#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djt n PRO 11 N 0.00 0.83 -3.39 0.00 -0.04 -1.26 -4.62 135.00 126.51 3djt n PRO 11 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 3djt n PRO 11 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3djt n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djt s LEU 12 N -2.16 -1.18 0.03 1.53 2.96 -1.24 -0.98 118.68 117.65 3djt s LEU 12 Ca 0.42 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.50 3djt s LEU 12 Cb 0.21 2.16 -0.02 0.00 0.50 0.00 0.00 46.19 49.03 3djt s LEU 12 CO 0.39 -0.22 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.82 3djt s MET 13 N 2.85 0.44 -0.03 1.98 -2.45 0.13 -4.57 119.30 117.64 3djt s MET 13 Ca 0.06 -0.72 0.06 0.00 -1.25 0.00 0.00 55.69 53.85 3djt s MET 13 Cb -0.13 -0.09 -0.01 0.00 1.25 0.00 0.00 34.83 35.85 3djt s MET 13 CO -0.19 -0.00 -0.21 0.08 1.05 0.00 0.00 175.02 175.74 3djt s VAL 14 N -1.55 1.68 -0.05 10.11 1.01 -1.12 0.14 120.40 130.62 3djt s VAL 14 Ca -0.12 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3djt s VAL 14 Cb -0.09 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3djt s VAL 14 CO -0.01 0.48 -0.12 -0.75 0.00 0.00 0.00 175.10 174.70 3djt s LYS 15 N -0.36 1.49 -0.01 2.72 2.20 0.17 -0.59 119.74 125.36 3djt s LYS 15 Ca 0.05 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.33 3djt s LYS 15 Cb -0.09 -1.27 -0.02 0.00 -1.51 0.00 0.00 37.83 34.94 3djt s LYS 15 CO 0.00 0.06 -0.21 0.08 -0.36 0.00 0.00 175.35 174.93 3djt s VAL 16 N 0.52 1.62 0.08 4.02 1.01 0.48 0.50 120.40 128.63 3djt s VAL 16 Ca -0.11 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.05 3djt s VAL 16 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3djt s VAL 16 CO 0.03 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 3djt s LEU 17 N -0.52 2.26 -0.33 3.92 1.43 -0.53 -1.88 118.68 123.03 3djt s LEU 17 Ca 0.08 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 3djt s LEU 17 Cb -0.08 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 3djt s LEU 17 CO -0.01 0.05 0.40 -0.62 0.23 0.00 0.00 176.35 176.40 3djt s ASP 18 N -1.67 6.23 0.25 2.29 -1.08 0.16 -2.24 116.67 120.61 3djt s ASP 18 Ca 0.04 -0.10 0.25 0.00 -0.52 0.00 0.00 52.55 52.23 3djt s ASP 18 Cb -0.10 -2.22 0.63 0.00 -1.46 0.00 0.00 42.92 39.78 3djt s ASP 18 CO 0.03 -0.35 1.67 0.00 0.52 0.00 0.00 175.17 177.04 3djt h ALA 19 N 8.42 0.94 0.13 3.66 0.00 -1.70 0.16 119.26 130.87 3djt h ALA 19 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.26 3djt h ALA 19 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3djt h ALA 19 CO 0.71 0.00 -1.89 0.28 0.00 0.00 0.00 179.25 178.35 3djt h VAL 20 N 0.00 0.75 0.00 0.00 2.07 -1.93 -3.39 116.25 113.75 3djt h VAL 20 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 3djt h VAL 20 Cb 0.81 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 3djt h VAL 20 CO 0.00 0.86 -1.38 0.54 0.02 0.00 0.00 177.57 177.61 3djt n ARG 21 N -3.48 0.31 -3.30 1.57 1.74 -1.24 -5.03 116.66 107.23 3djt n ARG 21 Ca -0.28 -0.08 -0.16 0.00 -0.77 0.00 0.00 57.85 56.56 3djt n ARG 21 Cb 1.06 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 31.04 3djt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djt n GLY 22 N 1.38 -1.07 3.61 -0.13 0.00 0.51 -5.01 105.19 104.47 3djt n GLY 22 Ca 0.01 0.53 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 