#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djr n PRO 11 N 0.00 0.01 -3.80 0.00 -0.04 -1.26 -4.61 135.00 125.30 3djr n PRO 11 Ca 0.00 -0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 3djr n PRO 11 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 3djr n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djr s LEU 12 N -2.99 1.49 0.01 1.53 2.96 -1.26 -0.20 118.68 120.22 3djr s LEU 12 Ca 0.13 -0.82 0.08 0.00 -0.22 0.00 0.00 54.13 53.31 3djr s LEU 12 Cb 0.18 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 3djr s LEU 12 CO 0.60 -0.26 -0.26 -0.04 -1.32 0.00 0.00 176.35 175.07 3djr s MET 13 N 1.74 1.97 -0.06 1.98 -1.94 -0.09 -4.67 119.30 118.23 3djr s MET 13 Ca -0.01 -1.00 0.04 0.00 -1.71 0.00 0.00 55.69 53.01 3djr s MET 13 Cb -0.17 -2.00 -0.00 0.00 2.01 0.00 0.00 34.83 34.67 3djr s MET 13 CO -0.07 0.54 -0.19 0.08 -0.01 0.00 0.00 175.02 175.36 3djr s VAL 14 N -0.68 1.63 -0.06 -6.03 1.01 -0.83 -0.56 120.40 114.89 3djr s VAL 14 Ca 0.11 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3djr s VAL 14 Cb -0.10 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3djr s VAL 14 CO 0.00 0.46 -0.14 -0.75 0.00 0.00 0.00 175.10 174.68 3djr s LYS 15 N 0.20 1.79 -0.07 2.72 2.20 0.37 -0.20 119.74 126.73 3djr s LYS 15 Ca -0.09 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 3djr s LYS 15 Cb -0.14 -1.48 0.01 0.00 -1.51 0.00 0.00 37.83 34.71 3djr s LYS 15 CO 0.04 0.09 -0.12 0.08 -0.36 0.00 0.00 175.35 175.08 3djr s VAL 16 N 0.48 1.17 0.06 4.02 1.01 0.10 -0.59 120.40 126.65 3djr s VAL 16 Ca -0.12 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3djr s VAL 16 Cb -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3djr s VAL 16 CO 0.04 0.37 -0.19 -0.76 0.00 0.00 0.00 175.10 174.56 3djr s LEU 17 N 0.79 2.59 -0.37 3.92 1.43 0.14 -0.08 118.68 127.09 3djr s LEU 17 Ca -0.12 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 3djr s LEU 17 Cb -0.15 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3djr s LEU 17 CO 0.02 0.24 0.26 -0.62 0.23 0.00 0.00 176.35 176.48 3djr s ASP 18 N -1.58 6.06 0.03 2.29 -1.08 0.06 -0.05 116.67 122.39 3djr s ASP 18 Ca 0.15 -0.65 0.28 0.00 -0.52 0.00 0.00 52.55 51.81 3djr s ASP 18 Cb -0.10 -2.14 1.15 0.00 -1.46 0.00 0.00 42.92 40.37 3djr s ASP 18 CO 0.06 -0.33 1.89 0.00 0.52 0.00 0.00 175.17 177.31 3djr n ALA 19 N 5.12 2.30 0.00 3.66 0.00 0.29 -1.30 120.51 130.58 3djr n ALA 19 Ca -0.12 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 3djr n ALA 19 Cb 0.48 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 3djr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3djr h VAL 20 N 0.00 0.74 0.00 0.00 2.07 -1.94 -3.39 116.25 113.73 3djr h VAL 20 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3djr h VAL 20 Cb 0.53 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3djr h VAL 20 CO 0.00 0.81 -1.02 0.54 0.02 0.00 0.00 177.57 177.92 3djr n ARG 21 N -3.66 0.13 -3.24 1.57 1.74 -1.22 -4.98 116.66 107.00 3djr n ARG 21 Ca -0.30 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.62 3djr n ARG 21 Cb 0.99 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 31.03 3djr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djr n GLY 22 N 1.48 -0.26 3.23 -0.13 0.00 -0.42 -5.02 105.19 104.08 3djr n GLY 22 Ca 0.04 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3djr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djr s SER 23 N -4.17 0.19 0.59 1.61 1.04 -1.09 -5.02 113.70 106.85 3djr s SER 23 Ca 0.00 -1.02 -0.20 0.00 0.48 0.00 0.00 55.95 55.22 3djr s SER 23 Cb -0.00 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3djr s SER 23 CO 0.63 -0.80 1.30 -2.84 0.98 0.00 0.00 173.24 172.52 3djr s PRO 24 N -4.00 2.92 -0.46 4.02 0.02 -1.26 -0.76 135.00 135.48 3djr s PRO 24 Ca 0.19 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 63.08 3djr s PRO 24 Cb 0.05 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.54 3djr s PRO 24 CO -0.00 -1.32 0.74 0.00 -0.33 0.00 0.00 177.00 176.09 3djr s ALA 25 N -1.39 3.30 -0.03 -1.55 0.00 0.88 -4.54 121.76 118.43 3djr s ALA 25 Ca 0.76 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 3djr s ALA 25 Cb -0.37 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 3djr s ALA 25 CO 0.42 -1.92 0.33 0.42 0.00 0.00 0.00 175.76 175.00 3djr s ILE 26 N 3.16 5.18 -1.25 0.00 1.01 -1.26 -4.34 121.20 123.70 3djr s ILE 26 Ca 0.27 0.64 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 3djr s ILE 26 Cb -0.13 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3djr s ILE 26 CO 0.21 0.59 0.27 0.59 0.00 0.00 0.00 174.94 176.59 3djr n ASN 27 N 1.85 -4.90 -4.71 3.58 4.13 -0.33 -4.92 115.26 109.95 3djr n ASN 27 Ca -0.16 -0.13 -0.39 0.00 1.68 0.00 0.00 54.58 55.58 3djr n ASN 27 Cb 0.53 -3.86 -0.06 0.00 -1.54 0.00 0.00 39.78 34.85 3djr n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3djr s VAL 28 N -2.93 5.12 0.12 2.41 1.01 -1.26 -4.75 120.40 120.13 3djr s VAL 28 Ca 0.13 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3djr s VAL 28 Cb -0.06 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3djr s VAL 28 CO 0.17 0.27 1.19 0.00 0.00 0.00 0.00 175.10 176.72 3djr s ALA 29 N 0.89 3.41 -0.08 5.51 0.00 -1.26 -0.95 121.76 129.29 3djr s ALA 29 Ca 0.30 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3djr s ALA 29 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 3djr s ALA 29 CO 0.13 -0.39 -0.15 0.08 0.00 0.00 0.00 175.76 175.44 3djr s VAL 30 N 0.49 1.34 -0.11 0.00 1.01 0.94 -0.76 120.40 123.31 3djr s VAL 30 Ca 0.56 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3djr s VAL 30 Cb -0.31 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3djr s VAL 30 CO 0.33 0.40 -0.19 -1.00 0.00 0.00 0.00 175.10 174.64 3djr s HIS 31 N 0.66 2.67 -0.14 5.22 3.76 -0.03 -1.19 115.29 126.24 3djr s HIS 31 Ca -0.14 -0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 53.94 3djr s HIS 31 Cb -0.16 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 3djr s HIS 31 CO 0.04 -0.28 -0.07 0.08 -0.85 0.00 0.00 174.74 173.65 3djr s VAL 32 N 0.26 3.57 0.18 -0.90 1.01 0.78 0.26 120.40 125.56 3djr s VAL 32 Ca -0.13 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.48 3djr s VAL 32 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3djr s VAL 32 CO 0.07 0.51 -0.22 -0.36 0.00 0.00 0.00 175.10 175.09 3djr s PHE 33 N 0.33 2.36 -0.09 5.22 0.40 0.13 -0.19 117.98 126.14 3djr s PHE 33 Ca -0.07 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3djr s PHE 33 Cb -0.15 -1.19 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 3djr s PHE 33 CO 0.04 0.47 -0.24 0.50 0.70 0.00 0.00 175.22 176.69 3djr s ARG 34 N -2.56 2.88 0.07 0.44 3.52 -0.09 -0.26 118.95 122.95 3djr s ARG 34 Ca 0.20 -0.87 -0.31 0.00 -0.13 0.00 0.00 55.73 54.62 3djr s ARG 34 Cb -0.09 -2.24 -0.08 0.00 -1.56 0.00 0.00 34.95 30.99 3djr s ARG 34 CO 0.10 0.23 1.54 0.21 -0.81 0.00 0.00 175.30 176.56 3djr s LYS 35 N 0.22 4.24 0.58 5.12 2.20 -0.29 -1.12 119.74 130.69 3djr s LYS 35 Ca -0.15 2.21 0.01 0.00 -0.36 0.00 0.00 55.97 57.68 3djr s LYS 35 Cb -0.17 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.73 3djr s LYS 35 CO 0.08 -0.63 0.82 0.00 -0.36 0.00 0.00 175.35 175.25 3djr s ALA 36 N 2.11 3.86 0.24 3.13 0.00 0.84 -4.73 121.76 127.20 3djr s ALA 36 Ca 0.69 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3djr s ALA 36 Cb -0.38 -2.08 0.31 0.00 0.00 0.00 0.00 23.12 20.98 3djr s ALA 36 CO 0.30 -0.88 1.59 0.00 0.00 0.00 0.00 175.76 176.78 3djr h ALA 37 N -0.04 0.46 0.00 0.00 0.00 -1.94 0.40 119.26 118.13 3djr h ALA 37 Ca -0.41 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3djr h ALA 37 Cb 1.29 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3djr h ALA 37 CO 0.50 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 178.91 3djr n ASP 38 N -5.51 0.88 -1.96 0.00 5.68 -1.26 -4.83 116.55 109.55 3djr n ASP 38 Ca 0.11 -1.60 -0.21 0.00 -0.50 0.00 0.00 54.79 52.59 3djr n ASP 38 Cb 0.40 -0.40 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 3djr n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3djr