#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4r n GLU -6 N 0.00 -1.14 -1.43 1.57 1.02 -1.26 -5.01 120.64 114.39 3d4r n GLU -6 Ca 0.00 0.78 -0.29 0.00 -0.02 0.00 0.00 57.16 57.63 3d4r n GLU -6 Cb 0.00 -4.87 0.19 0.00 -0.02 0.00 0.00 31.44 26.74 3d4r n GLU -6 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3d4r s ASN -5 N -2.56 2.37 0.30 1.62 0.01 -1.26 -4.96 114.94 110.46 3d4r s ASN -5 Ca 0.00 0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 52.54 3d4r s ASN -5 Cb 0.00 -1.01 -0.11 0.00 0.41 0.00 0.00 41.25 40.55 3d4r s ASN -5 CO 0.00 -3.23 1.46 -0.76 -1.51 0.00 0.00 177.10 173.05 3d4r s LEU -4 N -6.37 4.37 -0.11 0.60 1.43 -1.26 -4.97 118.68 112.36 3d4r s LEU -4 Ca 0.69 2.81 -0.11 0.00 -1.03 0.00 0.00 54.13 56.50 3d4r s LEU -4 Cb -0.10 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3d4r s LEU -4 CO 0.55 -0.75 0.24 -0.47 0.23 0.00 0.00 176.35 176.14 3d4r s TYR -3 N -0.46 3.58 -0.16 0.29 5.04 -1.26 -4.99 117.35 119.38 3d4r s TYR -3 Ca 0.57 0.63 0.18 0.00 -2.44 0.00 0.00 57.07 56.00 3d4r s TYR -3 Cb -0.44 -2.14 0.45 0.00 0.35 0.00 0.00 41.96 40.18 3d4r s TYR -3 CO 0.50 0.55 1.18 1.19 -1.34 0.00 0.00 175.55 177.63 3d4r n PHE -2 N 2.50 0.68 -3.98 4.97 3.72 -1.26 -4.68 117.46 119.41 3d4r n PHE -2 Ca -0.16 -1.39 -0.31 0.00 -0.05 0.00 0.00 57.45 55.54 3d4r n PHE -2 Cb 0.53 -0.23 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 3d4r n PHE -2 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3d4r n GLN -1 N -0.41 -4.94 -2.76 -1.08 6.02 -1.26 -4.87 117.38 108.08 3d4r n GLN -1 Ca 0.17 0.54 -0.03 0.00 -0.01 0.00 0.00 57.00 57.67 3d4r n GLN -1 Cb 0.91 -5.37 0.00 0.00 1.02 0.00 0.00 30.24 26.81 3d4r n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d4r n GLY 0 N -1.63 -1.17 3.50 1.08 0.00 -1.26 -5.21 105.19 100.50 3d4r n GLY 0 Ca 0.03 0.70 -0.34 0.00 0.00 0.00 0.00 46.02 46.41 3d4r n GLY 0 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4r s LYS 2 N -2.72 3.69 0.35 1.61 -2.85 -1.26 -5.28 119.74 113.27 3d4r s LYS 2 Ca 0.10 -0.50 0.08 0.00 -1.00 0.00 0.00 55.97 54.65 3d4r s LYS 2 Cb -0.03 -2.96 -0.05 0.00 -2.06 0.00 0.00 37.83 32.74 3d4r s LYS 2 CO 0.65 0.22 0.08 0.96 0.10 0.00 0.00 175.35 177.37 3d4r s ILE 3 N 0.42 2.73 0.63 3.79 -4.36 -1.26 -4.88 121.20 118.27 3d4r s ILE 3 Ca -0.03 -1.84 -0.16 0.00 -0.26 0.00 0.00 60.65 58.36 3d4r s ILE 3 Cb -0.14 -2.89 -0.01 0.00 1.25 0.00 0.00 42.46 40.67 3d4r s ILE 3 CO 0.03 -0.17 1.12 -2.84 0.24 0.00 0.00 174.94 173.32 3d4r s PRO 4 N -3.78 2.91 0.36 0.37 0.02 -1.26 -4.43 135.00 129.18 3d4r s PRO 4 Ca 0.36 1.48 -0.20 0.00 0.02 0.00 0.00 61.00 62.66 3d4r s PRO 4 Cb -0.00 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 3d4r s PRO 4 CO 0.21 -1.18 0.87 0.15 -0.33 0.00 0.00 177.00 176.72 3d4r s LYS 5 N -3.86 4.25 -0.08 5.54 1.02 0.03 -4.91 119.74 121.73 3d4r s LYS 5 Ca 0.69 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.73 3d4r s LYS 5 Cb -0.22 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3d4r s LYS 5 CO 0.38 0.12 -0.15 -1.50 -0.92 0.00 0.00 175.35 173.27 3d4r s ILE 6 N -1.95 1.41 -0.09 2.17 2.07 -1.26 -1.22 121.20 122.32 3d4r s ILE 6 Ca 0.56 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 59.21 3d4r s ILE 6 Cb -0.12 -1.26 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 3d4r s ILE 6 CO 0.17 0.42 -0.22 -0.31 -1.91 0.00 0.00 174.94 173.08 3d4r s TYR 7 N 0.63 2.56 -0.03 3.50 1.51 -0.26 -1.94 117.35 123.31 3d4r s TYR 7 Ca -0.15 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.13 3d4r s TYR 7 Cb -0.16 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3d4r s TYR 7 CO 0.04 -0.29 -0.18 0.08 -1.11 0.00 0.00 175.55 174.10 3d4r s VAL 8 N 0.12 1.44 0.21 0.71 1.01 0.51 -1.01 120.40 123.38 3d4r s VAL 8 Ca -0.11 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 3d4r s VAL 8 Cb -0.16 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 3d4r s VAL 8 CO 0.06 0.41 1.46 -0.70 0.00 0.00 0.00 175.10 176.34 3d4r s GLU 9 N -0.10 4.27 0.00 2.72 -6.30 0.06 -0.58 118.70 118.77 3d4r s GLU 9 Ca -0.01 2.28 0.00 0.00 -2.50 0.00 0.00 54.97 54.74 3d4r s GLU 9 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 34.13 30.89 3d4r s GLU 9 CO 0.01 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.24 3d4r n GLY 10 N 2.77 0.96 2.53 -1.50 0.00 -1.23 -4.81 105.19 103.93 3d4r n GLY 10 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3d4r n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d4r n GLU 11 N -2.00 4.65 -1.65 1.61 -0.58 -1.20 -4.98 120.64 116.48 3d4r n GLU 11 Ca 0.00 -3.72 -0.60 0.00 -0.42 0.00 0.00 57.16 52.43 3d4r n GLU 11 Cb 0.00 -2.55 -0.08 0.00 -0.57 0.00 0.00 31.44 28.24 3d4r n GLU 11 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3d4r n LEU 12 N 1.14 1.33 0.00 -4.62 4.77 -1.26 -4.71 117.00 113.65 3d4r n LEU 12 Ca 0.57 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.67 3d4r n LEU 12 Cb 0.27 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3d4r n LEU 12 CO 0.61 -1.03 0.07 -0.46 -1.33 0.00 0.00 177.39 175.26 3d4r n ASN 13 N 3.47 -0.35 -1.71 -1.43 0.23 -1.26 -5.04 115.26 109.17 3d4r n ASN 13 Ca 0.25 -1.29 0.09 0.00 -0.53 0.00 0.00 54.58 53.09 3d4r n ASN 13 Cb 0.08 0.60 0.38 0.00 -2.08 0.00 0.00 39.78 38.75 3d4r n ASN 13 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3d4r n ASP 14 N -1.34 5.11 -3.53 0.53 5.75 -1.26 -4.98 116.55 116.83 3d4r n ASP 14 Ca -0.01 -2.61 -0.23 0.00 -0.01 0.00 0.00 54.79 51.92 3d4r n ASP 14 Cb 0.10 -0.62 0.16 0.00 -1.03 0.00 0.00 41.12 39.73 3d4r n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d4r n GLY 15 N 0.97 -1.36 3.75 6.12 0.00 -1.26 -5.03 105.19 108.39 3d4r n GLY 15 Ca 0.27 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3d4r n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d4r s ASP 16 N -4.84 4.87 0.15 1.61 1.01 -1.26 -4.76 116.67 113.45 3d4r s ASP 16 Ca 0.60 2.21 0.07 0.00 0.71 0.00 0.00 52.55 56.13 3d4r s ASP 16 Cb -0.02 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3d4r s ASP 16 CO 0.42 -1.80 -0.15 -0.13 0.21 0.00 0.00 175.17 173.71 3d4r s ARG 17 N -3.81 1.15 -0.07 8.23 0.52 -1.26 -1.15 118.95 122.55 3d4r s ARG 17 Ca 0.72 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3d4r s ARG 17 Cb -0.25 -1.05 0.01 0.00 0.52 0.00 0.00 34.95 34.18 3d4r s ARG 17 CO 0.40 0.20 -0.12 0.08 0.02 0.00 0.00 175.30 175.88 3d4r s VAL 18 N -2.34 1.13 -0.07 3.52 1.01 -0.53 -1.36 120.40 121.75 3d4r s VAL 18 Ca 0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3d4r s VAL 18 Cb -0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3d4r s VAL 18 CO 0.04 0.36 0.29 0.00 0.00 0.00 0.00 175.10 175.79 3d4r s ALA 19 N 0.78 3.74 -0.23 5.51 0.00 0.85 -0.41 121.76 132.01 3d4r s ALA 19 Ca -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3d4r s ALA 19 Cb -0.15 -2.24 0.05 0.00 0.00 0.00 0.00 23.12 20.78 3d4r s ALA 19 CO 0.02 0.46 -0.13 0.42 0.00 0.00 0.00 175.76 176.53 3d4r s ILE 20 N -0.76 2.04 0.47 0.00 -1.09 -0.02 -0.83 121.20 121.01 3d4r s ILE 20 Ca 0.19 -1.36 0.01 0.00 -2.23 0.00 0.00 60.65 57.26 3d4r s ILE 20 Cb -0.14 -2.08 0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3d4r s ILE 20 CO 0.08 0.13 0.10 -0.62 -1.23 0.00 0.00 174.94 173.40 3d4r n GLU 21 N 4.52 0.86 -3.93 2.79 1.02 -0.55 -1.30 120.64 124.05 3d4r n GLU 21 Ca -0.16 -3.26 -0.27 0.00 -0.02 0.00 0.00 57.16 53.45 3d4r n GLU 21 Cb 0.45 0.74 -0.00 0.00 -0.02 0.00 0.00 31.44 32.60 3d4r n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d4r n LYS 22 N -1.28 -4.07 -3.84 3.49 5.02 -1.26 -1.38 118.16 114.84 3d4r n LYS 22 Ca -0.14 0.48 -0.27 0.00 -2.02 0.00 0.00 58.31 56.36 3d4r n LYS 22 Cb 0.57 -4.95 0.03 0.00 -0.02 0.00 0.00 35.03 30.66 3d4r n LYS 22 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3d4r n ASP 23 N -2.92 -3.65 0.00 4.39 3.85 -1.26 -1.62 116.55 115.34 3d4r n ASP 23 Ca -0.18 -0.79 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 3d4r n ASP 23 Cb 0.62 -3.97 0.00 0.00 -1.35 0.00 0.00 41.12 36.42 3d4r n ASP 23 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d4r n GLY 24 N -1.67 0.75 0.02 6.12 0.00 -0.48 -4.95 105.19 104.97 3d4r n GLY 24 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3d4r n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4r n ASN 25 N 0.00 0.66 -4.13 1.61 3.02 -0.64 -4.82 115.26 110.96 3d4r n ASN 25 Ca 0.00 -0.40 -0.32 0.00 -0.03 0.00 0.00 54.58 53.83 3d4r n ASN 25 Cb 0.00 0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 39.69 3d4r n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d4r s ALA 26 N -3.10 2.14 -0.20 5.41 0.00 -0.93 -5.00 121.76 120.08 3d4r s ALA 26 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3d4r s ALA 26 Cb 0.16 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.29 3d4r s ALA 26 CO 0.79 -0.13 -0.15 0.42 0.00 0.00 0.00 175.76 176.68 3d4r s ILE 27 N 1.00 2.33 -0.23 0.00 1.01 -1.26 -1.47 121.20 122.57 3d4r s ILE 27 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3d4r s ILE 27 Cb -0.15 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.32 3d4r s ILE 27 CO -0.05 0.41 -0.06 -0.63 0.00 0.00 0.00 174.94 174.62 3d4r s ILE 28 N 1.29 1.50 -0.04 2.92 1.01 -0.01 -4.99 121.20 122.90 3d4r s ILE 28 Ca 0.03 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 3d4r s ILE 28 Cb -0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3d4r s ILE 28 CO -0.10 -0.06 1.30 -0.36 0.00 0.00 0.00 174.94 175.72 3d4r s PHE 29 N 1.41 3.01 0.14 3.97 0.08 -1.26 -0.10 117.98 125.23 3d4r s PHE 29 Ca -0.05 1.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.96 3d4r s PHE 29 Cb -0.18 -3.54 -0.06 0.00 -0.57 0.00 0.00 43.02 38.67 3d4r s PHE 29 CO -0.06 -1.86 0.39 -0.51 -0.10 0.00 0.00 175.22 173.08 3d4r s LEU 30 N 2.38 4.27 0.43 -0.37 1.43 -0.47 -4.96 118.68 121.40 3d4r s LEU 30 Ca 0.59 0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 54.11 3d4r s LEU 30 Cb -0.28 -3.29 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 3d4r s LEU 30 CO 0.24 0.06 1.03 -1.61 0.23 0.00 0.00 176.35 176.30 3d4r s GLU 31 N -2.56 4.06 0.25 1.70 0.41 -1.26 -4.52 118.70 116.78 3d4r s GLU 31 Ca 0.40 1.41 0.07 0.00 -0.41 0.00 0.00 54.97 56.44 3d4r s GLU 31 Cb -0.12 -2.35 0.75 0.00 -1.78 0.00 0.00 34.13 30.62 3d4r s GLU 31 CO 0.23 -0.22 1.18 0.36 -0.49 0.00 0.00 175.26 176.33 3d4r n LYS 32 N -0.43 -0.05 -0.17 1.61 2.85 -1.26 -1.56 118.16 119.14 3d4r n LYS 32 Ca 0.07 1.09 0.06 0.00 -1.05 0.00 0.00 58.31 58.48 3d4r n LYS 32 Cb 0.51 -1.82 0.09 0.00 -0.65 0.00 0.00 35.03 33.16 3d4r n LYS 32 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3d4r n ASP 33 N -4.92 1.63 -4.70 -5.58 8.00 -1.26 -5.00 116.55 104.73 3d4r n ASP 33 Ca 0.22 -2.64 -0.41 0.00 0.71 0.00 