24 173.74 3bx4 s ILE 45 N -1.97 1.20 -0.62 -1.02 1.01 -1.26 -5.01 121.20 113.53 3bx4 s ILE 45 Ca 0.44 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.57 3bx4 s ILE 45 Cb -0.11 -1.28 0.04 0.00 0.01 0.00 0.00 42.46 41.12 3bx4 s ILE 45 CO 0.28 0.25 0.65 -0.62 0.00 0.00 0.00 174.94 175.50 3bx4 n GLU 46 N 4.86 -0.27 -3.74 2.79 -0.58 -1.26 -4.98 120.64 117.47 3bx4 n GLU 46 Ca -0.13 -0.79 -0.06 0.00 -0.42 0.00 0.00 57.16 55.76 3bx4 n GLU 46 Cb 0.49 -1.09 -0.02 0.00 -0.57 0.00 0.00 31.44 30.25 3bx4 n GLU 46 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3bx4 s SER 47 N -0.42 -0.25 0.28 1.62 1.04 -1.26 -5.00 113.70 109.70 3bx4 s SER 47 Ca 0.06 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 3bx4 s SER 47 Cb 0.04 0.56 0.37 0.00 0.10 0.00 0.00 66.02 67.09 3bx4 s SER 47 CO 0.06 -1.02 1.91 0.78 0.98 0.00 0.00 173.24 175.96 3bx4 h ASN 48 N 2.00 0.97 -0.09 7.02 2.35 -1.99 -0.76 115.58 125.08 3bx4 h ASN 48 Ca -0.23 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 3bx4 h ASN 48 Cb 1.24 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3bx4 h ASN 48 CO 0.26 0.76 -0.31 1.23 -1.65 0.00 0.00 177.43 177.73 3bx4 h GLY 49 N 1.13 0.62 1.42 2.83 0.00 -1.99 -0.10 103.07 106.97 3bx4 h GLY 49 Ca 0.28 -0.55 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 3bx4 h GLY 49 CO -0.05 0.50 -0.74 -2.09 0.00 0.00 0.00 176.54 174.16 3bx4 h GLU 50 N 0.49 0.57 -0.42 4.80 4.81 -1.84 -1.52 114.58 121.46 3bx4 h GLU 50 Ca 0.06 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 3bx4 h GLU 50 Cb 0.77 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 3bx4 h GLU 50 CO 0.06 1.09 0.20 0.00 -0.73 0.00 0.00 179.01 179.63 3bx4 h ALA 51 N 0.78 0.52 -0.81 2.92 0.00 -0.88 0.66 119.26 122.45 3bx4 h ALA 51 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3bx4 h ALA 51 Cb 1.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3bx4 h ALA 51 CO 0.14 -0.17 0.52 -0.44 0.00 0.00 0.00 179.25 179.30 3bx4 h ASP 52 N 0.40 0.86 0.05 0.00 3.32 -0.82 -1.30 116.42 118.93 3bx4 h ASP 52 Ca 0.19 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3bx4 h ASP 52 Cb 0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3bx4 h ASP 52 CO -0.14 0.60 -0.02 0.15 -1.72 0.00 0.00 179.24 178.10 3bx4 h PHE 53 N 1.01 -0.06 -0.82 4.55 3.57 -0.72 -1.50 116.94 122.97 3bx4 h PHE 53 Ca 0.32 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3bx4 h PHE 53 Cb 0.00 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3bx4 h PHE 53 CO -0.03 0.24 0.42 0.28 -2.23 0.00 0.00 178.31 176.99 3bx4 h VAL 54 N -0.37 1.25 -0.41 1.41 2.07 -0.73 0.18 116.25 119.66 3bx4 h VAL 54 Ca -0.01 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3bx4 h VAL 54 Cb 0.33 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3bx4 h VAL 54 CO 0.01 0.29 0.24 -1.28 0.02 0.00 0.00 177.57 176.85 3bx4 h SER 55 N 1.15 0.40 -0.75 0.57 0.87 -1.14 -1.92 113.55 112.73 3bx4 h SER 55 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3bx4 h SER 55 Cb 0.08 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3bx4 h SER 55 CO -0.04 