n ASP 39 N 0.13 -5.60 -4.78 -1.12 9.92 0.13 -5.00 116.55 110.22 3djr n ASP 39 Ca 0.00 0.27 -0.23 0.00 -0.53 0.00 0.00 54.79 54.31 3djr n ASP 39 Cb 0.21 -4.82 -0.06 0.00 -0.64 0.00 0.00 41.12 35.82 3djr n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3djr s THR 40 N -2.87 2.89 -0.15 -3.53 -4.23 -1.25 -4.89 115.64 101.61 3djr s THR 40 Ca 0.00 -1.58 -0.22 0.00 -1.18 0.00 0.00 61.69 58.71 3djr s THR 40 Cb 0.00 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 3djr s THR 40 CO 0.00 -0.11 0.67 0.26 -0.54 0.00 0.00 174.62 174.90 3djr s TRP 41 N -2.45 3.45 -0.11 3.99 0.52 -1.26 -0.11 118.94 122.96 3djr s TRP 41 Ca 0.41 1.07 -0.02 0.00 0.02 0.00 0.00 56.10 57.57 3djr s TRP 41 Cb -0.02 -2.82 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 3djr s TRP 41 CO 0.24 -0.09 -0.03 -2.00 0.02 0.00 0.00 176.95 175.09 3djr s GLU 42 N 1.57 3.22 0.12 4.98 2.12 -0.28 -4.93 118.70 125.50 3djr s GLU 42 Ca 0.32 -0.49 -0.33 0.00 0.36 0.00 0.00 54.97 54.83 3djr s GLU 42 Cb -0.16 -2.79 -0.13 0.00 0.26 0.00 0.00 34.13 31.31 3djr s GLU 42 CO 0.13 0.50 1.70 -2.30 -0.54 0.00 0.00 175.26 174.75 3djr n PRO 43 N 2.76 2.37 -0.01 4.30 -0.02 -1.26 -0.91 135.00 142.23 3djr n PRO 43 Ca -0.18 0.86 -0.01 0.00 -2.02 0.00 0.00 63.50 62.15 3djr n PRO 43 Cb 0.53 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 3djr n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djr n PHE 44 N 4.50 0.00 -3.52 6.00 7.35 0.73 -4.83 117.46 127.68 3djr n PHE 44 Ca 0.18 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.79 3djr n PHE 44 Cb 0.31 -0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.05 3djr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djr s ALA 45 N -2.04 -1.87 0.15 3.13 0.00 -0.74 -4.95 121.76 115.44 3djr s ALA 45 Ca -0.03 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 3djr s ALA 45 Cb 0.01 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.46 3djr s ALA 45 CO 0.04 -0.65 0.71 -1.54 0.00 0.00 0.00 175.76 174.32 3djr s SER 46 N -2.35 -0.44 0.00 0.00 1.04 -1.26 -0.15 113.70 110.54 3djr s SER 46 Ca 0.05 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3djr s SER 46 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3djr s SER 46 CO -0.08 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3djr n GLY 47 N -0.37 -1.26 3.24 7.32 0.00 -0.33 -4.95 105.19 108.84 3djr n GLY 47 Ca -0.12 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 3djr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djr s LYS 48 N -0.83 1.31 0.48 1.61 1.02 -1.26 -0.04 119.74 122.04 3djr s LYS 48 Ca 0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 55.97 54.84 3djr s LYS 48 Cb 0.00 -1.43 -0.07 0.00 -0.52 0.00 0.00 37.83 35.81 3djr s LYS 48 CO 0.00 0.36 1.15 0.95 -0.92 0.00 0.00 175.35 176.89 3djr s THR 49 N -0.84 3.14 0.03 2.17 -4.23 -0.12 -4.67 115.64 111.13 3djr s THR 49 Ca 0.07 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 3djr s THR 49 Cb -0.09 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.37 3djr s THR 49 CO 0.02 -0.06 0.05 -1.54 -0.54 0.00 0.00 174.62 172.55 3djr n SER 50 N -0.73 0.01 0.17 3.99 3.41 0.75 -1.19 113.62 120.03 3djr n SER 50 Ca 0.09 -1.02 0.13 0.00 -0.26 0.00 0.00 58.87 57.81 3djr n SER 50 Cb 0.49 -0.04 0.56 0.00 -0.26 0.00 0.00 64.21 64.96 3djr n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3djr h GLU 51 N 0.00 0.00 -0.52 4.33 5.08 -1.94 0.22 114.58 121.75 3djr h GLU 51 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3djr h GLU 51 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3djr h GLU 51 CO 0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3djr n SER 52 N -2.40 3.41 -0.04 1.42 3.41 -1.26 -4.77 113.62 113.38 3djr n SER 52 Ca 0.01 -1.98 -0.01 0.00 -0.26 0.00 0.00 58.87 56.64 3djr n SER 52 Cb 0.21 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3djr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djr n GLY 53 N 1.52 0.48 3.61 5.00 0.00 0.77 -4.82 105.19 111.74 3djr n GLY 53 Ca 0.21 