#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4r n GLN -1 N 0.00 0.50 0.00 -4.13 3.00 -1.26 -5.18 117.38 110.31 3d4r n GLN -1 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3d4r n GLN -1 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 30.24 28.51 3d4r n GLN -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3d4r n GLY 0 N 1.76 0.39 3.82 1.08 0.00 -1.26 -5.06 105.19 105.92 3d4r n GLY 0 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3d4r n GLY 0 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4r s LYS 2 N 0.73 4.21 0.17 1.61 2.20 -1.26 -5.05 119.74 122.35 3d4r s LYS 2 Ca 0.00 0.79 -0.32 0.00 -0.36 0.00 0.00 55.97 56.08 3d4r s LYS 2 Cb 0.00 -2.96 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 3d4r s LYS 2 CO 0.00 0.45 1.61 -1.50 -0.36 0.00 0.00 175.35 175.55 3d4r s ILE 3 N -1.44 2.51 0.70 5.43 2.07 -1.26 -4.72 121.20 124.49 3d4r s ILE 3 Ca 0.40 0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 59.83 3d4r s ILE 3 Cb -0.17 -3.22 0.02 0.00 0.13 0.00 0.00 42.46 39.22 3d4r s ILE 3 CO 0.21 0.03 1.18 -2.84 -1.91 0.00 0.00 174.94 171.60 3d4r s PRO 4 N 1.21 2.40 -0.26 3.50 0.02 -1.26 -4.67 135.00 135.94 3d4r s PRO 4 Ca 0.71 1.66 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 3d4r s PRO 4 Cb -0.45 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.15 3d4r s PRO 4 CO 0.31 -1.61 0.15 0.15 -0.33 0.00 0.00 177.00 175.67 3d4r s LYS 5 N -3.91 3.89 -0.15 5.54 3.01 -0.06 -4.90 119.74 123.16 3d4r s LYS 5 Ca 0.72 -0.36 -0.03 0.00 -1.01 0.00 0.00 55.97 55.29 3d4r s LYS 5 Cb -0.27 -3.53 -0.03 0.00 -1.01 0.00 0.00 37.83 33.00 3d4r s LYS 5 CO 0.43 -0.12 -0.04 0.42 0.51 0.00 0.00 175.35 176.55 3d4r s ILE 6 N 1.54 3.91 -0.07 2.17 1.01 -1.26 -0.74 121.20 127.75 3d4r s ILE 6 Ca 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.41 3d4r s ILE 6 Cb -0.15 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 3d4r s ILE 6 CO 0.08 0.51 -0.22 -0.31 0.00 0.00 0.00 174.94 174.99 3d4r s TYR 7 N 0.21 2.30 0.01 3.97 1.51 -0.03 -1.36 117.35 123.96 3d4r s TYR 7 Ca -0.02 -0.81 0.05 0.00 -1.01 0.00 0.00 57.07 55.28 3d4r s TYR 7 Cb -0.14 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3d4r s TYR 7 CO 0.03 -0.30 -0.15 0.08 -1.11 0.00 0.00 175.55 174.10 3d4r s VAL 8 N 0.14 1.19 0.59 0.71 1.01 -0.38 -1.12 120.40 122.54 3d4r s VAL 8 Ca -0.11 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 3d4r s VAL 8 Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3d4r s VAL 8 CO 0.06 0.20 1.14 -1.83 0.00 0.00 0.00 175.10 174.67 3d4r s GLU 9 N -0.71 3.10 0.00 2.72 -1.05 -0.61 -1.24 118.70 120.90 3d4r s GLU 9 Ca 0.04 1.60 0.00 0.00 -0.15 0.00 0.00 54.97 56.47 3d4r s GLU 9 Cb -0.07 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 3d4r s GLU 9 CO 0.00 -1.05 0.00 0.41 0.95 0.00 0.00 175.26 175.57 3d4r n GLY 10 N 0.07 2.99 2.18 -3.83 0.00 -1.26 -4.89 105.19 100.45 3d4r n GLY 10 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 2.80 -1.53 1.61 -0.58 -1.24 -4.93 120.64 114.77 3d4r n GLU 11 Ca 0.00 -1.68 -0.39 0.00 -0.42 0.00 0.00 57.16 54.68 3d4r n GLU 11 Cb 0.00 -2.34 -0.08 0.00 -0.57 0.00 0.00 31.44 28.46 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 2.72 1.58 0.00 -4.62 4.77 -1.26 -4.72 117.00 115.47 3d4r n LEU 12 Ca 0.58 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3d4r n LEU 12 Cb 0.60 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 3d4r n LEU 12 CO 0.43 -1.22 0.00 -0.46 -1.33 0.00 0.00 177.39 174.82 3d4r n ASN 13 N 13.62 0.80 -0.96 -1.43 0.23 -1.26 -5.06 115.26 121.20 3d4r n ASN 13 Ca 0.48 -0.79 0.09 0.00 -0.53 0.00 0.00 54.58 53.83 3d4r n ASN 13 Cb 0.34 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.29 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 -1.73 2.80 -3.53 0.53 5.68 -1.26 -4.98 116.55 114.06 3d4r n ASP 14 Ca 0.00 -1.96 -0.23 0.00 -0.50 0.00 0.00 54.79 52.09 3d4r n ASP 14 Cb 0.00 -0.32 0.16 0.00 -1.14 0.00 0.00 41.12 39.83 3d4r n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d4r n GLY 15 N 1.35 -1.39 3.77 6.12 0.00 -1.26 -5.03 105.19 108.74 3d4r n GLY 15 Ca 0.18 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.88 5.99 0.16 1.61 1.01 -1.26 -4.69 116.67 114.61 3d4r s ASP 16 Ca 0.60 2.42 0.09 0.00 0.71 0.00 0.00 52.55 56.38 3d4r s ASP 16 Cb -0.02 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3d4r s ASP 16 CO 0.42 -1.05 -0.21 -0.13 0.21 0.00 0.00 175.17 174.41 3d4r s ARG 17 N -2.71 1.32 -0.02 8.23 0.52 -1.25 -0.17 118.95 124.87 3d4r s ARG 17 Ca 0.65 -1.