0.28 0.48 -0.25 -0.53 0.00 0.00 176.83 176.77 3bx4 h TRP 56 N 0.49 0.95 -0.67 2.24 7.01 -0.78 -1.01 115.95 124.18 3bx4 h TRP 56 Ca 0.16 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 3bx4 h TRP 56 Cb 0.00 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 3bx4 h TRP 56 CO -0.07 0.62 0.31 1.25 -2.79 0.00 0.00 178.44 177.76 3bx4 h LEU 57 N 1.01 0.89 -0.30 0.65 5.85 -0.63 0.13 115.31 122.91 3bx4 h LEU 57 Ca 0.27 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 3bx4 h LEU 57 Cb -0.09 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 3bx4 h LEU 57 CO -0.06 0.78 -0.41 0.40 -0.34 0.00 0.00 178.44 178.82 3bx4 h ILE 58 N 0.94 1.29 0.00 4.05 2.04 -1.09 -2.73 117.51 122.01 3bx4 h ILE 58 Ca 0.23 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 3bx4 h ILE 58 Cb 0.14 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3bx4 h ILE 58 CO -0.03 0.52 -0.09 0.28 0.00 0.00 0.00 178.15 178.83 3bx4 h SER 59 N 0.58 0.00 1.10 1.72 0.02 -0.33 -1.97 113.55 114.67 3bx4 h SER 59 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3bx4 h SER 59 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3bx4 h SER 59 CO 0.10 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.87 3bx4 n GLN 60 N -3.81 0.21 -3.05 3.45 1.13 0.38 -4.71 117.38 110.98 3bx4 n GLN 60 Ca -0.02 0.29 -0.44 0.00 -1.94 0.00 0.00 57.00 54.89 3bx4 n GLN 60 Cb 0.19 -1.81 -0.05 0.00 0.11 0.00 0.00 30.24 28.68 3bx4 n GLN 60 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3bx4 s LYS 61 N -3.18 3.14 0.21 -1.09 -0.14 -0.74 -4.93 119.74 113.00 3bx4 s LYS 61 Ca 0.08 -0.85 -0.10 0.00 -1.36 0.00 0.00 55.97 53.74 3bx4 s LYS 61 Cb 0.11 -4.14 0.20 0.00 -1.68 0.00 0.00 37.83 32.33 3bx4 s LYS 61 CO 0.50 -1.41 1.83 -0.44 -0.76 0.00 0.00 175.35 175.07 3bx4 h ASP 62 N 9.17 0.67 0.23 2.83 3.32 -1.85 -2.46 116.42 128.32 3bx4 h ASP 62 Ca -0.28 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3bx4 h ASP 62 Cb 1.09 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3bx4 h ASP 62 CO 1.04 0.45 0.00 -0.62 -1.72 0.00 0.00 179.24 178.40 3bx4 n GLU 63 N -4.70 0.08 -0.45 3.56 1.02 -1.26 -2.24 120.64 116.65 3bx4 n GLU 63 Ca 0.08 0.49 0.08 0.00 -0.02 0.00 0.00 57.16 57.79 3bx4 n GLU 63 Cb 0.11 -1.73 0.29 0.00 -0.02 0.00 0.00 31.44 30.10 3bx4 n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bx4 n LEU 64 N -1.90 3.77 -0.25 -4.62 4.77 -0.93 -4.64 117.00 113.20 3bx4 n LEU 64 Ca 0.01 -1.90 -0.01 0.00 -0.03 0.00 0.00 56.01 54.08 3bx4 n LEU 64 Cb 0.08 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 40.80 3bx4 n LEU 64 CO 0.09 0.72 1.12 0.00 -1.33 0.00 0.00 177.39 178.00 3bx4 h ALA 65 N 3.94 0.97 -0.62 -1.18 0.00 -1.59 -2.56 119.26 118.23 3bx4 h ALA 65 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bx4 h ALA 65 Cb 1.