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3djr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djr s GLU 54 N -0.88 2.77 -0.17 1.61 2.02 -1.26 0.03 118.70 122.81 3djr s GLU 54 Ca 0.00 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 3djr s GLU 54 Cb 0.00 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 3djr s GLU 54 CO 0.00 0.66 -0.09 -1.17 0.02 0.00 0.00 175.26 174.68 3djr s LEU 55 N -0.95 2.80 0.00 1.80 2.96 0.71 -0.18 118.68 125.84 3djr s LEU 55 Ca 0.14 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3djr s LEU 55 Cb -0.11 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3djr s LEU 55 CO 0.03 0.08 0.00 1.41 -1.32 0.00 0.00 176.35 176.55 3djr n HIS 56 N 4.09 0.00 -2.45 5.38 8.25 -1.26 -1.96 115.22 127.27 3djr n HIS 56 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 3djr n HIS 56 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 3djr n HIS 56 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3djr s GLY 57 N 0.00 1.00 0.00 -1.41 0.00 -1.26 -4.65 107.32 100.99 3djr s GLY 57 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.14 3djr s GLY 57 CO 0.00 2.70 0.54 1.42 0.00 0.00 0.00 173.10 177.75 3djr n HIS 58 N 9.09 0.00 -4.80 1.90 8.25 -1.26 -5.02 115.22 123.38 3djr n HIS 58 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 3djr n HIS 58 Cb 0.49 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.46 3djr n HIS 58 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3djr s THR 59 N -1.20 2.55 0.38 1.59 -4.23 -1.26 -4.98 115.64 108.49 3djr s THR 59 Ca 0.06 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 3djr s THR 59 Cb 0.06 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 3djr s THR 59 CO 0.20 0.38 0.47 0.42 -0.54 0.00 0.00 174.62 175.56 3djr s THR 60 N -0.85 3.30 0.32 3.99 -4.23 -1.26 -4.61 115.64 112.30 3djr s THR 60 Ca 0.13 -1.11 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 3djr s THR 60 Cb -0.10 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.65 3djr s THR 60 CO 0.03 -0.07 1.74 -0.08 -0.54 0.00 0.00 174.62 175.71 3djr h GLU 61 N 0.86 0.15 -0.27 3.99 4.81 -1.99 -2.45 114.58 119.69 3djr h GLU 61 Ca -0.42 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 58.56 3djr h GLU 61 Cb 1.27 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3djr h GLU 61 CO 0.51 0.54 -0.53 1.49 -0.73 0.00 0.00 179.01 180.28 3djr h GLU 62 N 0.13 0.79 0.00 1.92 4.81 -2.04 -3.20 114.58 116.99 3djr h GLU 62 Ca 0.01 -0.49 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 3djr h GLU 62 Cb 0.77 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3djr h GLU 62 CO 0.06 1.12 -0.18 1.49 -0.73 0.00 0.00 179.01 180.77 3djr h GLU 63 N 0.61 0.00 -3.46 1.92 4.81 -1.95 -3.37 114.58 113.14 3djr h GLU 63 Ca 0.02 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.49 3djr h GLU 63 Cb 1.12 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 3djr h GLU 63 CO 0.11 0.18 2.06 0.34 -0.73 0.00 0.00 179.01 180.98 3djr n PHE 64 N -3.16 2.91 -2.04 0.92 7.35 -0.93 -4.95 117.46 117.55 3djr n PHE 64 Ca 0.03 -2.79 -0.28 0.00 -0.76 0.00 0.00 57.45 53.65 3djr n PHE 64 Cb 0.57 -1.95 0.11 0.00 0.35 0.00 0.00 39.48 38.56 3djr n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djr s VAL 65 N 0.34 2.09 0.81 -2.13 -7.23 -1.26 -4.95 120.40 108.07 3djr s VAL 65 Ca 0.40 -0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 3djr s VAL 65 Cb 0.10 -2.97 0.08 0.00 0.56 0.00 0.00 36.38 34.15 3djr s VAL 65 CO -0.00 0.00 1.12 -1.83 -0.31 0.00 0.00 175.10 174.08 3djr s GLU 66 N -5.53 1.87 0.00 4.82 -1.05 -1.26 -4.82 118.70 112.73 3djr s GLU 66 Ca 0.64 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.83 3djr s GLU 66 Cb -0.09 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 3djr s GLU 66 CO 0.48 -1.97 0.00 0.41 0.95 0.00 0.00 175.26 175.14 3djr n GLY 67 N -0.53 -1.46 3.57 -3.83 0.00 -1.14 -4.98 105.19 96.82 3djr n GLY 67 Ca 0.10 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3djr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djr s