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3d4r s ARG 17 Cb -0.32 -1.53 -0.00 0.00 0.52 0.00 0.00 34.95 33.62 3d4r s ARG 17 CO 0.38 0.33 -0.12 0.54 0.02 0.00 0.00 175.30 176.45 3d4r s VAL 18 N -1.69 0.99 -0.14 3.52 0.11 -0.29 -1.52 120.40 121.39 3d4r s VAL 18 Ca 0.15 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 3d4r s VAL 18 Cb -0.08 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3d4r s VAL 18 CO 0.07 0.29 0.05 0.00 -3.33 0.00 0.00 175.10 172.18 3d4r s ALA 19 N -0.01 3.42 -0.30 1.54 0.00 -0.31 -0.51 121.76 125.59 3d4r s ALA 19 Ca -0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 3d4r s ALA 19 Cb -0.08 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.30 3d4r s ALA 19 CO 0.00 0.38 0.04 0.42 0.00 0.00 0.00 175.76 176.61 3d4r s ILE 20 N -0.24 3.48 0.51 0.00 -1.09 0.25 -1.52 121.20 122.59 3d4r s ILE 20 Ca 0.07 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 3d4r s ILE 20 Cb -0.12 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3d4r s ILE 20 CO 0.02 -0.01 0.15 -1.61 -1.23 0.00 0.00 174.94 172.25 3d4r s GLU 21 N 1.38 2.21 -1.54 2.79 2.02 -0.42 -1.22 118.70 123.93 3d4r s GLU 21 Ca -0.01 -2.23 -0.03 0.00 0.02 0.00 0.00 54.97 52.72 3d4r s GLU 21 Cb -0.18 -1.75 0.03 0.00 0.10 0.00 0.00 34.13 32.32 3d4r s GLU 21 CO 0.00 -0.43 0.25 1.63 0.02 0.00 0.00 175.26 176.74 3d4r n LYS 22 N -1.43 -1.92 -3.77 1.61 5.02 -1.26 -1.98 118.16 114.43 3d4r n LYS 22 Ca -0.12 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 3d4r n LYS 22 Cb 0.66 -4.12 0.01 0.00 -0.02 0.00 0.00 35.03 31.56 3d4r n LYS 22 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3d4r n ASP 23 N -2.87 -3.10 0.00 4.39 9.92 -1.26 -1.13 116.55 122.50 3d4r n ASP 23 Ca -0.26 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 3d4r n ASP 23 Cb 0.66 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 3d4r n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d4r n GLY 24 N -1.59 2.96 0.05 0.44 0.00 -0.99 -4.94 105.19 101.12 3d4r n GLY 24 Ca -0.14 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 0.28 0.17 -3.91 1.61 3.02 -0.28 -4.69 115.26 111.45 3d4r n ASN 25 Ca 0.00 -0.89 -0.24 0.00 -0.03 0.00 0.00 54.58 53.42 3d4r n ASN 25 Cb 0.00 -0.05 -0.17 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.11 1.05 -0.17 5.41 0.00 -0.84 -4.95 121.76 120.14 3d4r s ALA 26 Ca 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3d4r s ALA 26 Cb 0.22 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.69 3d4r s ALA 26 CO 0.39 -0.19 -0.09 0.42 0.00 0.00 0.00 175.76 176.29 3d4r s ILE 27 N 1.30 1.36 -0.30 0.00 1.01 -1.26 -1.30 121.20 122.01 3d4r s ILE 27 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3d4r s ILE 27 Cb -0.14 -1.45 0.08 0.00 0.01 0.00 0.00 42.46 40.96 3d4r s ILE 27 CO -0.03 0.21 -0.04 -0.63 0.00 0.00 0.00 174.94 174.46 3d4r s ILE 28 N 1.53 2.20 -0.03 2.92 1.09 -0.58 -4.97 121.20 123.37 3d4r s ILE 28 Ca 0.01 -1.94 -0.30 0.00 -1.10 0.00 0.00 60.65 57.32 3d4r s ILE 28 Cb -0.15 -2.45 -0.04 0.00 -1.06 0.00 0.00 42.46 38.76 3d4r s ILE 28 CO -0.08 -0.28 1.25 -0.36 -0.10 0.00 0.00 174.94 175.36 3d4r s PHE 29 N 1.02 3.13 0.09 3.97 0.08 -1.26 -1.16 117.98 123.84 3d4r s PHE 29 Ca -0.00 1.12 0.06 0.00 0.12 0.00 0.00 56.93 58.23 3d4r s PHE 29 Cb -0.20 -3.48 -0.04 0.00 -0.57 0.00 0.00 43.02 38.73 3d4r s PHE 29 CO -0.06 -1.59 -0.05 -0.51 -0.10 0.00 0.00 175.22 172.90 3d4r s LEU 30 N 2.16 3.27 0.46 -0.37 1.43 -0.57 -5.00 118.68 120.06 3d4r s LEU 30 Ca 0.58 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3d4r s LEU 30 Cb -0.27 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3d4r s LEU 30 CO 0.24 0.18 0.14 -1.83 0.23 0.00 0.00 176.35 175.31 3d4r s GLU 31 N -2.20 2.17 0.00 1.70 -1.05 -1.26 -3.86 118.70 114.20 3d4r s GLU 31 Ca 0.23 -2.09 0.00 0.00 -0.15 0.00 0.00 54.97 52.97 3d4r s GLU 31 Cb -0.11 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 3d4r s GLU 31 CO 0.16 -0.26 0.00 0.36 0.95 0.00 0.00 175.26 176.46 3d4r n LYS 32 N -1.29 0.00 -2.80 -4.83 2.85 -1.26 -5.02 118.16 105.82 3d4r n LYS 32 Ca -0.07 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.17 3d4r n LYS 32 Cb 0.66 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.05 3d4r n LYS 32 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3d4r s GLU 35 N 0.00 0.58 -0.14 -1.58 2.02 -1.26 -5.00 118.70 113.32 3d4r s GLU 35 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 3d4r s GLU 35 Cb 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 3d4r s GLU 35 CO 0.00 -0.75 -0.08 -0.47 0.02 0.00 0.00 175.26 173.98 3d4r s TYR 36 N 1.23 2.93 -0.07 1.61 5.04 -1.26 -5.00 117.35 121.84 3d4r s TYR 36 Ca 0.23 -0.44 0.13 0.00 -2.44 0.00 0.00 57.07 54.56 3d4r s TYR 36 Cb 0.05 -1.90 0.26 0.00 0.35 0.00 0.00 41.96 40.71 3d4r s TYR 36 CO -0.09 -0.10 1.12 -1.13 -1.34 0.00 0.00 175.55 174.01 3d4r n SER 37 N 3.50 1.09 -3.43 4.32 3.41 -1.26 -5.09 113.62 116.16 3d4r n SER 37 Ca -0.18 -2.57 -0.24 0.00 -0.26 0.00 0.00 58.87 55.61 3d4r n SER 37 Cb 0.53 -0.34 0.19 0.00 -0.26 0.00 0.00 64.21 64.33 3d4r n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d4r n GLY 38 N -0.36 -2.29 1.18 5.00 0.00 -1.26 -4.98 105.19 102.49 3d4r n GLY 38 Ca 0.09 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.26 3.43 -1.75 1.61 6.94 -1.26 -4.96 115.26 115.02 3d4r n ASN 39 Ca 0.13 -2.25 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 3d4r n ASN 39 Cb 0.48 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3d4r n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d4r n GLY 40 N 1.02 0.40 3.12 4.83 0.00 -1.26 -4.96 105.19 108.34 3d4r n GLY 40 Ca 0.19 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 3d4r n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4r s LYS 41 N -0.00 2.53 0.08 1.61 2.20 -0.35 -4.89 119.74 120.92 3d4r s LYS 41 Ca 0.00 -0.69 -0.24 0.00 -0.36 0.00 0.00 55.97 54.68 3d4r s LYS 41 Cb 0.00 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.21 3d4r s LYS 41 CO 0.00 0.02 0.74 -0.51 -0.36 0.00 0.00 175.35 175.24 3d4r s LEU 42 N 0.74 4.50 -0.10 5.43 1.43 -1.26 -0.59 118.68 128.84 3d4r s LEU 42 Ca -0.11 1.