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3bx4 h ALA 65 CO 0.14 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 3bx4 n ASP 66 N -4.73 4.49 -4.75 0.00 8.00 -1.26 -4.99 116.55 113.31 3bx4 n ASP 66 Ca 0.09 -2.38 -0.40 0.00 0.71 0.00 0.00 54.79 52.81 3bx4 n ASP 66 Cb 0.17 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.67 3bx4 n ASP 66 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3bx4 s GLU 67 N -1.71 4.76 -0.02 -1.24 2.56 -0.97 -4.95 118.70 117.13 3bx4 s GLU 67 Ca 0.49 1.56 0.18 0.00 0.00 0.00 0.00 54.97 57.19 3bx4 s GLU 67 Cb 0.31 -3.29 -0.19 0.00 2.00 0.00 0.00 34.13 32.95 3bx4 s GLU 67 CO 0.25 0.35 0.60 -0.40 -0.56 0.00 0.00 175.26 175.49 3bx4 n ASP 68 N 1.84 0.55 -3.99 -1.70 5.75 -1.26 -4.57 116.55 113.17 3bx4 n ASP 68 Ca -0.00 0.25 -0.11 0.00 -0.01 0.00 0.00 54.79 54.91 3bx4 n ASP 68 Cb 0.47 0.58 -0.12 0.00 -1.03 0.00 0.00 41.12 41.02 3bx4 n ASP 68 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3bx4 s TYR 69 N -2.89 0.38 -0.07 2.11 2.02 -1.26 -1.39 117.35 116.25 3bx4 s TYR 69 Ca -0.05 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.20 3bx4 s TYR 69 Cb 0.09 -0.25 0.03 0.00 -0.40 0.00 0.00 41.96 41.43 3bx4 s TYR 69 CO 0.83 -0.13 -0.02 0.08 -1.57 0.00 0.00 175.55 174.74 3bx4 s VAL 70 N -1.21 0.51 0.42 0.71 1.01 -0.14 -3.94 120.40 117.75 3bx4 s VAL 70 Ca -0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3bx4 s VAL 70 Cb -0.09 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 3bx4 s VAL 70 CO -0.00 0.26 1.23 0.26 0.00 0.00 0.00 175.10 176.85 3bx4 s TRP 71 N 1.61 2.90 0.21 5.22 0.23 0.25 -0.60 118.94 128.75 3bx4 s TRP 71 Ca -0.00 1.49 0.02 0.00 -2.03 0.00 0.00 56.10 55.58 3bx4 s TRP 71 Cb -0.13 -3.52 -0.01 0.00 0.03 0.00 0.00 33.47 29.84 3bx4 s TRP 71 CO -0.04 -1.73 0.08 0.44 0.96 0.00 0.00 176.95 176.66 3bx4 n ILE 72 N -0.04 0.00 -0.07 2.03 -5.35 -0.90 -2.47 119.36 112.56 3bx4 n ILE 72 Ca 0.05 -1.22 0.04 0.00 -0.27 0.00 0.00 62.75 61.36 3bx4 n ILE 72 Cb 0.45 0.45 0.24 0.00 -1.74 0.00 0.00 39.64 39.04 3bx4 n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bx4 n GLY 73 N 0.68 2.30 3.69 3.28 0.00 -0.01 -4.55 105.19 110.58 3bx4 n GLY 73 Ca -0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3bx4 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bx4 s LEU 74 N -1.58 4.26 -0.07 0.99 1.43 -1.26 -4.95 118.68 117.49 3bx4 s LEU 74 Ca 0.32 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 55.06 3bx4 s LEU 74 Cb 0.24 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.94 3bx4 s LEU 74 CO 0.10 -0.52 0.17 -0.60 0.23 0.00 0.00 176.35 175.73 3bx4 s ARG 75 N 2.12 0.13 0.13 1.70 6.06 -1.26 -0.18 118.95 127.65 3bx4 s ARG 75 Ca 0.52 0.38 -0.30 0.00 -2.50 0.00 0.00 55.73 53.84 3bx4 s ARG 75 Cb -0.22 -0.13 -0.07 0.00 0.06 0.00 0.00 34.95 34.60 3bx4 s ARG 75 CO 0.20 -0.14 1.10 0.00 -2.50 0.00 0.00 175.30 173.95 3bx4 s ALA 76 N 1.03 3.34 -0.22 6.12 0.00 0.05 -4.95 121.76 127.12 3bx4 s ALA 76 Ca -0.08 0.77 0.22 0.00 0.00 0.00 0.00 51.96 52.88 3bx4 s ALA 76 Cb -0.10 -3.36 -0.19 0.00 0.00 0.00 0.00 23.12 19.47 3bx4 s ALA 76 CO -0.06 -0.24 0.72 1.04 0.00 0.00 0.00 175.76 177.23 3bx4 n GLN 77 N 2.90 0.55 -1.67 0.00 1.13 -1.26 -4.91 117.38 114.12 3bx4 n GLN 77 Ca 0.04 -0.08 -0.45 0.00 -1.94 0.00 0.00 57.00 54.57 3bx4 n GLN 77 Cb 0.47 -1.61 -0.04 0.00 0.11 0.00 0.00 30.24 29.18 