ILE 68 N -2.76 4.84 0.14 -0.61 1.01 -1.26 -0.86 121.20 121.70 3djr s ILE 68 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.73 3djr s ILE 68 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3djr s ILE 68 CO 0.00 0.36 -0.10 -0.31 0.00 0.00 0.00 174.94 174.88 3djr s TYR 69 N 1.16 2.67 -0.09 3.97 1.51 0.13 -1.13 117.35 125.57 3djr s TYR 69 Ca 0.06 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3djr s TYR 69 Cb -0.14 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3djr s TYR 69 CO 0.04 0.46 -0.09 0.21 -1.11 0.00 0.00 175.55 175.07 3djr s LYS 70 N -2.51 1.51 -0.28 -0.62 2.20 0.64 -0.98 119.74 119.71 3djr s LYS 70 Ca 0.23 -0.29 -0.07 0.00 -0.36 0.00 0.00 55.97 55.47 3djr s LYS 70 Cb -0.10 -1.45 -0.01 0.00 -1.51 0.00 0.00 37.83 34.77 3djr s LYS 70 CO 0.14 -0.14 0.08 0.08 -0.36 0.00 0.00 175.35 175.15 3djr s VAL 71 N 1.27 4.14 -0.16 4.02 1.01 0.11 0.21 120.40 130.99 3djr s VAL 71 Ca -0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3djr s VAL 71 Cb -0.14 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3djr s VAL 71 CO -0.03 0.19 -0.12 -0.70 0.00 0.00 0.00 175.10 174.44 3djr s GLU 72 N 1.55 3.32 -0.21 2.72 2.12 0.14 0.18 118.70 128.52 3djr s GLU 72 Ca 0.04 -0.69 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 3djr s GLU 72 Cb -0.16 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 3djr s GLU 72 CO 0.03 0.03 -0.03 0.42 -0.54 0.00 0.00 175.26 175.18 3djr s ILE 73 N 0.81 3.63 -1.24 -3.70 1.01 0.20 -0.85 121.20 121.05 3djr s ILE 73 Ca -0.04 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 3djr s ILE 73 Cb -0.15 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3djr s ILE 73 CO 0.01 0.43 1.98 -0.67 0.00 0.00 0.00 174.94 176.68 3djr n ASP 74 N 4.51 3.85 -0.06 3.58 2.03 0.06 -1.01 116.55 129.51 3djr n ASP 74 Ca -0.18 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.21 3djr n ASP 74 Cb 0.51 -1.60 0.04 0.00 -0.72 0.00 0.00 41.12 39.35 3djr n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3djr h THR 75 N 4.90 1.29 -0.28 5.18 1.35 -1.87 -3.16 112.91 120.32 3djr h THR 75 Ca 0.45 -1.59 0.03 0.00 -0.55 0.00 0.00 66.41 64.75 3djr h THR 75 Cb 0.76 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 3djr h THR 75 CO 1.67 0.52 0.08 0.50 -0.25 0.00 0.00 175.52 178.04 3djr h LYS 76 N 0.61 0.19 -0.33 4.72 3.64 -1.72 -1.44 116.57 122.24 3djr h LYS 76 Ca 0.05 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3djr h LYS 76 Cb 0.97 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3djr h LYS 76 CO 0.09 0.13 0.04 0.77 -2.27 0.00 0.00 179.45 178.21 3djr h SER 77 N 0.20 0.45 0.03 4.20 0.02 -1.85 -1.78 113.55 114.82 3djr h SER 77 Ca 0.13 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3djr h SER 77 Cb 0.11 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3djr h SER 77 CO -0.15 0.49 -0.01 0.22 -1.14 0.00 0.00 176.83 176.24 3djr h TYR 78 N 0.48 -0.03 -0.42 3.45 3.20 -1.38 -1.94 116.97 120.33 3djr h TYR 78 Ca 0.11 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3djr h TYR 78 Cb 0.25 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3djr h TYR 78 CO 0.01 0.12 -0.02 -1.49 -1.64 0.00 0.00 178.16 175.14 3djr h TRP 79 N -0.18 0.83 -0.82 -3.82 4.06 -1.02 -3.08 115.95 111.92 3djr h TRP 79 Ca -0.00 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.80 3djr h TRP 79 Cb 0.17 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 3djr h TRP 79 CO -0.03 0.84 0.53 0.87 -3.56 0.00 0.00 178.44 177.09 3djr h LYS 80 N 0.59 1.09 0.00 0.49 1.57 -0.96 -0.18 116.57 119.17 3djr h LYS 80 Ca 0.12 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3djr h LYS 80 Cb 0.52 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3djr h LYS 80 CO 0.03 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 3djr n ALA 81 N -2.34 1.14 0.49 3.86 0.00 -0.73 -1.18 120.51 121.75 3djr n ALA 81 Ca 0.08 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.64 3djr n ALA 81 Cb 0.03 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 18.43 3djr