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 3d4r s LEU 42 Cb -0.16 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3d4r s LEU 42 CO 0.02 0.10 -0.21 -0.76 0.23 0.00 0.00 176.35 175.72 3d4r s LEU 43 N -0.47 2.25 -0.03 1.79 1.43 0.34 -4.21 118.68 119.78 3d4r s LEU 43 Ca 0.36 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3d4r s LEU 43 Cb -0.21 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3d4r s LEU 43 CO 0.23 0.18 0.01 -0.31 0.23 0.00 0.00 176.35 176.70 3d4r s TYR 44 N 0.21 3.12 0.24 0.29 1.51 -0.37 -1.14 117.35 121.22 3d4r s TYR 44 Ca -0.13 0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 3d4r s TYR 44 Cb -0.16 -1.72 -0.10 0.00 -0.11 0.00 0.00 41.96 39.87 3d4r s TYR 44 CO 0.07 0.47 1.36 -1.14 -1.11 0.00 0.00 175.55 175.20 3d4r s GLN 45 N -1.34 4.34 0.28 -0.62 0.74 0.76 -1.25 119.66 122.57 3d4r s GLN 45 Ca 0.18 2.18 0.11 0.00 0.05 0.00 0.00 55.36 57.87 3d4r s GLN 45 Cb -0.11 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 3d4r s GLN 45 CO 0.08 -0.30 -0.09 0.14 -0.55 0.00 0.00 175.29 174.57 3d4r s VAL 46 N -0.19 2.91 0.27 1.34 -7.23 -0.46 -4.68 120.40 112.36 3d4r s VAL 46 Ca 0.56 -2.15 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 3d4r s VAL 46 Cb -0.39 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 33.86 3d4r s VAL 46 CO 0.43 -0.37 1.34 -0.63 -0.31 0.00 0.00 175.10 175.57 3d4r s ILE 47 N -2.43 2.83 0.15 -0.62 1.01 -1.26 -4.53 121.20 116.34 3d4r s ILE 47 Ca 0.31 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.40 3d4r s ILE 47 Cb -0.05 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 3d4r s ILE 47 CO 0.18 0.15 1.68 -0.47 0.00 0.00 0.00 174.94 176.47 3d4r s TYR 48 N -0.49 2.72 0.31 3.97 5.04 -1.26 -4.97 117.35 122.68 3d4r s TYR 48 Ca 0.54 0.36 -0.19 0.00 -2.44 0.00 0.00 57.07 55.34 3d4r s TYR 48 Cb -0.39 -4.04 0.03 0.00 0.35 0.00 0.00 41.96 37.91 3d4r s TYR 48 CO 0.46 -4.03 0.75 0.34 -1.34 0.00 0.00 175.55 171.73 3d4r s ASP 49 N 1.70 -0.17 0.24 4.32 -1.08 -1.26 -5.14 116.67 115.29 3d4r s ASP 49 Ca 0.74 -0.79 -0.30 0.00 -0.52 0.00 0.00 52.55 51.68 3d4r s ASP 49 Cb -0.45 0.77 -0.14 0.00 -1.46 0.00 0.00 42.92 41.64 3d4r s ASP 49 CO 0.33 -1.46 1.14 0.47 0.52 0.00 0.00 175.17 176.16 3d4r n ASP 50 N -0.78 1.60 0.24 -0.34 8.00 -1.26 -4.87 116.55 119.14 3d4r n ASP 50 Ca -0.05 1.16 0.12 0.00 0.71 0.00 0.00 54.79 56.73 3d4r n ASP 50 Cb 0.59 -1.29 0.57 0.00 -0.02 0.00 0.00 41.12 40.97 3d4r n ASP 50 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3d4r h LEU 51 N 2.85 0.00 -2.40 0.64 5.85 -2.00 -3.08 115.31 117.16 3d4r h LEU 51 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3d4r h LEU 51 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3d4r h LEU 51 CO 0.66 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 3d4r h ALA 52 N 1.83 1.00 0.00 1.25 0.00 -1.98 -1.34 119.26 120.02 3d4r h ALA 52 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d4r h ALA 52 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3d4r h ALA 52 CO 0.02 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.63 3d4r n LYS 53 N -2.96 0.68 -2.93 0.00 0.00 -1.16 -4.76 118.16 107.04 3d4r n LYS 53 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.06 3d4r n LYS 53 Cb 0.12 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.63 3d4r n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3d4r n TYR 54 N -1.02 2.72 -3.46 5.58 4.01 -0.51 -5.09 117.16 119.40 3d4r n TYR 54 Ca 0.17 -3.75 -0.13 0.00 -0.16 0.00 0.00 57.90 54.03 3d4r n TYR 54 Cb 0.08 -0.41 -0.10 0.00 -0.31 0.00 0.00 39.34 38.60 3d4r n TYR 54 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3d4r s SER 56 N -3.18 0.63 1.38 7.72 1.04 0.67 -0.82 113.70 121.15 3d4r s SER 56 Ca 0.45 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.04 3d4r s SER 56 Cb 0.33 0.82 0.00 0.00 0.10 0.00 0.00 66.02 67.26 3d4r s SER 56 CO -0.12 -0.30 0.00 0.18 0.98 0.00 0.00 173.24 173.99 3d4r n LEU 57 N 5.35 0.00 -0.67 2.42 7.99 -1.26 -1.65 117.00 129.19 3d4r n LEU 57 Ca -0.05 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.03 3d4r n LEU 57 Cb 0.50 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.89 3d4r n LEU 57 CO 0.06 0.00 0.52 0.47 -1.51 0.00 0.00 