3bx4 n GLN 77 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3bx4 n ASN 78 N -2.27 3.02 0.25 1.08 2.85 -1.26 -4.92 115.26 114.01 3bx4 n ASN 78 Ca -0.02 1.10 0.15 0.00 -0.11 0.00 0.00 54.58 55.71 3bx4 n ASN 78 Cb 0.53 -1.43 0.48 0.00 1.24 0.00 0.00 39.78 40.59 3bx4 n ASN 78 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 3bx4 h LYS 79 N 5.36 0.00 -7.13 1.20 2.10 -1.99 -3.46 116.57 112.64 3bx4 h LYS 79 Ca -0.45 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.68 3bx4 h LYS 79 Cb 1.26 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.71 3bx4 h LYS 79 CO 0.84 0.00 0.43 -1.21 -2.00 0.00 0.00 179.45 177.52 3bx4 s GLU 80 N -3.48 2.80 0.03 0.07 0.41 -1.26 -4.94 118.70 112.32 3bx4 s GLU 80 Ca 0.04 1.72 0.27 0.00 -0.41 0.00 0.00 54.97 56.59 3bx4 s GLU 80 Cb 0.07 -1.92 0.92 0.00 -1.78 0.00 0.00 34.13 31.43 3bx4 s GLU 80 CO 0.60 -1.32 1.72 1.04 -0.49 0.00 0.00 175.26 176.81 3bx4 n GLN 81 N -1.95 0.04 -3.79 1.61 1.13 -1.26 -4.74 117.38 108.42 3bx4 n GLN 81 Ca 0.13 0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 55.09 3bx4 n GLN 81 Cb 0.50 -1.54 -0.11 0.00 0.11 0.00 0.00 30.24 29.21 3bx4 n GLN 81 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3bx4 s GLN 82 N -3.02 0.40 -0.02 -1.09 1.03 -1.26 -4.81 119.66 110.89 3bx4 s GLN 82 Ca 0.12 0.18 0.19 0.00 0.04 0.00 0.00 55.36 55.89 3bx4 s GLN 82 Cb 0.18 0.19 0.56 0.00 0.03 0.00 0.00 33.01 33.96 3bx4 s GLN 82 CO 0.60 -0.07 1.47 0.00 -2.54 0.00 0.00 175.29 174.75 3bx4 s SER 84 N -1.01 6.40 0.00 0.00 0.01 -1.26 -4.93 113.70 112.92 3bx4 s SER 84 Ca 0.42 -0.14 0.26 0.00 1.31 0.00 0.00 55.95 57.80 3bx4 s SER 84 Cb 0.23 -2.39 0.71 0.00 0.21 0.00 0.00 66.02 64.78 3bx4 s SER 84 CO 0.27 -0.96 1.54 -1.54 0.41 0.00 0.00 173.24 172.97 3bx4 n SER 85 N 6.81 1.53 -4.13 2.44 3.41 -1.26 -4.83 113.62 117.58 3bx4 n SER 85 Ca 0.02 -1.30 -0.25 0.00 -0.26 0.00 0.00 58.87 57.09 3bx4 n SER 85 Cb 0.48 0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.39 3bx4 n SER 85 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3bx4 s GLU 86 N -2.27 1.48 0.81 4.33 2.02 -1.26 -1.31 118.70 122.50 3bx4 s GLU 86 Ca 0.29 -0.57 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 3bx4 s GLU 86 Cb 0.20 -1.36 0.08 0.00 0.10 0.00 0.00 34.13 33.15 3bx4 s GLU 86 CO 0.44 0.29 1.09 -1.58 0.02 0.00 0.00 175.26 175.52 3bx4 s TRP 87 N -0.16 2.49 0.56 1.61 0.52 0.24 -4.89 118.94 119.31 3bx4 s TRP 87 Ca 0.01 1.49 0.27 0.00 0.02 0.00 0.00 56.10 57.89 3bx4 s TRP 87 Cb -0.09 -3.08 1.68 0.00 -1.15 0.00 0.00 33.47 30.84 3bx4 s TRP 87 CO 0.01 -1.97 2.22 0.66 0.02 0.00 0.00 176.95 177.89 3bx4 h SER 88 N -1.25 0.00 0.00 2.95 4.64 -2.01 0.84 113.55 118.71 3bx4 h SER 88 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bx4 h SER 88 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3bx4 h SER 88 CO 0.52 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.59 3bx4 n ASP 89 N -3.97 0.00 0.00 4.97 3.85 -1.26 -4.91 116.55 115.22 3bx4 n ASP 89 Ca -0.03 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.05 3bx4 n ASP 89 Cb 0.