0.00 54.79 52.67 3d4r n ASP 33 Cb 0.73 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 3d4r n ASP 33 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3d4r s GLU 34 N -1.88 4.41 0.27 -1.24 -1.05 -0.60 -5.01 118.70 113.59 3d4r s GLU 34 Ca 0.20 1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 55.73 3d4r s GLU 34 Cb 0.17 -3.49 -0.10 0.00 -0.44 0.00 0.00 34.13 30.27 3d4r s GLU 34 CO 0.02 -0.08 1.43 -1.83 0.95 0.00 0.00 175.26 175.76 3d4r s GLU 35 N 1.25 4.26 -0.29 -4.83 -1.05 -1.26 -4.81 118.70 111.97 3d4r s GLU 35 Ca 0.40 2.32 -0.17 0.00 -0.15 0.00 0.00 54.97 57.37 3d4r s GLU 35 Cb -0.18 -3.09 -0.02 0.00 -0.44 0.00 0.00 34.13 30.40 3d4r s GLU 35 CO 0.18 -0.41 0.49 -0.47 0.95 0.00 0.00 175.26 176.00 3d4r s TYR 36 N -0.19 3.23 -0.18 4.83 5.04 -1.26 -4.93 117.35 123.89 3d4r s TYR 36 Ca 0.58 0.44 0.16 0.00 -2.44 0.00 0.00 57.07 55.82 3d4r s TYR 36 Cb -0.42 -2.77 0.46 0.00 0.35 0.00 0.00 41.96 39.58 3d4r s TYR 36 CO 0.46 -0.36 1.35 0.43 -1.34 0.00 0.00 175.55 176.08 3d4r n SER 37 N 5.58 3.24 -3.08 4.32 7.64 -1.26 -5.03 113.62 125.03 3d4r n SER 37 Ca -0.05 -3.16 -0.09 0.00 1.01 0.00 0.00 58.87 56.59 3d4r n SER 37 Cb 0.50 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 3d4r n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4r n GLY 38 N -0.86 1.19 0.49 0.23 0.00 -1.26 -5.05 105.19 99.93 3d4r n GLY 38 Ca 0.21 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 44.30 3d4r n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d4r n ASN 39 N -2.88 1.84 -2.01 1.61 0.23 -1.26 -5.03 115.26 107.75 3d4r n ASN 39 Ca 0.07 -1.41 -0.00 0.00 -0.53 0.00 0.00 54.58 52.71 3d4r n ASN 39 Cb 0.24 0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3d4r n ASN 39 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d4r n GLY 40 N 1.36 0.35 3.78 4.83 0.00 -1.26 -5.02 105.19 109.23 3d4r n GLY 40 Ca 0.12 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3d4r n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4r s LYS 41 N -2.53 4.17 -0.16 1.61 3.01 -0.42 -4.85 119.74 120.57 3d4r s LYS 41 Ca 0.00 0.54 -0.15 0.00 -1.01 0.00 0.00 55.97 55.35 3d4r s LYS 41 Cb -0.00 -3.31 -0.04 0.00 -1.01 0.00 0.00 37.83 33.46 3d4r s LYS 41 CO 0.00 0.46 0.35 -0.51 0.51 0.00 0.00 175.35 176.16 3d4r s LEU 42 N -0.39 4.23 -0.10 3.17 1.43 -1.26 -0.84 118.68 124.92 3d4r s LEU 42 Ca 0.27 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 3d4r s LEU 42 Cb -0.17 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3d4r s LEU 42 CO 0.14 0.04 -0.05 -0.76 0.23 0.00 0.00 176.35 175.95 3d4r s LEU 43 N 0.69 3.22 -0.08 1.79 1.43 0.45 -3.47 118.68 122.71 3d4r s LEU 43 Ca 0.19 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3d4r s LEU 43 Cb -0.14 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3d4r s LEU 43 CO 0.06 0.30 -0.12 -0.31 0.23 0.00 0.00 176.35 176.51 3d4r s TYR 44 N -0.44 2.80 0.15 0.29 1.51 0.26 -1.45 117.35 120.46 3d4r s TYR 44 Ca 0.07 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 3d4r s TYR 44 Cb -0.12 -1.73 -0.09 0.00 -0.11 0.00 0.00 41.96 39.91 3d4r s TYR 44 CO 0.02 0.08 1.40 -1.14 -1.11 0.00 0.00 175.55 174.80 3d4r s GLN 45 N -0.36 4.32 0.17 -0.62 0.74 -0.30 -0.36 119.66 123.25 3d4r s GLN 45 Ca 0.04 2.12 0.06 0.00 0.05 0.00 0.00 55.36 57.64 3d4r s GLN 45 Cb -0.12 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 3d4r s GLN 45 CO 0.02 -0.41 -0.13 0.14 -0.55 0.00 0.00 175.29 174.36 3d4r s VAL 46 N 0.76 1.49 0.05 1.34 -7.23 -0.82 -4.69 120.40 111.31 3d4r s VAL 46 Ca 0.63 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.39 3d4r s VAL 46 Cb -0.38 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.58 3d4r s VAL 46 CO 0.33 -0.63 1.40 -0.63 -0.31 0.00 0.00 175.10 175.27 3d4r s ILE 47 N -3.00 3.55 -0.01 -0.62 1.01 -1.26 -4.40 121.20 116.46 3d4r s ILE 47 Ca 0.19 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 3d4r s ILE 47 Cb -0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3d4r s ILE 47 CO 0.04 0.03 1.41 -0.47 0.00 0.00 0.00 174.94 175.95 3d4r s TYR 48 N 1.87 2.79 -0.30 3.97 5.04 -1.26 -4.91 117.35 124.55 3d4r s TYR 48 Ca 0.64 0.79 0.20 0.00 -2.44 0.00 0.00 57.07 56.26 3d4r s TYR 48 Cb -0.34 -3.67 0.48 0.00 0.35 0.00 0.00 41.96 38.78 3d4r s TYR 48 CO 0.28 -2.50 1.01 -3.47 -1.34 0.00 0.00 175.55 169.53 3d4r n ASP 49 N 5.56 1.43 -0.18 4.32 2.03 -1.26 -4.76 116.55 123.69 3d4r n ASP 49 Ca 0.13 -2.48 0.00 0.00 0.52 0.00 0.00 54.79 52.96 3d4r n ASP 49 Cb 0.44 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 3d4r n ASP 49 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3d4r n ASP 50 N -0.25 -1.31 0.28 1.67 2.03 -1.26 -4.76 116.55 112.95 3d4r n ASP 50 Ca 0.08 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.56 3d4r n ASP 50 Cb 0.81 -0.06 0.82 0.00 -0.72 0.00 0.00 41.12 41.97 3d4r n ASP 50 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3d4r h LEU 51 N 0.00 0.00 -1.94 -2.67 5.85 -2.00 -2.45 115.31 112.10 3d4r h LEU 51 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3d4r h LEU 51 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3d4r h LEU 51 CO 0.00 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.16 3d4r h ALA 52 N 1.94 1.00 0.00 1.25 0.00 -1.98 -1.70 119.26 119.77 3d4r h ALA 52 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3d4r h ALA 52 