177.39 176.93 3d4r n ASP 58 N 9.47 2.42 -4.41 -1.43 9.92 -1.26 -4.99 116.55 126.27 3d4r n ASP 58 Ca 0.00 -1.70 -0.33 0.00 -0.53 0.00 0.00 54.79 52.24 3d4r n ASP 58 Cb 0.00 -0.03 -0.14 0.00 -0.64 0.00 0.00 41.12 40.31 3d4r n ASP 58 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3d4r s THR 59 N -1.31 2.94 0.31 -3.53 2.01 -0.66 -1.05 115.64 114.35 3d4r s THR 59 Ca 0.20 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 3d4r s THR 59 Cb 0.14 -2.18 -0.11 0.00 0.01 0.00 0.00 72.50 70.36 3d4r s THR 59 CO 0.20 0.56 1.47 -0.76 -0.69 0.00 0.00 174.62 175.40 3d4r s LEU 60 N -0.21 4.36 0.07 4.42 1.02 -0.18 -0.24 118.68 127.93 3d4r s LEU 60 Ca 0.00 2.86 0.21 0.00 0.02 0.00 0.00 54.13 57.22 3d4r s LEU 60 Cb -0.13 -3.64 -0.15 0.00 0.02 0.00 0.00 46.19 42.28 3d4r s LEU 60 CO 0.03 -0.78 0.75 0.29 0.02 0.00 0.00 176.35 176.66 3d4r n LYS 61 N 1.43 0.63 -4.13 1.70 5.02 0.00 -1.34 118.16 121.47 3d4r n LYS 61 Ca 0.04 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 3d4r n LYS 61 Cb 0.39 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 3d4r n LYS 61 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3d4r s LYS 62 N -3.22 0.73 0.09 1.97 1.02 -1.25 -4.82 119.74 114.26 3d4r s LYS 62 Ca -0.04 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 3d4r s LYS 62 Cb 0.10 -0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.03 3d4r s LYS 62 CO 0.83 0.03 1.59 -0.51 -0.92 0.00 0.00 175.35 176.37 3d4r s ASP 63 N -2.41 6.64 0.03 2.83 1.01 -1.26 -4.03 116.67 119.48 3d4r s ASP 63 Ca 0.03 2.47 0.04 0.00 0.71 0.00 0.00 52.55 55.79 3d4r s ASP 63 Cb -0.02 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3d4r s ASP 63 CO -0.02 -0.84 -0.12 -0.69 0.21 0.00 0.00 175.17 173.71 3d4r s VAL 64 N 2.18 0.90 -0.07 -1.27 1.01 -0.13 -1.58 120.40 121.45 3d4r s VAL 64 Ca 0.71 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3d4r s VAL 64 Cb -0.40 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3d4r s VAL 64 CO 0.31 -0.02 -0.18 -0.22 0.00 0.00 0.00 175.10 175.00 3d4r s LEU 65 N -0.99 1.88 -0.14 3.92 0.20 -0.28 0.36 118.68 123.63 3d4r s LEU 65 Ca -0.00 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.44 3d4r s LEU 65 Cb -0.07 -1.06 0.00 0.00 -0.43 0.00 0.00 46.19 44.64 3d4r s LEU 65 CO 0.01 0.12 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.36 3d4r s ILE 66 N 0.31 2.27 -0.21 6.68 1.01 -0.07 -0.85 121.20 130.33 3d4r s ILE 66 Ca -0.11 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 3d4r s ILE 66 Cb -0.15 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3d4r s ILE 66 CO 0.04 0.54 0.01 -1.58 0.00 0.00 0.00 174.94 173.96 3d4r s GLN 67 N 0.77 3.64 -0.49 2.79 0.74 0.08 -0.95 119.66 126.23 3d4r s GLN 67 Ca -0.08 -0.51 -0.12 0.00 0.05 0.00 0.00 55.36 54.71 3d4r s GLN 67 Cb -0.16 -3.12 0.11 0.00 1.10 0.00 0.00 33.01 30.94 3d4r s GLN 67 CO -0.00 -0.01 0.39 0.71 -0.55 0.00 0.00 175.29 175.82 3d4r s TYR 68 N 1.07 3.34 0.14 1.67 1.51 0.04 -0.88 117.35 124.24 3d4r s TYR 68 Ca 0.03 -1.54 -0.09 0.00 -1.01 0.00 0.00 57.07 54.45 3d4r s TYR 68 Cb -0.14 -3.48 -0.05 0.00 -0.11 0.00 0.00 41.96 38.18 3d4r s TYR 68 CO 0.02 -0.96 1.41 -1.35 -1.11 0.00 0.00 175.55 173.56 3d4r h PRO 69 N 8.61 0.78 -0.49 -1.71 0.11 -1.83 -2.12 132.00 135.35 3d4r h PRO 69 Ca -0.25 -0.52 0.10 0.00 0.11 0.00 0.00 66.00 65.44 3d4r h PRO 69 Cb 1.09 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 3d4r h PRO 69 CO 0.90 1.14 -0.24 -0.44 -0.21 0.00 0.00 178.00 179.16 3d4r h ASP 70 N 0.58 -0.82 0.16 -2.05 5.19 -1.93 -2.92 116.42 114.63 3d4r h ASP 70 Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3d4r h ASP 70 Cb 1.19 0.44 0.00 0.00 0.18 0.00 0.00 39.33 41.14 3d4r h ASP 70 CO 0.12 -0.26 0.00 0.29 -3.12 0.00 0.00 179.24 176.28 3d4r n LYS 71 N -5.41 0.81 -2.54 3.56 4.76 -0.90 -4.92 118.16 113.51 3d4r n LYS 71 Ca 0.04 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 3d4r n LYS 71 Cb 0.32 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3d4r n LYS 71 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3d4r n HIS 72 N -1.08 -1.46 -4.47 2.13 8.25 -0.85 -4.93 115.22 112.81 3d4r n HIS 72 Ca 0.21 0.06 -0.21 0.00 -0.26 0.00 0.00 57.72 57.51 3d4r n HIS 72 Cb 0.14 -2.83 -0.14 0.00 1.12 0.00 0.00 29.99 28.28 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 -2.66 1.17 0.10 1.59 2.01 -1.20 -5.04 115.64 111.60 3d4r s THR 73 Ca 0.04 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3d4r s THR 73 Cb -0.02 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3d4r s THR 73 CO 0.05 0.12 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.55 3d4r s LEU 74 N -0.90 2.47 -0.01 4.42 0.05 -1.26 -0.78 118.68 122.66 3d4r s LEU 74 Ca 0.03 -0.93 0.01 0.00 0.05 0.00 0.00 54.13 53.30 3d4r s LEU 74 Cb -0.07 -0.13 0.01 0.00 -2.05 0.00 0.00 46.19 43.94 3d4r s LEU 74 CO 0.01 -0.40 -0.04 0.28 -0.55 0.00 0.00 176.35 175.65 3d4r s THR 75 N -3.19 0.35 -0.19 5.48 -1.32 -0.13 -4.99 115.64 111.65 3d4r s