n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3djr n LEU 82 N -1.73 2.38 0.00 0.00 4.77 -0.18 -4.97 117.00 117.27 3djr n LEU 82 Ca 0.00 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 3djr n LEU 82 Cb 0.05 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3djr n LEU 82 CO 0.05 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3djr n GLY 83 N 0.83 0.83 3.46 -0.72 0.00 -0.33 -5.06 105.19 104.21 3djr n GLY 83 Ca 0.10 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3djr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djr s ILE 84 N -2.00 3.12 -0.56 -0.61 1.01 -0.59 -4.99 121.20 116.59 3djr s ILE 84 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3djr s ILE 84 Cb 0.00 -2.25 0.12 0.00 0.01 0.00 0.00 42.46 40.34 3djr s ILE 84 CO 0.00 0.58 0.57 -0.44 0.00 0.00 0.00 174.94 175.65 3djr s SER 85 N -0.50 6.19 0.48 3.58 0.01 -1.26 -2.40 113.70 119.80 3djr s SER 85 Ca 0.07 -1.64 -0.06 0.00 1.31 0.00 0.00 55.95 55.63 3djr s SER 85 Cb -0.12 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3djr s SER 85 CO 0.02 -0.95 0.80 -2.16 0.41 0.00 0.00 173.24 171.36 3djr s PRO 86 N 2.01 3.56 0.03 12.44 0.04 -1.26 -4.99 135.00 146.83 3djr s PRO 86 Ca 0.06 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 3djr s PRO 86 Cb -0.28 -2.36 -0.17 0.00 0.04 0.00 0.00 34.50 31.74 3djr s PRO 86 CO 0.04 -0.21 1.28 0.35 0.04 0.00 0.00 177.00 178.50 3djr h PHE 87 N 0.27 -1.00 -3.99 0.56 3.57 -1.71 -3.46 116.94 111.18 3djr h PHE 87 Ca -0.47 -0.02 -0.46 0.00 3.53 0.00 0.00 57.97 60.55 3djr h PHE 87 Cb 1.20 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 40.27 3djr h PHE 87 CO 0.59 -0.62 0.37 -1.01 -2.23 0.00 0.00 178.31 175.40 3djr s HIS 88 N -5.10 3.35 0.10 0.41 3.76 -1.26 -4.99 115.29 111.55 3djr s HIS 88 Ca -0.16 1.66 -0.14 0.00 -0.15 0.00 0.00 55.06 56.27 3djr s HIS 88 Cb 0.02 -2.97 -0.12 0.00 1.11 0.00 0.00 32.58 30.62 3djr s HIS 88 CO 0.47 -0.27 1.36 0.93 -0.85 0.00 0.00 174.74 176.38 3djr h GLU 89 N 2.32 0.74 -2.70 1.40 4.39 -1.98 -3.37 114.58 115.39 3djr h GLU 89 Ca -0.48 -0.49 0.09 0.00 0.34 0.00 0.00 59.36 58.82 3djr h GLU 89 Cb 1.20 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 3djr h GLU 89 CO 0.62 1.11 0.34 -3.38 -1.16 0.00 0.00 179.01 176.54 3djr s HIS 90 N -4.06 -0.25 -0.21 4.33 -3.43 -1.26 -3.25 115.29 107.16 3djr s HIS 90 Ca -0.12 -0.08 -0.09 0.00 -0.80 0.00 0.00 55.06 53.97 3djr s HIS 90 Cb 0.09 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.83 3djr s HIS 90 CO 0.86 -0.95 0.12 0.00 -2.00 0.00 0.00 174.74 172.77 3djr s ALA 91 N -3.59 3.57 -0.11 -1.38 0.00 -0.18 -4.88 121.76 115.20 3djr s ALA 91 Ca 0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 3djr s ALA 91 Cb -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3djr s ALA 91 CO 0.00 -0.01 -0.05 -1.21 0.00 0.00 0.00 175.76 174.50 3djr s GLU 92 N 0.70 3.16 -0.18 0.00 2.02 -1.26 0.60 118.70 123.75 3djr s GLU 92 Ca 0.07 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.54 3djr s GLU 92 Cb -0.13 -2.75 0.04 0.00 0.10 0.00 0.00 34.13 31.40 3djr s GLU 92 CO 0.01 0.49 -0.09 0.08 0.02 0.00 0.00 175.26 175.78 3djr s VAL 93 N -0.33 1.42 -0.15 2.63 1.01 0.13 -4.98 120.40 120.13 3djr s VAL 93 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3djr s VAL 93 Cb -0.12 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3djr s VAL 93 CO 0.02 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.46 3djr s VAL 94 N 1.50 2.67 0.10 2.92 1.01 -1.26 0.07 120.40 127.42 3djr s VAL 94 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 3djr s VAL 94 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3djr s VAL 94 CO -0.08 0.52 0.35 0.72 0.00 0.00 0.00 175.10 176.61 3djr s PHE 95 N 0.71 -0.13 -0.07 5.22 -0.71 -0.15 -4.98 117.98 117.88 3djr s PHE 95 Ca -0.07 -0.18 -0.22 0.00 -1.04 0.00 0.00 56.93 55.42 3djr s PHE 95 Cb -0.16 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 3djr s PHE 95 CO 0.01 -0.64 0.66 0.99 -1.34 0.00 0.00 175.22 174.90 3djr s THR 96 N -3.62 5.06 0.15 -4.49 2.01 -1.26 0.22 115.64 113.70 3djr s THR 96 Ca 0.02 1.35 0.08 0.00 0.31 0.00 0.00 61.69 63.45 3djr s THR 96 Cb 0.02 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3djr s THR 96 CO -0.10 0.28 -0.11 0.00 -0.69 0.00 0.00 174.62 174.00 3djr s ALA 97 N 0.68 2.92 -0.59 7.40 0.00 -0.04 -4.78 121.76 127.35 3djr s ALA 97 Ca 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3djr s ALA 97 Cb -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3djr s ALA 97 CO 0.17 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.56 3djr n ASN 98 N 0.37 -2.16 -0.07 0.00 3.02 -1.26 -2.86 115.26 112.30 3djr n ASN 98 Ca -0.12 0.27 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 3djr n ASN 98 Cb 0.54 -2.04 0.40 0.00 -0.61 0.00 0.00 39.78 38.07 3djr n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3djr n ASP 99 N -0.90 0.21 -1.13 6.41 5.75 -1.26 -2.12 116.55 123.51 3djr n ASP 99 Ca -0.07 -1.59 0.03 0.00 -0.01 0.00 0.00 54.79 53.14 3djr n ASP 99 Cb 0.42 -0.02 0.12 0.00 -1.03 0.00 0.00 41.12 40.62 3djr n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3djr n SER 100 N -0.58 1.74 0.00 -1.12 7.64 -1.26 -5.10 113.62 114.93 3djr n SER 100 Ca 0.11 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.82 3djr n SER 100 Cb 0.08 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 3djr n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djr n GLY 101 N -0.52 1.40 3.72 0.23 0.00 -0.90 -5.01 105.19 104.11 3djr n GLY 101 Ca 0.16 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3djr n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3djr s PRO 102 N -1.98 4.33 0.29 1.61 0.02 -1.26 -4.32 135.00 133.69 3djr s PRO 102 Ca 0.00 2.07 0.07 0.00 0.02 0.00 0.00 61.00 63.16 3djr s PRO 102 Cb 0.00 -3.24 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 3djr s PRO 102 CO 0.00 -0.40 -0.08 1.03 -0.33 0.00 0.00 177.00 177.22 3djr s ARG 103 N 0.87 1.60 -0.14 5.54 1.81 -1.26 -4.91 118.95 122.46 3djr s ARG 103 Ca 0.63 -1.81 -0.14 0.00 -1.72 0.00 0.00 55.73 52.70 3djr s ARG 103 Cb -0.37 -1.29 -0.05 0.00 -0.45 0.00 0.00 34.95 32.80 3djr s ARG 103 CO 0.32 0.08 0.30 1.03 -0.68 0.00 0.00 175.30 176.35 3djr s ARG 104 N -3.69 4.17 -0.12 3.54 0.52 -0.25 -4.87 118.95 118.25 3djr s ARG 104 Ca 0.30 0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.64 3djr s ARG 104 Cb 0.03 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.10 3djr s ARG 104 CO 0.13 0.32 -0.17 0.71 0.02 0.00 0.00 175.30 176.30 3djr s TYR 105 N 0.23 2.72 -0.20 -0.53 1.51 0.71 -1.69 117.35 120.10 3djr s TYR 105 Ca 0.17 -0.83 -0.04 0.00 -1.01 0.00 0.00 57.07 55.37 3djr s TYR 105 Cb -0.13 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3djr s TYR 105 CO 0.05 -0.31 -0.04 0.99 -1.11 0.00 0.00 175.55 175.13 3djr s THR 106 N 0.39 3.54 -0.30 -0.71 2.01 0.10 -0.91 115.64 119.77 3djr s THR 106 Ca -0.13 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 3djr s THR 106 Cb -0.17 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3djr s THR 106 CO 0.06 0.44 0.19 -0.63 -0.69 0.00 0.00 174.62 173.99 3djr s ILE 107 N 1.13 5.13 -0.13 1.82 -1.09 0.28 -1.01 121.20 127.34 3djr s ILE 107 Ca 0.02 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 3djr s ILE 107 Cb -0.15 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3djr s ILE 107 CO -0.00 0.16 0.02 0.00 -1.23 0.00 0.00 174.94 173.88 3djr s ALA 108 N 1.72 3.28 -0.03 9.38 0.00 0.61 -0.48 121.76 136.24 3djr s ALA 108 Ca 0.06 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3djr s ALA 108 Cb -0.16 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 3djr s ALA 108 CO 0.10 0.41 -0.14 0.00 0.00 0.00 0.00 175.76 176.12 3djr s ALA 109 N -0.30 1.25 -0.22 0.00 0.00 0.24 -0.23 121.76 122.50 3djr s ALA 109 Ca 0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 3djr s ALA 109 Cb -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3djr s ALA 109 CO 0.02 0.23 -0.09 -1.17 0.00 0.00 0.00 175.76 174.74 3djr s LEU 110 N 0.06 2.77 -0.15 0.00 2.96 -0.01 -0.69 118.68 123.62 3djr s