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3d4r h ALA 52 CO 0.01 0.00 -0.07 0.87 0.00 0.00 0.00 179.25 180.06 3d4r h LYS 53 N 0.00 0.00 -2.06 0.00 1.79 -1.73 -3.44 116.57 111.13 3d4r h LYS 53 Ca 0.00 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.76 3d4r h LYS 53 Cb 0.09 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 30.41 3d4r h LYS 53 CO 0.00 0.07 0.34 0.66 -1.08 0.00 0.00 179.45 179.44 3d4r n TYR 54 N -4.12 3.24 -3.15 -1.35 4.01 -0.64 -5.06 117.16 110.09 3d4r n TYR 54 Ca -0.03 -2.92 0.04 0.00 -0.16 0.00 0.00 57.90 54.83 3d4r n TYR 54 Cb 0.15 -0.83 -0.01 0.00 -0.31 0.00 0.00 39.34 38.34 3d4r n TYR 54 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d4r s SER 56 N -2.16 -1.26 1.80 7.72 0.15 0.28 0.22 113.70 120.46 3d4r s SER 56 Ca 0.46 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.79 3d4r s SER 56 Cb 0.32 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.64 3d4r s SER 56 CO -0.22 -0.23 0.00 0.18 1.20 0.00 0.00 173.24 174.16 3d4r n LEU 57 N 5.43 0.00 -1.08 3.45 4.77 -1.26 -2.16 117.00 126.14 3d4r n LEU 57 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 3d4r n LEU 57 Cb 0.52 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.87 3d4r n LEU 57 CO -0.01 0.00 0.72 0.47 -1.33 0.00 0.00 177.39 177.24 3d4r n ASP 58 N 8.40 3.60 -4.50 -1.43 10.43 -1.26 -4.94 116.55 126.85 3d4r n ASP 58 Ca 0.00 -2.04 -0.34 0.00 2.57 0.00 0.00 54.79 54.98 3d4r n ASP 58 Cb 0.00 -0.40 -0.12 0.00 1.84 0.00 0.00 41.12 42.44 3d4r n ASP 58 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3d4r s THR 59 N -1.07 3.89 0.28 -3.53 2.01 -0.92 -0.13 115.64 116.17 3d4r s THR 59 Ca 0.39 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 3d4r s THR 59 Cb 0.21 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 69.92 3d4r s THR 59 CO 0.26 0.49 1.26 -0.22 -0.69 0.00 0.00 174.62 175.72 3d4r s LEU 60 N 0.35 4.45 0.00 4.42 2.96 -0.36 -0.55 118.68 129.95 3d4r s LEU 60 Ca -0.04 2.52 0.11 0.00 -0.22 0.00 0.00 54.13 56.50 3d4r s LEU 60 Cb -0.14 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.95 3d4r s LEU 60 CO 0.03 -0.44 0.76 2.29 -1.32 0.00 0.00 176.35 177.66 3d4r n LYS 61 N 1.39 1.45 -4.14 1.98 2.85 0.13 -0.16 118.16 121.67 3d4r n LYS 61 Ca 0.01 -0.87 -0.13 0.00 -1.05 0.00 0.00 58.31 56.28 3d4r n LYS 61 Cb 0.43 -1.16 -0.11 0.00 -0.65 0.00 0.00 35.03 33.54 3d4r n LYS 61 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3d4r s LYS 62 N -1.27 0.75 0.20 -1.58 -0.14 -1.25 -4.84 119.74 111.61 3d4r s LYS 62 Ca 0.11 -1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 53.32 3d4r s LYS 62 Cb 0.09 -0.36 -0.08 0.00 -1.68 0.00 0.00 37.83 35.80 3d4r s LYS 62 CO 0.23 0.04 1.13 -0.51 -0.76 0.00 0.00 175.35 175.47 3d4r s ASP 63 N -2.39 7.22 -0.01 2.83 1.01 -1.26 -3.62 116.67 120.45 3d4r s ASP 63 Ca 0.03 2.17 0.01 0.00 0.71 0.00 0.00 52.55 55.46 3d4r s ASP 63 Cb -0.02 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3d4r s ASP 63 CO -0.01 -0.25 -0.02 -0.69 0.21 0.00 0.00 175.17 174.41 3d4r s VAL 64 N -0.38 0.17 -0.09 -1.27 1.01 -0.36 -0.76 120.40 118.72 3d4r s VAL 64 Ca 0.49 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3d4r s VAL 64 Cb -0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 3d4r s VAL 64 CO 0.37 0.06 -0.23 -0.22 0.00 0.00 0.00 175.10 175.08 3d4r s LEU 65 N 0.11 2.15 -0.21 3.92 0.20 -0.18 -0.85 118.68 123.81 3d4r s LEU 65 Ca -0.01 -0.52 -0.05 0.00 0.69 0.00 0.00 54.13 54.24 3d4r s LEU 65 Cb -0.03 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.29 3d4r s LEU 65 CO -0.00 0.19 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.61 3d4r s ILE 66 N 0.18 3.80 -0.29 6.68 -1.09 0.06 -1.10 121.20 129.44 3d4r s ILE 66 Ca -0.14 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3d4r s ILE 66 Cb -0.17 -2.73 0.04 0.00 -1.58 0.00 0.00 42.46 38.03 3d4r s ILE 66 CO 0.07 0.41 -0.01 -1.58 -1.23 0.00 0.00 174.94 172.61 3d4r s GLN 67 N 1.24 2.58 0.61 2.79 0.74 -0.36 -0.88 119.66 126.38 3d4r s GLN 67 Ca 0.03 -1.16 -0.17 0.00 0.05 0.00 0.00 55.36 54.11 3d4r s GLN 67 Cb -0.15 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 3d4r s GLN 67 CO 0.01 -0.55 1.11 0.71 -0.55 0.00 0.00 175.29 176.02 3d4r s TYR 68 N 1.29 2.66 0.57 1.67 2.02 -0.83 -0.79 117.35 123.94 3d4r s TYR 68 Ca -0.03 1.55 0.37 0.00 -0.37 0.00 0.00 57.07 58.58 3d4r s TYR 68 Cb -0.19 -3.20 1.99 0.00 -0.40 0.00 0.00 41.96 40.16 3d4r s TYR 68 CO -0.02 -1.61 2.12 -1.35 -1.57 0.00 0.00 175.55 173.12 3d4r h PRO 69 N 0.49 0.00 0.00 -1.71 0.11 -1.90 -2.85 132.00 126.14 3d4r h PRO 69 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d4r h PRO 69 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3d4r h PRO 69 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3d4r n ASP 70 N -2.90 0.00 -1.30 -2.05 5.75 -1.26 -4.85 116.55 109.93 3d4r n ASP 70 Ca -0.02 -0.04 -0.15 0.00 -0.01 0.00 0.00 54.79 54.56 3d4r n ASP 70 Cb 0.18 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 3d4r n ASP 70 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3d4r n LYS 71 N -1.22 -1.10 0.00 0.11 4.01 -1.08 -4.79 118.16 114.10 3d4r n LYS 71 Ca 0.08 0.97 0.00 0.00 -0.51 0.00 0.00 58.31 58.85 3d4r n LYS 71 Cb 0.10 -5.17 0.00 0.00 -0.51 0.00 0.00 35.03 29.45 3d4r n LYS 71 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3d4r n HIS 72 N -2.89 0.00 -4.45 2.13 8.25 -1.26 -5.12 115.22 111.89 3d4r n HIS 72 Ca -0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 3d4r n HIS 72 Cb 0.53 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 3d4r n HIS 72 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d4r s THR 73 N -0.92 3.63 0.09 1.59 2.01 -1.26 -5.08 115.64 115.70 3d4r s THR 73 Ca 0.00 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 3d4r s THR 73 Cb 0.00 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.94 3d4r s THR 73 CO 0.00 0.38 0.30 -1.48 -0.69 0.00 0.00 174.62 173.12 3d4r s LEU 74 N -1.46 0.91 -0.08 4.42 0.05 -1.26 -1.97 118.68 119.28 3d4r s LEU 74 Ca 0.17 -0.39 0.02 0.00 0.05 0.00 0.00 54.13 53.98 3d4r s LEU 74 Cb -0.11 1.41 0.02 0.00 -2.05 0.00 0.00 46.19 45.45 3d4r s LEU 74 CO 0.08 -0.73 -0.12 -0.89 -0.55 0.00 0.00 176.35 174.14 3d4r s THR 75 N -3.41 1.17 -0.22 5.48 2.01 -0.06 -4.99 115.64 115.62 3d4r s THR 75 Ca 0.01 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 3d4r s THR 75 Cb 0.02 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3d4r s THR 75 CO -0.09 0.37 0.00 -0.47 -0.69 0.00 0.00 174.62 173.75 3d4r s TYR 76 N 0.94 3.02 -0.28 4.92 5.04 -1.26 -0.76 117.35 128.96 3d4r s TYR 76 Ca -0.09 -0.65 0.02 0.00 -2.44 0.00 0.00 57.07 53.92 3d4r s TYR 76 Cb -0.15 -2.14 0.08 0.00 0.35 0.00 0.00 41.96 40.10 3d4r s TYR 76 CO 0.00 -0.41 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.27 3d4r s LEU 77 N 1.40 3.52 0.60 6.97 1.43 -0.03 -5.03 118.68 127.53 3d4r s LEU 77 Ca 0.05 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.38 3d4r s LEU 77 Cb -0.15 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3d4r s LEU 77 CO 0.00 -0.28 1.11 -1.59 0.23 0.00 0.00 176.35 175.82 3d4r s LYS 78 N 1.16 3.10 0.26 1.70 -2.85 -1.26 -1.22 119.74 120.63 3d4r s LYS 78 Ca -0.00 1.46 -0.30 0.00 -1.00 0.00 0.00 55.97 56.13 3d4r s LYS 78 Cb -0.19 -1.98 -0.14 0.00 -2.06 0.00 0.00 37.83 33.46 3d4r s LYS 78 CO -0.08 -1.03 1.25 0.00 0.10 0.00 0.00 175.35 175.59 3d4r n ALA 79 N -1.90 0.53 0.00 0.59 0.00 -1.24 -1.86 120.51 116.64 3d4r n ALA 79 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3d4r n ALA 79 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3d4r n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d4r n GLY 80 N 1.60 0.27 3.71 0.00 0.00 0.78 -4.96 105.19 106.58 3d4r n GLY 80 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3d4r n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4r s THR 81 N -2.08 3.28 -0.08 2.61 2.01 -0.77 -4.72 115.64 115.89 3d4r s THR 81 Ca 0.00 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.57 3d4r s THR 81 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 3d4r s THR 81 CO 0.00 0.04 0.95 -0.54 -0.69 0.00 0.00 174.62 174.38 3d4r s LYS 82 N 1.56 4.45 0.34 4.92 1.02 -1.26 -1.22 119.74 129.55 3d4r s LYS 82 Ca 0.66 1.30 0.09 0.00 0.02 0.00 0.00 55.97 58.04 3d4r s LYS 82 Cb -0.37 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.37 3d4r s LYS 82 CO 0.30 -0.20 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.00 3d4r s LEU 83 N 1.63 2.92 -0.12 3.17 1.43 0.82 -4.71 118.68 123.81 3d4r s LEU 83 Ca 0.47 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3d4r s LEU 83 Cb -0.19 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3d4r s LEU 83 CO 0.20 -0.24 -0.10 -0.63 0.23 0.00 0.00 176.35 175.81 3d4r s ILE 84 N -2.55 3.37 -0.18 -0.59 1.01 -1.26 -4.77 121.20 116.23 3d4r s ILE 84 Ca 0.34 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3d4r s ILE 84 Cb 0.01 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3d4r s ILE 84 CO 0.19 0.53 -0.02 -0.44 0.00 0.00 0.00 174.94 175.19 3d4r s SER 85 N 0.13 4.78 -0.32 3.58 0.01 -1.26 -4.29 113.70 116.33 3d4r s SER 85 Ca -0.05 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.08 3d4r s SER 85 Cb -0.14 -1.80 0.09 0.00 0.21 0.00 0.00 66.02 64.38 3d4r s SER 85 CO 0.04 0.12 0.01 -0.69 0.41 0.00 0.00 173.24 173.13 3d4r s VAL 86 N 0.67 2.15 0.44 3.43 1.01 -0.35 -4.97 120.40 122.79 3d4r s VAL 86 Ca -0.01 -2.10 -0.22 0.00 0.00 0.00 0.00 61.98 59.64 3d4r s VAL 86 Cb -0.14 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 3d4r s VAL 86 CO 0.02 -0.46 1.06 -2.16 0.00 0.00 0.00 175.10 173.57 3d4r s PRO 87 N 1.00 3.96 -0.35 2.72 0.04 -1.26 -1.51 135.00 139.61 3d4r s PRO 87 Ca 0.06 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.61 3d4r s PRO 87 Cb -0.19 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 32.10 3d4r s PRO 87 CO -0.08 -0.32 0.11 0.00 0.04 0.00 0.00 177.00 176.75 3d4r s ALA 88 N -1.75 2.03 -0.07 8.56 0.00 0.03 -4.97 121.76 125.59 3d4r s ALA 88 Ca 0.62 -2.09 0.05 0.00 0.00 0.00 0.00 51.96 50.54 3d4r s ALA 88 Cb -0.21 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 3d4r s ALA 88 CO 0.26 -1.75 -0.23 -1.21 0.00 0.00 0.00 175.76 172.82 3d4r s GLU 89 N 1.17 2.54 -0.09 0.00 2.02 -1.26 -1.49 118.70 121.59 3d4r s GLU 89 Ca 0.12 -0.85 -0.32 0.00 0.02 0.00 0.00 54.97 53.94 3d4r s GLU 89 Cb -0.19 -2.09 0.13 0.00 0.10 0.00 0.00 34.13 32.08 3d4r s GLU 89 CO -0.16 0.31 1.41 0.20 0.02 0.00 0.00 175.26 177.04 3d4r s GLY 90 N 0.00 -0.42 0.18 -1.39 0.00 -1.26 -4.99 107.32 99.44 3d4r s GLY 90 Ca -0.08 0.72 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 3d4r s GLY 90 CO 0.05 1.99 1.66 -1.82 0.00 0.00 0.00 173.10 174.98 3d4r h TYR 91 N 2.00 -0.21 -3.94 1.90 3.20 -1.92 -3.41 116.97 114.59 3d4r h TYR 91 Ca -0.30 0.04 -0.41 0.00 3.14 0.00 0.00 58.73 61.20 3d4r h TYR 91 Cb 1.19 0.16 -0.30 0.00 1.54 0.00 0.00 36.73 39.32 3d4r h TYR 91 CO 0.61 -0.18 -0.78 0.15 -1.64 0.00 0.00 178.16 176.31 3d4r s LYS 92 N -6.21 0.85 -0.07 1.82 1.02 -0.69 -5.01 119.74 111.45 3d4r s LYS 92 Ca -0.14 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.56 3d4r s LYS 92 Cb 0.15 -0.81 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 3d4r s LYS 92 CO 0.71 0.16 -0.16 0.08 -0.92 0.00 0.00 175.35 175.22 3d4r s VAL 93 N -0.02 1.42 -0.53 3.17 1.01 -1.26 -0.94 120.40 123.24 3d4r s VAL 93 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3d4r s VAL 93 Cb -0.06 -1.26 0.13 0.00 0.00 0.00 0.00 36.38 35.20 3d4r s VAL 93 CO -0.00 0.42 0.29 -0.31 0.00 0.00 0.00 175.10 175.49 3d4r s TYR 94 N 0.47 3.25 0.32 5.22 2.02 -0.19 -5.01 117.35 123.44 3d4r s TYR 94 Ca -0.14 -3.08 -0.01 0.00 -0.37 0.00 0.00 57.07 53.47 3d4r s TYR 94 Cb -0.16 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.46 3d4r s TYR 94 CO 0.05 -0.77 0.55 -1.25 -1.57 0.00 0.00 175.55 172.55 3d4r s PRO 95 N -0.19 3.53 0.00 -1.71 0.04 -1.26 -1.68 135.00 133.73 3d4r s PRO 95 Ca 0.17 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.00 3d4r s PRO 95 Cb -0.24 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.63 3d4r s PRO 95 CO -0.01 0.18 0.00 -0.89 0.04 0.00 0.00 177.00 176.31 3d4r n ILE 96 N -1.45 0.00 0.00 0.56 5.41 0.25 -4.96 119.36 119.18 3d4r n ILE 96 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3d4r n ILE 96 Cb 0.55 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 3d4r n ILE 96 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3d4r n ASP 98 N 0.00 0.00 -3.81 4.38 -0.08 -1.26 -5.04 116.55 110.74 3d4r n ASP 98 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 3d4r n ASP 98 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 3d4r n ASP 98 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3d4r s PHE 99 N -1.93 -0.15 -0.67 -0.67 0.40 -1.26 -4.86 117.98 108.84 3d4r s PHE 99 Ca 0.00 0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.64 3d4r s PHE 99 Cb 0.00 0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.58 3d4r s PHE 99 CO 0.00 -0.22 0.58 0.41 0.70 0.00 0.00 175.22 176.69 3d4r n GLY 100 N 2.22 0.11 3.26 4.36 0.00 0.34 -4.98 105.19 110.51 3d4r n GLY 100 Ca -0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3d4r n GLY 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d4r s PHE 101 N -3.18 2.08 0.33 1.61 -0.12 -1.06 -4.92 117.98 112.72 3d4r s PHE 101 Ca 0.17 -0.39 -0.22 0.00 -0.05 0.00 0.00 56.93 56.44 3d4r s PHE 101 Cb -0.08 -1.34 -0.10 0.00 -0.63 0.00 0.00 43.02 40.88 3d4r s PHE 101 CO 0.38 -0.03 0.87 0.50 -0.05 0.00 0.00 175.22 176.89 3d4r s ARG 102 N -0.56 4.34 0.07 1.99 3.52 -1.26 -0.69 118.95 126.35 3d4r s ARG 102 Ca 0.09 1.08 -0.06 0.00 -0.13 0.00 0.00 55.73 56.71 3d4r s ARG 102 Cb -0.09 -2.61 -0.01 0.00 -1.56 0.00 0.00 34.95 30.67 3d4r s ARG 102 CO -0.01 0.21 0.12 0.14 -0.81 0.00 0.00 175.30 174.95 3d4r s VAL 103 N -1.79 0.16 0.18 7.11 -7.23 -0.55 -4.95 120.40 113.33 3d4r s VAL 103 Ca 0.52 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 59.41 3d4r s VAL 103 Cb -0.15 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3d4r s VAL 103 CO 0.20 -0.74 0.11 -0.76 -0.31 0.00 0.00 175.10 173.59 3d4r s LEU 104 N -2.76 3.68 0.07 1.32 1.43 -1.26 -1.74 118.68 119.41 3d4r s LEU 104 Ca 0.04 -0.21 -0.36 0.00 -1.03 0.00 0.00 54.13 52.57 3d4r s LEU 104 Cb 0.05 -2.29 -0.16 0.00 0.03 0.00 0.00 46.19 43.82 3d4r s LEU 104 CO -0.10 0.06 1.42 1.17 0.23 0.00 0.00 176.35 179.14 3d4r n LYS 105 N -0.38 1.35 0.00 1.70 4.81 -1.17 -1.56 118.16 122.91 3d4r n LYS 105 Ca -0.08 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3d4r n LYS 105 Cb 0.55 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.44 3d4r n LYS 105 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3d4r n GLY 106 N 2.83 2.10 3.68 3.14 0.00 0.58 -4.96 105.19 112.57 3d4r n GLY 106 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3d4r n GLY 106 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d4r n TYR 107 N -1.80 2.30 -2.50 1.61 4.19 -0.60 -4.46 117.16 115.89 3d4r n TYR 107 Ca 0.00 0.37 -0.43 0.00 3.31 0.00 0.00 57.90 61.15 3d4r n TYR 107 Cb 0.00 -2.50 -0.02 0.00 0.49 0.00 0.00 39.34 37.31 3d4r n TYR 107 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3d4r s ARG 108 N -0.12 4.24 -0.13 2.98 3.52 -1.26 0.34 118.95 128.52 3d4r s ARG 108 Ca 0.70 1.57 0.19 0.00 -0.13 0.00 0.00 55.73 58.05 3d4r s ARG 108 Cb -0.63 -3.72 -0.26 0.00 -1.56 0.00 0.00 34.95 28.78 3d4r s ARG 108 CO 0.47 -0.68 0.25 1.28 -0.81 0.00 0.00 175.30 175.81 3d4r n LEU 109 N 6.50 0.11 -3.54 -0.88 4.77 0.58 -4.91 117.00 119.63 3d4r n LEU 109 Ca 0.13 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 3d4r n LEU 109 Cb 0.45 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.82 3d4r n LEU 109 CO 0.55 0.35 0.37 0.00 -1.33 0.00 0.00 177.39 177.33 3d4r s ALA 110 N -2.77 -1.59 -0.12 -1.18 0.00 -1.00 -0.58 121.76 114.53 3d4r s ALA 110 Ca -0.09 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 3d4r s ALA 110 Cb 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3d4r s ALA 110 CO 0.85 -0.43 -0.02 0.99 0.00 0.00 0.00 175.76 177.14 3d4r s THR 111 N -1.73 4.07 -0.12 0.00 2.01 -0.67 -1.01 115.64 118.18 3d4r s THR 111 Ca -0.09 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.59 3d4r s THR 111 Cb -0.01 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 3d4r s THR 111 CO 0.05 0.55 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.65 3d4r s LEU 112 N -0.29 2.83 -0.11 4.42 1.43 0.97 -1.02 118.68 126.91 3d4r s LEU 112 Ca 0.05 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3d4r s LEU 112 Cb -0.12 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3d4r s LEU 112 CO 0.02 0.21 -0.20 -0.70 0.23 0.00 0.00 176.35 175.92 3d4r s GLU 113 N 0.08 3.15 0.77 1.70 2.12 -0.12 -1.13 118.70 125.27 3d4r s GLU 113 Ca -0.05 -0.80 -0.08 0.00 0.36 0.00 0.00 54.97 54.40 3d4r s GLU 113 Cb -0.14 -2.43 0.10 0.00 0.26 0.00 0.00 34.13 31.92 3d4r s GLU 113 CO 0.04 0.21 1.09 -1.54 -0.54 0.00 0.00 175.26 174.53 3d4r s SER 114 N 0.30 4.42 0.47 -1.70 1.04 0.43 -1.70 113.70 116.96 3d4r s SER 114 Ca -0.15 0.38 0.19 0.00 0.48 0.00 0.00 55.95 56.86 3d4r s SER 114 Cb -0.17 -0.87 1.19 0.00 0.10 0.00 0.00 66.02 66.26 3d4r s SER 114 CO 0.07 -1.87 1.98 0.50 0.98 0.00 0.00 173.24 174.90 3d4r h LYS 115 N -0.85 0.23 -0.60 4.02 3.64 -1.96 -0.37 116.57 120.69 3d4r h LYS 115 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3d4r h LYS 115 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3d4r h LYS 115 CO 0.55 0.15 0.00 1.63 -2.27 0.00 0.00 179.45 179.51 3d4r n LYS 116 N -4.44 3.44 -0.69 1.90 4.01 -1.26 -4.96 118.16 116.16 3d4r n LYS 116 Ca 0.10 -2.76 0.00 0.00 -0.51 0.00 0.00 58.31 55.14 3d4r n LYS 116 Cb 0.48 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3d4r n LYS 116 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3d4r n GLY 117 N 1.01 0.65 3.74 0.72 0.00 -0.15 -5.05 105.19 106.11 3d4r n GLY 117 Ca 0.24 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3d4r n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d4r s ASP 118 N -2.08 7.25 -0.13 1.61 1.01 -1.26 -4.72 116.67 118.35 3d4r s ASP 118 Ca 0.00 2.15 -0.03 0.00 0.71 0.00 0.00 52.55 55.38 3d4r s ASP 118 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3d4r s ASP 118 CO 0.00 -0.22 -0.02 -0.76 0.21 0.00 0.00 175.17 174.38 3d4r s LEU 119 N -0.60 3.38 0.26 1.23 1.43 -1.26 -0.43 118.68 122.69 3d4r s LEU 119 Ca 0.49 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 3d4r s LEU 119 Cb -0.30 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3d4r s LEU 119 CO 0.36 0.24 -0.01 -0.13 0.23 0.00 0.00 176.35 177.05 3d4r s ARG 120 N -0.05 1.44 0.10 1.70 0.52 -0.28 -4.96 118.95 117.40 3d4r s ARG 120 Ca 0.02 -1.74 0.07 0.00 -0.52 0.00 0.00 55.73 53.56 3d4r s ARG 120 Cb -0.13 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 3d4r s ARG 120 CO 0.02 -0.08 -0.17 0.71 0.02 0.00 0.00 175.30 175.80 3d4r s TYR 121 N -3.31 1.51 -0.25 -0.53 2.02 -1.26 -0.02 117.35 115.52 3d4r s TYR 121 Ca 0.30 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.51 3d4r s TYR 121 Cb 0.06 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.80 3d4r s TYR 121 CO 0.11 0.15 -0.03 0.08 -1.57 0.00 0.00 175.55 174.29 3d4r s VAL 122 N -1.38 3.29 0.15 0.71 1.01 -0.18 -4.96 120.40 119.04 3d4r s VAL 122 Ca 0.04 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.36 3d4r s VAL 122 Cb -0.09 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3d4r s VAL 122 CO 0.03 0.27 -0.07 0.20 0.00 0.00 0.00 175.10 175.54 3d4r s ASN 123 N 1.42 4.48 0.14 3.32 0.01 -1.26 -0.31 114.94 122.75 3d4r s ASN 123 Ca 0.03 -0.44 -0.31 0.00 -0.71 0.00 0.00 52.86 51.43 3d4r s ASN 123 Cb -0.16 -0.87 -0.10 0.00 0.41 0.00 0.00 41.25 40.53 3d4r s ASN 123 CO -0.03 0.13 1.72 -0.55 -1.51 0.00 0.00 177.10 176.86 3d4r s SER 124 N -2.62 6.47 0.21 -1.22 0.15 0.15 -4.83 113.70 112.02 3d4r s SER 124 Ca 0.24 2.72 0.25 0.00 0.70 0.00 0.00 55.95 59.86 3d4r s SER 124 Cb -0.10 -2.58 0.90 0.00 -1.71 0.00 0.00 66.02 62.53 3d4r s SER 124 CO 0.16 -0.94 1.75 -0.81 1.20 0.00 0.00 173.24 174.59 3d4r n PRO 125 N 4.89 0.21 -4.08 5.44 -0.04 -1.26 -0.30 135.00 139.86 3d4r n PRO 125 Ca 0.16 0.29 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 3d4r n PRO 125 Cb 0.38 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 3d4r n PRO 125 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d4r s VAL 126 N -3.18 0.00 -0.00 0.52 -7.23 -1.26 -4.84 120.40 104.41 3d4r s VAL 126 Ca 0.08 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.42 3d4r s VAL 126 Cb 0.11 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 3d4r s VAL 126 CO 0.50 -0.01 0.48 -0.44 -0.31 0.00 0.00 175.10 175.31 3d4r s SER 127 N -3.08 6.87 0.00 4.85 0.01 -1.26 -3.06 113.70 118.04 3d4r s SER 127 Ca 0.29 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.59 3d4r s SER 127 Cb 0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.96 3d4r s SER 127 CO 0.10 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.60 3d4r n GLY 128 N 2.10 -0.50 3.33 3.44 0.00 -0.71 -1.62 105.19 111.22 3d4r n GLY 128 Ca -0.11 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 3d4r n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4r s THR 129 N -3.78 2.69 -0.35 2.61 2.01 -0.42 -1.49 115.64 116.92 3d4r s THR 129 Ca 0.00 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 3d4r s THR 129 Cb 0.00 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.43 3d4r