THR 75 Ca 0.09 -0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.42 3d4r s THR 75 Cb 0.02 -0.34 -0.00 0.00 -1.51 0.00 0.00 72.50 70.67 3d4r s THR 75 CO -0.03 0.13 -0.09 -0.47 -2.21 0.00 0.00 174.62 171.94 3d4r s TYR 76 N 0.27 2.89 -0.45 9.09 6.14 -1.26 -0.90 117.35 133.13 3d4r s TYR 76 Ca -0.03 -1.03 0.02 0.00 0.64 0.00 0.00 57.07 56.68 3d4r s TYR 76 Cb -0.06 -2.01 0.12 0.00 0.42 0.00 0.00 41.96 40.43 3d4r s TYR 76 CO -0.00 -0.53 0.20 -0.51 0.64 0.00 0.00 175.55 175.35 3d4r s LEU 77 N 1.20 4.76 0.73 6.97 1.43 0.16 -5.01 118.68 128.92 3d4r s LEU 77 Ca 0.02 -2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 50.44 3d4r s LEU 77 Cb -0.14 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.42 3d4r s LEU 77 CO -0.03 -0.35 1.21 -0.75 0.23 0.00 0.00 176.35 176.65 3d4r s LYS 78 N 0.39 2.12 0.46 1.70 2.36 -1.26 -0.96 119.74 124.56 3d4r s LYS 78 Ca 0.13 1.76 -0.24 0.00 -2.55 0.00 0.00 55.97 55.08 3d4r s LYS 78 Cb -0.22 -1.83 -0.08 0.00 -1.05 0.00 0.00 37.83 34.64 3d4r s LYS 78 CO -0.04 -1.85 1.24 0.00 1.55 0.00 0.00 175.35 176.25 3d4r n ALA 79 N -2.73 1.18 0.00 3.13 0.00 -1.26 -1.92 120.51 118.91 3d4r n ALA 79 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3d4r n ALA 79 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.87 1.50 3.71 0.00 0.00 -0.45 -4.95 105.19 105.87 3d4r n GLY 80 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 2.86 -0.09 2.61 2.01 -0.81 -4.69 115.64 115.21 3d4r s THR 81 Ca 0.00 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 3d4r s THR 81 Cb 0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3d4r s THR 81 CO 0.00 0.03 0.30 -0.75 -0.69 0.00 0.00 174.62 173.51 3d4r s LYS 82 N 1.46 3.91 0.21 4.92 2.36 -1.26 -1.01 119.74 130.33 3d4r s LYS 82 Ca 0.70 0.16 0.11 0.00 -2.55 0.00 0.00 55.97 54.39 3d4r s LYS 82 Cb -0.41 -3.28 -0.04 0.00 -1.05 0.00 0.00 37.83 33.04 3d4r s LYS 82 CO 0.31 0.55 -0.19 -0.51 1.55 0.00 0.00 175.35 177.06 3d4r s LEU 83 N -0.52 2.61 0.01 5.43 1.43 -0.22 -4.73 118.68 122.70 3d4r s LEU 83 Ca 0.19 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 3d4r s LEU 83 Cb -0.14 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3d4r s LEU 83 CO 0.08 0.10 -0.00 0.27 0.23 0.00 0.00 176.35 177.02 3d4r s ILE 84 N -1.86 4.13 -0.16 -0.59 -4.36 -1.26 -4.81 121.20 112.29 3d4r s ILE 84 Ca 0.24 -0.65 -0.07 0.00 -0.26 0.00 0.00 60.65 59.91 3d4r s ILE 84 Cb -0.07 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 3d4r s ILE 84 CO 0.12 0.35 0.09 -0.44 0.24 0.00 0.00 174.94 175.30 3d4r s SER 85 N -1.64 5.89 -0.43 4.36 0.01 -1.26 -4.24 113.70 116.39 3d4r s SER 85 Ca 0.20 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.71 3d4r s SER 85 Cb -0.12 -1.95 0.12 0.00 0.21 0.00 0.00 66.02 64.28 3d4r s SER 85 CO 0.11 0.26 0.19 -0.69 0.41 0.00 0.00 173.24 173.52 3d4r s VAL 86 N -0.14 1.97 0.42 3.43 1.01 0.41 -4.98 120.40 122.52 3d4r s VAL 86 Ca 0.08 -2.66 -0.24 0.00 0.00 0.00 0.00 61.98 59.17 3d4r s VAL 86 Cb -0.12 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 3d4r s VAL 86 CO 0.01 -0.77 1.12 -2.16 0.00 0.00 0.00 175.10 173.30 3d4r s PRO 87 N 0.38 4.00 -0.37 2.72 0.04 -1.26 -1.46 135.00 139.04 3d4r s PRO 87 Ca 0.15 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.90 3d4r s PRO 87 Cb -0.23 -2.53 0.11 0.00 0.04 0.00 0.00 34.50 31.89 3d4r s PRO 87 CO -0.05 -0.32 0.10 0.00 0.04 0.00 0.00 177.00 176.77 3d4r s ALA 88 N -1.56 2.79 -0.03 8.56 0.00 0.13 -4.96 121.76 126.69 3d4r s ALA 88 Ca 0.60 -2.58 0.03 0.00 0.00 0.00 0.00 51.96 50.01 3d4r s ALA 88 Cb -0.26 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 3d4r s ALA 88 CO 0.33 -1.76 -0.13 -1.21 0.00 0.00 0.00 175.76 172.99 3d4r s GLU 89 N 0.74 1.28 0.00 0.00 2.02 -1.26 -1.98 118.70 119.50 3d4r s GLU 89 Ca 0.12 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3d4r s GLU 89 Cb -0.20 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.87 3d4r s GLU 89 CO -0.08 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.80 3d4r n GLY 90 N 3.15 -1.13 0.25 -1.39 0.00 -1.26 -4.99 105.19 99.82 3d4r n GLY 90 Ca -0.18 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 3d4r n GLY 90 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3d4r h TYR 91 N 0.00 0.63 -3.80 1.61 3.20 -1.92 -3.40 116.97 113.28 3d4r h TYR 91 Ca 0.00 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.62 3d4r h TYR 91 Cb 0.00 -0.19 -0.28 0.00 1.54 0.00 0.00 36.73 37.80 3d4r h TYR 91 CO 0.00 0.29 -0.73 0.15 -1.64 0.00 0.00 178.16 176.22 3d4r s LYS 92 N -6.10 0.18 -0.08 1.82 1.02 -0.76 -4.99 119.74 110.83 3d4r s LYS 92 Ca -0.13 -0.08 0.03 0.00 0.02 0.00 0.00 55.97 55.81 3d4r s LYS 92 Cb 0.16 -0.18 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 3d4r s LYS 92 CO 0.75 0.04 -0.16 0.08 -0.92 0.00 0.00 175.35 175.15 3d4r s VAL 93 N -0.03 1.41 -0.53 3.17 1.01 -1.26 -0.60 120.40 123.57 3d4r s VAL 93 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3d4r s VAL 93 Cb -0.01 -1.26 