LEU 110 Ca -0.02 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 3djr s LEU 110 Cb -0.10 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3djr s LEU 110 CO 0.01 -0.05 0.02 -0.76 -1.32 0.00 0.00 176.35 174.25 3djr s LEU 111 N 1.37 3.61 0.18 -0.68 1.43 0.93 -1.39 118.68 124.14 3djr s LEU 111 Ca 0.04 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 3djr s LEU 111 Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3djr s LEU 111 CO -0.07 0.22 -0.14 -0.44 0.23 0.00 0.00 176.35 176.16 3djr s SER 112 N 0.09 2.37 0.30 2.29 0.01 0.86 -0.55 113.70 119.07 3djr s SER 112 Ca 0.03 -0.99 0.05 0.00 1.31 0.00 0.00 55.95 56.35 3djr s SER 112 Cb -0.13 -0.11 0.72 0.00 0.21 0.00 0.00 66.02 66.71 3djr s SER 112 CO 0.02 -0.19 1.78 -0.65 0.41 0.00 0.00 173.24 174.60 3djr h PRO 113 N 2.74 0.74 -0.15 12.44 0.11 -1.99 -2.65 132.00 143.24 3djr h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3djr h PRO 113 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3djr h PRO 113 CO 0.61 0.49 0.00 0.66 -0.21 0.00 0.00 178.00 179.55 3djr n TYR 114 N -4.77 0.53 -3.58 0.65 4.02 -1.26 -1.75 117.16 111.00 3djr n TYR 114 Ca 0.23 -0.93 -0.16 0.00 -0.01 0.00 0.00 57.90 57.04 3djr n TYR 114 Cb 0.55 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.57 3djr n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djr s SER 115 N -2.33 -0.70 0.09 7.72 0.15 -1.00 -4.96 113.70 112.66 3djr s SER 115 Ca 0.38 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 58.04 3djr s SER 115 Cb 0.31 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 3djr s SER 115 CO 0.06 -0.40 0.22 -0.72 1.20 0.00 0.00 173.24 173.60 3djr s TYR 116 N -0.31 0.09 0.11 3.44 -0.85 -1.26 -0.10 117.35 118.47 3djr s TYR 116 Ca -0.05 -0.47 0.04 0.00 -0.52 0.00 0.00 57.07 56.08 3djr s TYR 116 Cb -0.03 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 3djr s TYR 116 CO 0.05 -0.55 -0.11 -1.54 -1.52 0.00 0.00 175.55 171.88 3djr s SER 117 N -2.73 1.60 0.00 -0.18 1.04 -0.48 -4.96 113.70 107.99 3djr s SER 117 Ca 0.03 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.62 3djr s SER 117 Cb 0.04 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3djr s SER 117 CO -0.10 -0.25 -0.03 0.28 0.98 0.00 0.00 173.24 174.12 3djr s THR 118 N -2.54 0.19 0.02 2.02 -1.32 -1.26 -0.83 115.64 111.92 3djr s THR 118 Ca 0.08 -0.25 0.01 0.00 -1.21 0.00 0.00 61.69 60.32 3djr s THR 118 Cb -0.02 -0.20 -0.01 0.00 -1.51 0.00 0.00 72.50 70.76 3djr s THR 118 CO 0.01 -0.04 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.44 3djr s THR 119 N -0.29 0.35 -0.14 5.08 2.01 0.68 -4.96 115.64 118.38 3djr s THR 119 Ca -0.02 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3djr s THR 119 Cb -0.02 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 3djr s THR 119 CO -0.00 -0.17 -0.07 0.00 -0.69 0.00 0.00 174.62 173.69 3djr s ALA 120 N -0.76 2.90 -0.22 7.40 0.00 -1.26 -0.28 121.76 129.53 3djr s ALA 120 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 3djr s ALA 120 Cb -0.06 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.65 3djr s ALA 120 CO -0.00 0.26 -0.10 0.08 0.00 0.00 0.00 175.76 176.00 3djr s VAL 121 N 0.24 2.77 -0.18 0.00 1.01 -0.18 -4.97 120.40 119.10 3djr s VAL 121 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3djr s VAL 121 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3djr s VAL 121 CO 0.04 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 174.61 3djr s VAL 122 N 1.35 2.19 0.13 2.92 1.01 -1.26 0.02 120.40 126.76 3djr s VAL 122 Ca 0.03 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3djr s VAL 122 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3djr s VAL 122 CO -0.07 0.53 -0.18 0.42 0.00 0.00 0.00 175.10 175.80 3djr s THR 123 N 1.30 1.67 -2.48 3.92 -4.23 -0.68 -4.98 115.64 110.16 3djr s THR 123 Ca 0.05 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 59.10 3djr s THR 123 Cb -0.13 -1.67 0.56 0.00 1.34 0.00 0.00 72.50 72.60 3djr s THR 123 CO -0.12 -0.25 1.76 -3.20 -0.54 0.00 0.00 174.62 172.27