s THR 129 CO 0.00 0.54 0.91 -0.69 -0.69 0.00 0.00 174.62 174.69 3d4r s VAL 130 N 0.19 4.63 -0.09 3.82 1.01 0.13 -1.30 120.40 128.81 3d4r s VAL 130 Ca -0.10 1.26 0.12 0.00 0.00 0.00 0.00 61.98 63.25 3d4r s VAL 130 Cb -0.16 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 3d4r s VAL 130 CO 0.06 -0.45 0.49 2.30 0.00 0.00 0.00 175.10 177.50 3d4r n ILE 131 N 5.84 1.58 -3.31 2.22 -5.35 0.62 -0.50 119.36 120.46 3d4r n ILE 131 Ca 0.07 -0.79 -0.03 0.00 -0.27 0.00 0.00 62.75 61.72 3d4r n ILE 131 Cb 0.48 -0.99 0.01 0.00 -1.74 0.00 0.00 39.64 37.40 3d4r n ILE 131 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 3d4r n PHE 132 N -3.03 -1.45 0.00 4.28 -0.00 -1.11 -4.06 117.46 112.09 3d4r n PHE 132 Ca -0.22 -0.68 0.00 0.00 -0.00 0.00 0.00 57.45 56.55 3d4r n PHE 132 Cb 1.07 0.33 0.00 0.00 -0.00 0.00 0.00 39.48 40.88 3d4r n PHE 132 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3d4r n ASN 134 N -1.24 0.00 -4.76 -2.13 6.94 -0.76 -0.05 115.26 113.27 3d4r n ASN 134 Ca -0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.16 3d4r n ASN 134 Cb 0.21 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.66 3d4r n ASN 134 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3d4r s GLU 135 N -2.00 3.19 -0.20 -3.83 2.02 -1.26 -1.21 118.70 115.41 3d4r s GLU 135 Ca 0.00 1.94 -0.28 0.00 0.02 0.00 0.00 54.97 56.65 3d4r s GLU 135 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.10 3d4r s GLU 135 CO 0.00 -1.06 0.98 0.42 0.02 0.00 0.00 175.26 175.62 3d4r s ILE 136 N -1.49 4.74 0.29 -1.63 1.01 -0.39 -4.83 121.20 118.90 3d4r s ILE 136 Ca 0.73 1.92 0.03 0.00 0.00 0.00 0.00 60.65 63.33 3d4r s ILE 136 Cb -0.33 -4.26 0.28 0.00 0.01 0.00 0.00 42.46 38.15 3d4r s ILE 136 CO 0.38 -0.11 1.78 -0.65 0.00 0.00 0.00 174.94 176.34 3d4r h PRO 137 N 7.41 0.75 0.00 2.79 0.11 -1.93 -1.49 132.00 139.63 3d4r h PRO 137 Ca -0.23 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3d4r h PRO 137 Cb 1.09 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3d4r h PRO 137 CO 0.93 0.49 -0.05 0.66 -0.21 0.00 0.00 178.00 179.82 3d4r h SER 138 N 0.77 0.00 -1.43 -2.05 4.64 -1.99 -3.38 113.55 110.11 3d4r h SER 138 Ca 0.53 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.67 3d4r h SER 138 Cb 0.75 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.59 3d4r h SER 138 CO -0.36 0.05 -0.54 -0.70 -0.87 0.00 0.00 176.83 174.42 3d4r s GLU 139 N -3.53 0.69 0.66 4.77 2.12 -0.59 -5.04 118.70 117.78 3d4r s GLU 139 Ca 0.03 -0.39 0.43 0.00 0.36 0.00 0.00 54.97 55.39 3d4r s GLU 139 Cb 0.08 -0.24 2.36 0.00 0.26 0.00 0.00 34.13 36.59 3d4r s GLU 139 CO 0.60 -1.17 2.35 0.00 -0.54 0.00 0.00 175.26 176.50 3d4r h ARG 140 N 7.21 0.00 -0.05 4.30 3.08 -1.69 -1.12 114.38 126.12 3d4r h ARG 140 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3d4r h ARG 140 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3d4r h ARG 140 CO 0.16 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 178.94 3d4r h ALA 141 N 1.98 1.72 -2.32 0.04 0.00 -1.94 -3.42 119.26 115.32 3d4r h ALA 141 Ca 0.00 -0.14 -0.49 0.00 0.00 0.00 0.00 54.91 54.28 3d4r h ALA 141 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d4r h ALA 141 CO -0.00 0.21 -0.31 -0.80 0.00 0.00 0.00 179.25 178.35 3d4r s ASN 142 N -6.98 6.33 0.21 0.00 0.01 -0.42 -4.15 114.94 109.93 3d4r s ASN 142 Ca -0.05 0.32 0.04 0.00 -0.71 0.00 0.00 52.86 52.46 3d4r s ASN 142 Cb 0.16 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.80 3d4r s ASN 142 CO 0.70 -0.14 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.81 3d4r s TYR 143 N -2.07 1.46 -0.01 2.20 1.51 -0.56 -1.26 117.35 118.63 3d4r s TYR 143 Ca 0.38 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 3d4r s TYR 143 Cb -0.10 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 3d4r s TYR 143 CO 0.32 -0.03 0.02 0.54 -1.11 0.00 0.00 175.55 175.29 3d4r s VAL 144 N -3.42 -0.00 -0.08 0.71 0.11 -0.35 -0.79 120.40 116.58 3d4r s VAL 144 Ca 0.25 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3d4r s VAL 144 Cb 0.05 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.83 3d4r s VAL 144 CO 0.06 0.01 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.43 3d4r s PHE 145 N 0.10 3.00 0.35 1.54 0.40 -0.57 -1.83 117.98 120.98 3d4r s PHE 145 Ca -0.01 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 3d4r s PHE 145 Cb -0.01 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 3d4r s PHE 145 CO -0.00 0.34 0.13 0.71 0.70 0.00 0.00 175.22 177.10 3d4r s TYR 146 N -0.74 2.68 -0.14 0.36 2.02 0.93 -1.21 117.35 121.25 3d4r s TYR 146 Ca 0.11 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3d4r s TYR 146 Cb -0.11 -1.65 0.07 0.00 -0.40 0.00 0.00 41.96 39.86 3d4r s TYR 146 CO 0.02 0.34 0.22 -1.17 -1.57 0.00 0.00 175.55 173.39 3d4r s LEU 148 N -3.84 -0.19 0.36 -1.29 2.96 -0.42 -0.28 118.68 115.98 3d4r s LEU 148 Ca 0.38 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 54.32 3d4r s LEU 148 Cb -0.02 0.50 -0.09 0.00 0.50 0.00 0.00 46.19 47.08 3d4r s LEU 148 CO 0.22 -0.26 1.17 -0.70 -1.32 0.00 0.00 176.35 175.46 3d4r s GLU 149 N 2.36 4.27 0.00 1.98 2.12 -1.26 -1.30 118.70 126.88 3d4r s GLU 149 Ca 0.03 1.89 0.19 0.00 0.36 0.00 0.00 54.97 57.44 3d4r s GLU 149 Cb -0.13 -2.88 0.15 0.00 0.26 0.00 0.00 34.13 31.53 3d4r s GLU 149 CO -0.09 -0.15 1.11 -0.85 -0.54 0.00 0.00 175.26 174.75