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3bx4 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bx4 n GLY 90 N 0.74 2.06 3.82 6.12 0.00 0.29 -5.05 105.19 113.18 3bx4 n GLY 90 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3bx4 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bx4 s SER 91 N -1.98 6.17 0.46 1.61 1.04 -1.26 -4.74 113.70 114.99 3bx4 s SER 91 Ca 0.00 1.70 -0.21 0.00 0.48 0.00 0.00 55.95 57.92 3bx4 s SER 91 Cb 0.00 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 3bx4 s SER 91 CO 0.00 -0.90 1.01 -0.44 0.98 0.00 0.00 173.24 173.89 3bx4 s SER 92 N -2.93 6.57 -0.11 7.02 0.01 -1.26 -0.59 113.70 122.41 3bx4 s SER 92 Ca 0.61 1.86 -0.27 0.00 1.31 0.00 0.00 55.95 59.47 3bx4 s SER 92 Cb -0.13 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 3bx4 s SER 92 CO 0.35 -0.62 0.87 -0.69 0.41 0.00 0.00 173.24 173.55 3bx4 s VAL 93 N -2.01 4.89 0.00 3.43 1.01 -0.43 -4.80 120.40 122.49 3bx4 s VAL 93 Ca 0.65 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.39 3bx4 s VAL 93 Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3bx4 s VAL 93 CO 0.18 0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.83 3bx4 n SER 94 N 4.68 0.00 -4.59 3.32 3.41 -1.26 -5.01 113.62 114.18 3bx4 n SER 94 Ca 0.05 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.19 3bx4 n SER 94 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 3bx4 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bx4 n TYR 95 N -1.02 1.30 -3.80 7.33 9.36 -1.26 -5.00 117.16 124.06 3bx4 n TYR 95 Ca 0.00 0.68 -0.12 0.00 3.32 0.00 0.00 57.90 61.78 3bx4 n TYR 95 Cb 0.00 -2.27 -0.10 0.00 -0.63 0.00 0.00 39.34 36.34 3bx4 n TYR 95 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 3bx4 s GLU 96 N -0.99 0.47 -0.60 2.98 2.02 -1.26 -5.10 118.70 116.23 3bx4 s GLU 96 Ca 0.65 -0.05 0.06 0.00 0.02 0.00 0.00 54.97 55.65 3bx4 s GLU 96 Cb -0.76 0.21 0.21 0.00 0.10 0.00 0.00 34.13 33.89 3bx4 s GLU 96 CO 0.56 -0.11 0.57 -1.71 0.02 0.00 0.00 175.26 174.59 3bx4 n ASN 97 N 1.96 2.39 -1.86 -0.19 4.05 -1.26 -4.89 115.26 115.45 3bx4 n ASN 97 Ca -0.19 -3.11 0.07 0.00 0.45 0.00 0.00 54.58 51.81 3bx4 n ASN 97 Cb 0.57 -0.68 0.40 0.00 1.23 0.00 0.00 39.78 41.30 3bx4 n ASN 97 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3bx4 n LEU 98 N 1.59 5.63 0.22 1.20 4.77 -1.26 -4.70 117.00 124.45 3bx4 n LEU 98 Ca 0.25 -2.86 0.09 0.00 -0.03 0.00 0.00 56.01 53.46 3bx4 n LEU 98 Cb 0.42 -0.68 0.50 0.00 -2.33 0.00 0.00 43.42 41.33 3bx4 n LEU 98 CO 0.28 0.65 0.81 0.16 -1.33 0.00 0.00 177.39 177.96 3bx4 h ILE 99 N 4.03 0.75 0.00 -0.08 3.07 -2.05 -2.25 117.51 120.97 3bx4 h ILE 99 Ca 0.00 -1.07 0.00 0.00 1.55 0.00 0.00 64.86 65.34 3bx4 h ILE 99 Cb 1.92 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 40.14 3bx4 h ILE 99 CO 0.46 0.25 -0.38 0.47 -1.05 0.00 0.00 178.15 177.90 3bx4 n ASP 100 N -3.60 0.39 -4.98 2.16 8.00 -1.26 -4.95 116.55 112.30 3bx4 n ASP 100 Ca -0.01 -0.04 -0.20 0.00 0.71 0.00 0.00 54.79 55.25 3bx4 n ASP 100 Cb 0.39 0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 3bx4 