0.14 0.00 0.00 0.00 0.00 36.38 35.24 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 0.63 3.25 0.57 5.22 1.51 0.12 -4.94 117.35 123.71 3d4r s TYR 94 Ca -0.15 -3.08 -0.07 0.00 -1.01 0.00 0.00 57.07 52.77 3d4r s TYR 94 Cb -0.16 -2.90 -0.01 0.00 -0.11 0.00 0.00 41.96 38.77 3d4r s TYR 94 CO 0.04 -0.77 0.90 -1.25 -1.11 0.00 0.00 175.55 173.37 3d4r s PRO 95 N -0.20 3.19 0.00 -1.71 0.04 -1.26 -1.11 135.00 133.95 3d4r s PRO 95 Ca 0.17 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.41 3d4r s PRO 95 Cb -0.24 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3d4r s PRO 95 CO -0.01 -0.57 0.00 0.44 0.04 0.00 0.00 177.00 176.90 3d4r n ILE 96 N -2.55 0.00 -0.08 0.56 -5.35 0.36 -4.94 119.36 107.36 3d4r n ILE 96 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 3d4r n ILE 96 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 3d4r n ILE 96 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3d4r n ASP 98 N 0.00 0.00 -2.62 7.28 5.75 -1.26 -5.03 116.55 120.67 3d4r n ASP 98 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 3d4r n ASP 98 Cb 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3d4r n ASP 98 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 3d4r n PHE 99 N -0.45 -1.81 -1.12 2.11 -1.74 -1.26 -5.04 117.46 108.15 3d4r n PHE 99 Ca 0.00 -1.36 0.00 0.00 -0.56 0.00 0.00 57.45 55.53 3d4r n PHE 99 Cb 0.02 0.68 0.00 0.00 1.52 0.00 0.00 39.48 41.70 3d4r n PHE 99 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3d4r n GLY 100 N -0.50 0.56 3.47 4.97 0.00 0.19 -4.99 105.19 108.90 3d4r n GLY 100 Ca -0.05 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.16 -0.57 0.22 1.61 -0.12 -1.02 -4.90 117.98 111.03 3d4r s PHE 101 Ca 0.00 0.65 -0.26 0.00 -0.05 0.00 0.00 56.93 57.26 3d4r s PHE 101 Cb 0.00 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.80 3d4r s PHE 101 CO 0.00 -0.72 0.85 0.50 -0.05 0.00 0.00 175.22 175.80 3d4r s ARG 102 N -2.61 4.64 0.11 1.99 3.52 -1.26 -1.39 118.95 123.95 3d4r s ARG 102 Ca -0.04 1.27 0.07 0.00 -0.13 0.00 0.00 55.73 56.90 3d4r s ARG 102 Cb -0.01 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3d4r s ARG 102 CO -0.03 0.50 -0.16 0.14 -0.81 0.00 0.00 175.30 174.94 3d4r s VAL 103 N -1.26 1.44 0.50 7.11 -7.23 -0.23 -4.94 120.40 115.79 3d4r s VAL 103 Ca 0.40 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 3d4r s VAL 103 Cb -0.23 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 3d4r s VAL 103 CO 0.27 -0.28 0.77 -0.76 -0.31 0.00 0.00 175.10 174.80 3d4r s LEU 104 N -2.20 3.50 0.32 1.32 1.43 -1.26 -1.84 118.68 119.95 3d4r s LEU 104 Ca 0.07 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 3d4r s LEU 104 Cb -0.07 -3.46 -0.12 0.00 0.03 0.00 0.00 46.19 42.57 3d4r s LEU 104 CO 0.04 -0.79 1.39 1.17 0.23 0.00 0.00 176.35 178.38 3d4r n LYS 105 N -2.29 2.29 -0.03 1.70 4.81 -1.25 -2.78 118.16 120.61 3d4r n LYS 105 Ca 0.02 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3d4r n LYS 105 Cb 0.57 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 1.17 0.39 3.72 3.14 0.00 0.32 -4.95 105.19 108.97 3d4r n GLY 106 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3d4r n GLY 106 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d4r s TYR 107 N -2.14 3.08 -0.12 1.61 5.04 -1.12 -4.52 117.35 119.19 3d4r s TYR 107 Ca 0.00 0.67 -0.29 0.00 -2.44 0.00 0.00 57.07 55.00 3d4r s TYR 107 Cb 0.00 -3.90 -0.03 0.00 0.35 0.00 0.00 41.96 38.38 3d4r s TYR 107 CO 0.00 -3.29 1.43 0.50 -1.34 0.00 0.00 175.55 172.85 3d4r s ARG 108 N 1.11 4.21 -0.18 4.97 3.52 -1.26 -0.10 118.95 131.22 3d4r s ARG 108 Ca 0.69 1.89 0.18 0.00 -0.13 0.00 0.00 55.73 58.37 3d4r s ARG 108 Cb -0.43 -3.86 -0.26 0.00 -1.56 0.00 0.00 34.95 28.84 3d4r s ARG 108 CO 0.31 -0.77 0.11 1.28 -0.81 0.00 0.00 175.30 175.42 3d4r n LEU 109 N 6.85 0.01 -3.54 -0.88 4.77 0.68 -4.83 117.00 120.06 3d4r n LEU 109 Ca 0.15 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 3d4r n LEU 109 Cb 0.44 0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.93 3d4r n LEU 109 CO 0.59 0.46 0.33 0.00 -1.33 0.00 0.00 177.39 177.44 3d4r s ALA 110 N -2.57 -1.48 -0.18 -1.18 0.00 -0.92 -0.49 121.76 114.95 3d4r s ALA 110 Ca -0.10 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3d4r s ALA 110 Cb 0.07 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3d4r s ALA 110 CO 0.84 -0.49 0.02 0.99 0.00 0.00 0.00 175.76 177.11 3d4r s THR 111 N -2.22 4.30 -0.09 0.00 2.01 -0.27 -0.75 115.64 118.62 3d4r s THR 111 Ca -0.06 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 3d4r s THR 111 Cb -0.01 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 3d4r s THR 111 CO 0.00 0.46 0.08 -0.76 -0.69 0.00 0.00 174.62 173.72 3d4r s LEU 112 N 0.52 4.03 -0.07 4.42 1.43 0.78 -0.71 118.68 129.08 3d4r s LEU 112 Ca 0.00 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3d4r s LEU 112 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3d4r s LEU 112 CO 0.02 0.38 -0.13 -0.70 0.23 0.00 