n ASP 100 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bx4 s LEU 101 N -3.08 4.12 0.18 0.64 1.43 -0.85 -5.13 118.68 116.00 3bx4 s LEU 101 Ca 0.11 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.28 3bx4 s LEU 101 Cb 0.18 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3bx4 s LEU 101 CO 0.66 -0.28 -0.22 -1.00 0.23 0.00 0.00 176.35 175.74 3bx4 s HIS 102 N -2.11 2.12 0.10 0.29 3.76 -1.26 -5.06 115.29 113.13 3bx4 s HIS 102 Ca 0.40 -0.40 -0.33 0.00 -0.15 0.00 0.00 55.06 54.59 3bx4 s HIS 102 Cb -0.09 -1.05 -0.12 0.00 1.11 0.00 0.00 32.58 32.42 3bx4 s HIS 102 CO 0.31 0.44 1.74 -2.37 -0.85 0.00 0.00 174.74 174.00 3bx4 n THR 103 N 0.27 0.25 -1.87 1.30 5.66 -1.26 -4.94 114.28 113.69 3bx4 n THR 103 Ca -0.13 -0.04 -0.34 0.00 -3.05 0.00 0.00 64.05 60.49 3bx4 n THR 103 Cb 0.56 -1.82 0.04 0.00 -1.55 0.00 0.00 70.33 67.56 3bx4 n THR 103 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3bx4 n LYS 104 N 4.87 2.96 -0.51 1.09 5.02 -1.26 -2.53 118.16 127.80 3bx4 n LYS 104 Ca 0.19 -3.71 0.05 0.00 -2.02 0.00 0.00 58.31 52.81 3bx4 n LYS 104 Cb 0.32 -2.27 0.23 0.00 -0.02 0.00 0.00 35.03 33.29 3bx4 n LYS 104 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bx4 n LYS 105 N -0.66 2.44 -4.99 1.97 5.02 -1.24 -4.12 118.16 116.58 3bx4 n LYS 105 Ca 0.53 -2.91 -0.31 0.00 -2.02 0.00 0.00 58.31 53.60 3bx4 n LYS 105 Cb 0.52 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 3bx4 n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bx4 s GLY 107 N -1.00 2.23 0.12 0.00 0.00 0.75 -0.14 107.32 109.27 3bx4 s GLY 107 Ca 0.12 -0.64 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 3bx4 s GLY 107 CO 0.01 -0.56 0.21 0.00 0.00 0.00 0.00 173.10 172.76 3bx4 s ALA 108 N -1.54 0.02 0.09 3.20 0.00 -0.11 -2.12 121.76 121.31 3bx4 s ALA 108 Ca 0.37 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 3bx4 s ALA 108 Cb -0.13 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 3bx4 s ALA 108 CO 0.24 -0.56 0.29 -0.51 0.00 0.00 0.00 175.76 175.22 3bx4 s LEU 109 N -2.93 4.32 -0.01 0.00 1.43 0.23 -1.30 118.68 120.42 3bx4 s LEU 109 Ca 0.12 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 3bx4 s LEU 109 Cb 0.05 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3bx4 s LEU 109 CO -0.05 0.13 -0.15 -1.83 0.23 0.00 0.00 176.35 174.67 3bx4 s GLU 110 N -2.48 1.23 0.37 1.70 -1.05 -1.26 -0.97 118.70 116.24 3bx4 s GLU 110 Ca 0.37 -0.58 0.08 0.00 -0.15 0.00 0.00 54.97 54.69 3bx4 s GLU 110 Cb -0.13 -1.20 0.81 0.00 -0.44 0.00 0.00 34.13 33.18 3bx4 s GLU 110 CO 0.25 0.33 1.95 -0.22 0.95 0.00 0.00 175.26 178.51 3bx4 h LYS 111 N 5.67 0.66 -0.69 -4.83 3.64 -1.47 -0.10 116.57 119.45 3bx4 h LYS 111 Ca -0.36 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.04 3bx4 h LYS 111 Cb 1.16 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3bx4 h LYS 111 CO 0.48 0.43 0.45 1.25 -2.27 0.00 0.00 179.45 179.80 3bx4 h LEU 112 N 0.68 0.63 -3.46 5.20 5.85 -1.94 -1.80 115.31 120.47 3bx4 h LEU 112 Ca 0.33 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.76 3bx4 h LEU 112 Cb 0.39 -0.14 -0.18 0.00 0.37 0.00 0.00 40.66 41.10 3bx4 h LEU 112 CO -0.11 0.42 -0.18 0.35 -0.34 0.00 0.00 178.44 178.57 3bx4 n THR 113 N -4.47 2.63 -1.05 1.05 -2.24 -1.00 -4.94 114.28 104.26 3bx4 n THR 113 Ca 0.10 -3.12 -0.02 0.00 -2.27 0.00 0.00 64.05 58.74 3bx4 n THR 113 Cb 0.21 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.88 3bx4 n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bx4 n GLY 114 N -1.03 0.52 3.75 3.38 0.00 -0.68 -3.19 105.19 107.94 3bx4 n GLY 114 Ca 0.37 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3bx4 n GLY 114 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bx4 n PHE 115 N -2.92 -2.30 0.03 1.61 3.01 -0.08 -4.88 117.46 111.92 3bx4 n PHE 115 Ca -0.02 0.91 0.00 0.00 1.01 0.00 0.00 57.45 59.36 3bx4 n PHE 115 Cb 0.07 -4.41 0.00 0.00 -0.01 0.00 0.00 39.48 35.13 3bx4 n PHE 115 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3bx4 n ARG 116 N -4.58 0.00 -2.13 -1.08 1.74 -1.19 -4.15 116.66 105.26 3bx4 n ARG 116 Ca -0.09 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.58 3bx4 n ARG 116 Cb 0.59 -0.23 -0.02 0.00 -1.02 0.00 0.00 32.46 31.78 3bx4 n ARG 116 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3bx4 s LYS 117 N -1.47 4.37 0.32 5.56 -0.14 -1.26 -4.94 119.74 122.17 3bx4 s LYS 117 Ca 0.00 2.20 -0.28 0.00 -1.36 0.00 0.00 55.97 56.53 3bx4 s LYS 117 Cb 0.00 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.98 3bx4 s LYS 117 CO 0.00 -0.17 1.13 -1.58 -0.76 0.00 0.00 175.35 173.97 3bx4 s TRP 118 N -1.14 3.42 0.10 3.18 0.51 -1.26 -4.18 118.94 119.56 3bx4 s TRP 118 Ca 0.49 1.64 0.03 0.00 -2.12 0.00 0.00 56.10 56.14 3bx4 s TRP 118 Cb -0.39 -3.33 -0.04 0.00 -0.81 0.00 0.00 33.47 28.90 3bx4 s TRP 118 CO 0.52 -0.81 -0.10 0.14 -0.51 0.00 0.00 176.95 176.20 3bx4 s VAL 119 N -1.25 0.92 0.07 4.03 -7.23 -0.42 -4.98 120.40 111.54 3bx4 s VAL 119 Ca 0.48 -1.70 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 3bx4 s VAL 119 Cb -0.32 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 3bx4 s VAL 119 CO 0.41 -0.61 0.37 0.54 -0.31 0.00 0.00 175.10 175.49 3bx4 s ASN 120 N -2.57 6.59 0.22 4.85 4.22 -1.26 -0.93 114.94 126.06 3bx4 s ASN 120 Ca 0.07 0.72 -0.02 0.00 -2.14 0.00 0.00 52.86 51.49 3bx4 s ASN 120 Cb -0.01 -2.15 0.01 0.00 1.28 0.00 0.00 41.25 40.37 3bx4 s ASN 120 CO -0.01 0.17 0.32 0.00 -2.04 0.00 0.00 177.10 175.55 3bx4 n TYR 121 N 0.84 -1.14 -2.70 1.54 -0.00 0.80 -4.93 117.16 111.56 3bx4 n TYR 121 Ca -0.08 -1.43 -0.43 0.00 -0.00 0.00 0.00 57.90 55.96 3bx4 n TYR 121 Cb 0.52 0.37 -0.03 0.00 -0.00 0.00 0.00 39.34 40.20 3bx4 n TYR 121 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 3bx4 s TYR 122 N -3.82 2.93 0.49 2.98 1.51 -1.26 -3.37 117.35 116.81 3bx4 s TYR 122 Ca 0.17 0.69 0.27 0.00 -1.01 0.00 0.00 57.07 57.19 3bx4 s TYR 122 Cb -0.01 -4.08 1.34 0.00 -0.11 0.00 0.00 41.96 39.10 3bx4 s TYR 122 CO 0.12 -1.08 1.85 0.00 -1.11 0.00 0.00 175.55 175.33 3bx4 n GLU 124 N -4.37 1.37 -2.92 0.00 -0.58 -1.26 -1.47 120.64 111.40 3bx4 n GLU 124 Ca 0.21 -0.62 -0.38 0.00 -0.42 0.00 0.00 57.16 55.95 3bx4 n GLU 124 Cb 0.93 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 30.25 3bx4 n GLU 124 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3bx4 s GLN 125 N -2.06 4.53 -0.21 3.49 -0.21 -0.54 -4.76 119.66 119.89 3bx4 s GLN 125 Ca 0.39 1.18 -0.23 0.00 0.02 0.00 0.00 55.36 56.72 3bx4 s GLN 125 Cb 0.21 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 31.18 3bx4 s GLN 125 CO 0.36 0.43 0.74 -1.64 -2.12 0.00 0.00 175.29 173.06 3bx4 s MET 126 N -1.64 4.21 0.15 2.91 -1.94 -1.26 -3.89 119.30 117.83 3bx4 s MET 126 Ca 0.43 0.80 -0.05 0.00 -1.71 0.00 0.00 55.69 55.16 3bx4 s MET 126 Cb -0.20 -3.61 -0.02 0.00 2.01 0.00 0.00 34.83 33.00 3bx4 s MET 126 CO 0.25 -0.38 0.18 -1.01 -0.01 0.00 0.00 175.02 174.05 3bx4 s HIS 127 N 2.35 0.61 1.07 -0.03 3.76 -0.29 -4.64 115.29 118.12 3bx4 s HIS 127 Ca 0.32 -0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 54.13 3bx4 s HIS 127 Cb -0.16 -0.26 0.23 0.00 1.11 0.00 0.00 32.58 33.51 3bx4 s HIS 127 CO 0.10 -0.62 1.06 0.00 -0.85 0.00 0.00 174.74 174.43 3bx4 s ALA 128 N -4.01 0.27 0.25 -1.40 0.00 -1.25 -1.29 121.76 114.33 3bx4 s ALA 128 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 3bx4 s ALA 128 Cb 0.05 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3bx4 s ALA 128 CO 0.01 -3.37 0.63 -0.59 0.00 0.00 0.00 175.76 172.43 3bx4 s PHE 129 N -2.60 -0.07 -0.05 0.00 -0.71 -0.96 -0.58 117.98 113.02 3bx4 s PHE 129 Ca 0.67 -0.34 0.03 0.00 -1.04 0.00 0.00 56.93 56.25 3bx4 s PHE 129 Cb -0.23 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 3bx4 s PHE 129 CO 0.62 -1.11 -0.11 0.08 -1.34 0.00 0.00 175.22 173.36 3bx4 s VAL 130 N -3.93 1.00 0.12 -2.49 1.01 -1.03 -1.38 120.40 113.70 3bx4 s VAL 130 Ca 0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3bx4 s VAL 130 Cb -0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3bx4 s VAL 130 CO 0.05 0.31 0.35 0.00 0.00 0.00 0.00 175.10 175.81 3bx4 s LYS 132 N -2.57 1.09 0.01 0.00 2.20 0.17 -1.57 119.74 119.07 3bx4 s LYS 132 Ca 0.39 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 3bx4 s LYS 132 Cb -0.12 -1.00 -0.01 0.00 -1.51 0.00 0.00 37.83 35.19 3bx4 s LYS 132 CO 0.24 0.10 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.03 3bx4 s LEU 133 N 0.28 2.07 -0.41 5.43 2.96 0.80 -1.77 118.68 128.04 3bx4 s LEU 133 Ca -0.05 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 3bx4 s LEU 133 Cb -0.10 -0.65 0.06 0.00 0.50 0.00 0.00 46.19 46.00 3bx4 s LEU 133 CO 0.01 0.12 0.27 -0.22 -1.32 0.00 0.00 176.35 175.21 3bx4 s LEU 134 N -0.57 5.10 0.39 -0.68 2.96 -1.26 -0.89 118.68 123.73 3bx4 s LEU 134 Ca 0.04 -1.29 -0.26 0.00 -0.22 0.00 0.00 54.13 52.40 3bx4 s LEU 134 Cb -0.06 -2.04 -0.09 0.00 0.50 0.00 0.00 46.19 44.51 3bx4 s LEU 134 CO 0.00 -0.51 1.20 -2.16 -1.32 0.00 0.00 176.35 173.56 3bx4 s PRO 135 N 1.51 4.08 0.00 0.98 0.04 -1.26 -4.96 135.00 135.39 3bx4 s PRO 135 Ca 0.03 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3bx4 s PRO 135 Cb -0.22 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3bx4 s PRO 135 CO 0.05 -0.32 0.00 0.98 0.04 0.00 0.00 177.00 177.74