0.00 176.35 176.15 3d4r s GLU 113 N -1.07 1.78 0.89 1.70 2.12 0.23 -1.59 118.70 122.76 3d4r s GLU 113 Ca 0.15 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.93 3d4r s GLU 113 Cb -0.12 -1.46 0.13 0.00 0.26 0.00 0.00 34.13 32.94 3d4r s GLU 113 CO 0.05 0.03 1.14 -1.54 -0.54 0.00 0.00 175.26 174.40 3d4r s SER 114 N 0.66 3.69 0.49 -1.70 1.04 -0.10 -1.84 113.70 115.94 3d4r s SER 114 Ca -0.14 0.93 0.33 0.00 0.48 0.00 0.00 55.95 57.55 3d4r s SER 114 Cb -0.16 -1.50 1.74 0.00 0.10 0.00 0.00 66.02 66.20 3d4r s SER 114 CO 0.04 -2.44 2.01 0.07 0.98 0.00 0.00 173.24 173.90 3d4r h LYS 115 N -1.42 0.00 -0.00 4.02 2.10 -1.94 -0.10 116.57 119.23 3d4r h LYS 115 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3d4r h LYS 115 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3d4r h LYS 115 CO 0.63 0.00 -0.62 1.63 -2.00 0.00 0.00 179.45 179.09 3d4r n LYS 116 N -2.68 0.40 -0.43 0.07 5.02 -1.26 -4.98 118.16 114.30 3d4r n LYS 116 Ca -0.02 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 3d4r n LYS 116 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3d4r n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4r n GLY 117 N 1.46 0.76 3.83 0.72 0.00 -0.05 -5.08 105.19 106.82 3d4r n GLY 117 Ca 0.07 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.24 6.96 0.11 1.61 1.01 -1.26 -4.78 116.67 118.08 3d4r s ASP 118 Ca 0.00 1.41 0.05 0.00 0.71 0.00 0.00 52.55 54.72 3d4r s ASP 118 Cb 0.00 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3d4r s ASP 118 CO 0.00 -0.09 0.03 -0.76 0.21 0.00 0.00 175.17 174.56 3d4r s LEU 119 N -2.44 3.55 0.04 1.23 1.43 -1.26 -0.93 118.68 120.30 3d4r s LEU 119 Ca 0.49 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 3d4r s LEU 119 Cb -0.14 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3d4r s LEU 119 CO 0.19 0.15 0.07 -0.13 0.23 0.00 0.00 176.35 176.87 3d4r s ARG 120 N -2.48 0.58 -0.02 1.70 0.52 -0.62 -4.99 118.95 113.63 3d4r s ARG 120 Ca 0.27 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 3d4r s ARG 120 Cb -0.11 0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3d4r s ARG 120 CO 0.20 -0.14 -0.18 0.71 0.02 0.00 0.00 175.30 175.90 3d4r s TYR 121 N -2.70 1.66 -0.37 -0.53 2.02 -1.26 -0.16 117.35 116.01 3d4r s TYR 121 Ca -0.04 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.21 3d4r s TYR 121 Cb -0.01 -1.07 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 3d4r s TYR 121 CO -0.05 -0.04 0.22 0.08 -1.57 0.00 0.00 175.55 174.18 3d4r s VAL 122 N -0.38 4.76 0.24 0.71 1.01 0.07 -4.95 120.40 121.86 3d4r s VAL 122 Ca 0.06 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3d4r s VAL 122 Cb -0.08 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3d4r s VAL 122 CO -0.00 -0.19 0.12 0.20 0.00 0.00 0.00 175.10 175.23 3d4r s ASN 123 N 1.60 5.19 0.06 3.32 0.01 -1.26 -0.23 114.94 123.62 3d4r s ASN 123 Ca 0.03 -0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 51.52 3d4r s ASN 123 Cb -0.19 -1.22 -0.09 0.00 0.41 0.00 0.00 41.25 40.16 3d4r s ASN 123 CO 0.07 -0.00 1.83 -0.55 -1.51 0.00 0.00 177.10 176.94 3d4r s SER 124 N -3.62 6.49 0.40 -1.22 0.15 0.86 -4.85 113.70 111.92 3d4r s SER 124 Ca 0.32 2.62 0.22 0.00 0.70 0.00 0.00 55.95 59.81 3d4r s SER 124 Cb -0.08 -2.55 0.57 0.00 -1.71 0.00 0.00 66.02 62.25 3d4r s SER 124 CO 0.23 -0.99 1.68 1.55 1.20 0.00 0.00 173.24 176.90 3d4r h PRO 125 N 9.37 0.00 -4.71 5.44 0.13 -1.93 0.92 132.00 141.22 3d4r h PRO 125 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 3d4r h PRO 125 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 3d4r h PRO 125 CO 0.94 0.24 -0.64 0.14 -0.23 0.00 0.00 178.00 178.46 3d4r s VAL 126 N -3.34 0.38 0.16 1.56 -7.23 -1.26 -4.85 120.40 105.82 3d4r s VAL 126 Ca 0.03 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 3d4r s VAL 126 Cb 0.08 -2.34 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 3d4r s VAL 126 CO 0.67 -0.23 0.82 -0.44 -0.31 0.00 0.00 175.10 175.61 3d4r s SER 127 N -3.19 7.43 0.00 4.85 0.01 -1.26 -3.75 113.70 117.78 3d4r s SER 127 Ca 0.31 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.26 3d4r s SER 127 Cb 0.07 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.78 3d4r s SER 127 CO 0.08 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.50 3d4r n GLY 128 N 1.70 -0.65 3.29 3.44 0.00 -0.77 -3.23 105.19 108.96 3d4r n GLY 128 Ca -0.04 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.00 2.71 -0.50 2.61 2.01 -0.14 -1.07 115.64 118.26 3d4r s THR 129 Ca 0.00 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 3d4r s THR 129 Cb 0.00 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.41 3d4r s THR 129 CO 0.00 0.52 0.97 -0.69 -0.69 0.00 0.00 174.62 174.73 3d4r s VAL 130 N 0.68 4.38 -0.18 3.82 1.01 -0.49 -0.48 120.40 129.14 3d4r s VAL 130 Ca -0.08 0.67 0.18 0.00 0.00 0.00 0.00 61.98 62.75 3d4r s VAL 130 Cb -0.16 -4.51 -0.27 0.00 0.00 0.00 0.00 36.38 31.45 3d4r s VAL 130 CO 0.02 -0.98 0.47 2.30 0.00 0.00 0.00 175.10 176.91 3d4r n ILE 131 N 6.42 0.00 -3.51 2.22 -5.35 -0.58 0.57 119.36 119.14 3d4r n ILE 131 Ca 0.06 -0.35 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 3d4r n ILE 131 Cb 0.48 0.26 0.01 0.00 -1.74 0.00 0.00 39.64 38.65 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 -2.00 -1.27 0.00 4.28 7.35 -1.16 -4.57 117.46 120.10 3d4r n PHE 132 Ca -0.02 -0.71 0.00 0.00 -0.76 0.00 0.00 57.45 55.96 3d4r n PHE 132 Cb 0.44 0.35 0.00 0.00 0.35 0.00 0.00 39.48 40.62 3d4r n PHE 132 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3d4r n ASN 134 N -1.07 0.00 -4.77 -2.13 6.94 -0.81 -0.65 115.26 112.76 3d4r n ASN 134 Ca -0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.13 3d4r n ASN 134 Cb 0.27 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.68 3d4r n ASN 134 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3d4r s GLU 135 N -2.00 4.16 -0.11 -3.83 2.12 -1.26 -1.19 118.70 116.58 3d4r s GLU 135 Ca 0.00 2.41 -0.29 0.00 0.36 0.00 0.00 54.97 57.45 3d4r s GLU 135 Cb 0.00 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 3d4r s GLU 135 CO 0.00 -0.43 1.45 0.42 -0.54 0.00 0.00 175.26 176.16 3d4r s ILE 136 N -1.14 3.95 0.34 -3.70 1.01 0.85 -4.80 121.20 117.72 3d4r s ILE 136 Ca 0.52 1.15 0.13 0.00 0.00 0.00 0.00 60.65 62.45 3d4r s ILE 136 Cb -0.43 -3.74 0.34 0.00 0.01 0.00 0.00 42.46 38.63 3d4r s ILE 136 CO 0.58 -0.10 1.62 -0.65 0.00 0.00 0.00 174.94 176.39 3d4r h PRO 137 N 8.84 0.15 -0.06 2.79 0.11 -1.92 -1.31 132.00 140.61 3d4r h PRO 137 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3d4r h PRO 137 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3d4r h PRO 137 CO 0.96 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.72 3d4r n SER 138 N -5.21 2.81 -3.94 -2.05 3.41 -1.26 -4.77 113.62 102.61 3d4r n SER 138 Ca 0.31 -1.89 -0.30 0.00 -0.26 0.00 0.00 58.87 56.73 3d4r n SER 138 Cb 1.01 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.80 3d4r n SER 138 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3d4r s GLU 139 N -1.72 1.95 0.26 4.33 2.02 -0.49 -5.09 118.70 119.95 3d4r s GLU 139 Ca 0.26 -2.60 -0.31 0.00 0.02 0.00 0.00 54.97 52.34 3d4r s GLU 139 Cb 0.18 -3.28 -0.13 0.00 0.10 0.00 0.00 34.13 31.00 3d4r s GLU 139 CO 0.27 -1.11 1.40 -2.13 0.02 0.00 0.00 175.26 173.70 3d4r n ARG 140 N 3.13 2.08 -2.14 1.61 0.63 -1.26 -1.72 116.66 118.98 3d4r n ARG 140 Ca 0.05 0.74 -0.18 0.00 -0.92 0.00 0.00 57.85 57.54 3d4r n ARG 140 Cb 0.32 -2.39 -0.02 0.00 0.45 0.00 0.00 32.46 30.82 3d4r n ARG 140 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3d4r n ALA 141 N 1.70 -0.47 -2.46 5.13 0.00 -1.26 -4.99 120.51 118.16 3d4r n ALA 141 Ca 0.10 0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.46 3d4r n ALA 141 Cb 0.32 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.71 3d4r n ALA 141 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d4r s ASN 142 N -2.34 2.68 0.12 0.00 0.01 -0.70 -4.15 114.94 110.57 3d4r s ASN 142 Ca 0.00 -0.59 0.04 0.00 -0.71 0.00 0.00 52.86 51.60 3d4r s ASN 142 Cb 0.00 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 3d4r s ASN 142 CO 0.00 0.16 -0.10 -0.31 -1.51 0.00 0.00 177.10 175.34 3d4r s TYR 143 N -0.90 1.15 -0.06 2.20 2.02 -0.84 -0.10 117.35 120.83 3d4r s TYR 143 Ca 0.09 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 3d4r s TYR 143 Cb -0.09 -0.61 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 3d4r s TYR 143 CO 0.03 0.03 -0.05 0.54 -1.57 0.00 0.00 175.55 174.52 3d4r s VAL 144 N -3.03 0.64 -0.12 0.71 0.11 -0.33 0.21 120.40 118.59 3d4r s VAL 144 Ca 0.12 -0.16 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 3d4r s VAL 144 Cb 0.01 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3d4r s VAL 144 CO -0.00 0.26 0.14 -0.36 -3.33 0.00 0.00 175.10 171.81 3d4r s PHE 145 N 1.08 3.59 0.35 1.54 0.40 -0.54 -1.93 117.98 122.48 3d4r s PHE 145 Ca -0.08 0.53 0.08 0.00 -0.60 0.00 0.00 56.93 56.85 3d4r s PHE 145 Cb -0.14 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 3d4r s PHE 145 CO -0.01 0.72 0.16 0.71 0.70 0.00 0.00 175.22 177.50 3d4r s TYR 146 N -0.97 2.69 -0.06 0.36 2.02 0.18 -0.44 117.35 121.13 3d4r s TYR 146 Ca 0.15 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3d4r s TYR 146 Cb -0.12 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3d4r s TYR 146 CO 0.04 0.29 0.04 -0.51 -1.57 0.00 0.00 175.55 173.85 3d4r s LEU 148 N -3.87 0.29 0.12 -1.29 1.43 0.37 -1.53 118.68 114.20 3d4r s LEU 148 Ca 0.39 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.18 3d4r s LEU 148 Cb -0.02 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.91 3d4r s LEU 148 CO 0.23 -0.24 0.97 -0.70 0.23 0.00 0.00 176.35 176.84 3d4r s GLU 149 N 2.11 4.70 0.00 1.70 2.12 -1.26 -0.97 118.70 127.10 3d4r s GLU 149 Ca 0.05 1.48 0.18 0.00 0.36 0.00 0.00 54.97 57.04 3d4r s GLU 149 Cb -0.12 -3.36 0.14 0.00 0.26 0.00 0.00 34.13 31.05 3d4r s GLU 149 CO -0.04 0.21 1.07 -0.85 -0.54 0.00 0.00 175.26 175.12