3djt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djt s SER 23 N -3.50 -0.35 0.50 1.61 1.04 -0.97 -5.02 113.70 107.02 3djt s SER 23 Ca 0.41 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 3djt s SER 23 Cb -0.06 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 3djt s SER 23 CO 0.75 -1.13 1.31 -2.16 0.98 0.00 0.00 173.24 172.99 3djt s PRO 24 N -3.85 3.41 -0.48 4.02 0.04 -1.26 0.38 135.00 137.25 3djt s PRO 24 Ca 0.08 2.14 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 3djt s PRO 24 Cb -0.03 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.18 3djt s PRO 24 CO -0.02 -0.95 0.63 0.00 0.04 0.00 0.00 177.00 176.70 3djt s ALA 25 N -1.35 3.36 0.13 8.56 0.00 -0.78 -4.55 121.76 127.13 3djt s ALA 25 Ca 0.67 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 3djt s ALA 25 Cb -0.38 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3djt s ALA 25 CO 0.46 -1.92 0.51 0.42 0.00 0.00 0.00 175.76 175.23 3djt s ILE 26 N 2.72 4.92 -1.64 0.00 1.01 -1.26 -4.26 121.20 122.69 3djt s ILE 26 Ca 0.18 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3djt s ILE 26 Cb -0.17 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3djt s ILE 26 CO 0.15 0.24 0.00 0.59 0.00 0.00 0.00 174.94 175.92 3djt n ASN 27 N 0.79 -4.94 -4.68 3.58 5.03 -0.78 -4.97 115.26 109.30 3djt n ASN 27 Ca -0.06 0.28 -0.43 0.00 0.87 0.00 0.00 54.58 55.25 3djt n ASN 27 Cb 0.52 -3.93 -0.02 0.00 -1.02 0.00 0.00 39.78 35.32 3djt n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3djt s VAL 28 N -2.67 4.48 0.01 2.41 1.01 -1.26 -4.76 120.40 119.62 3djt s VAL 28 Ca 0.00 1.78 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 3djt s VAL 28 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3djt s VAL 28 CO 0.00 -0.06 0.53 0.00 0.00 0.00 0.00 175.10 175.57 3djt s ALA 29 N 2.60 3.57 0.02 5.51 0.00 -1.26 -0.34 121.76 131.87 3djt s ALA 29 Ca 0.51 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3djt s ALA 29 Cb -0.21 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 3djt s ALA 29 CO 0.16 0.31 -0.04 -1.64 0.00 0.00 0.00 175.76 174.55 3djt s MET 30 N -0.65 0.34 -0.08 0.00 -1.94 0.32 -1.16 119.30 116.14 3djt s MET 30 Ca 0.28 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.69 3djt s MET 30 Cb -0.18 -0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.66 3djt s MET 30 CO 0.16 -0.02 -0.13 -1.01 -0.01 0.00 0.00 175.02 174.01 3djt s HIS 31 N -1.29 1.62 -0.13 -0.03 3.76 -0.26 -0.21 115.29 118.75 3djt s HIS 31 Ca -0.13 -0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 54.10 3djt s HIS 31 Cb -0.09 -1.18 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 3djt s HIS 31 CO -0.01 -0.32 0.03 0.08 -0.85 0.00 0.00 174.74 173.68 3djt s VAL 32 N 0.72 4.58 0.21 -0.90 1.01 0.42 -0.55 120.40 125.89 3djt s VAL 32 Ca -0.13 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3djt s VAL 32 Cb -0.16 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3djt s VAL 32 CO 0.03 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.15 3djt s PHE 33 N -0.30 1.85 -0.03 5.22 0.40 0.48 -0.49 117.98 125.11 3djt s PHE 33 Ca 0.08 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 3djt s PHE 33 Cb -0.12 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.56 3djt s PHE 33 CO 0.02 0.43 -0.07 0.50 0.70 0.00 0.00 175.22 176.80 3djt s ARG 34 N -3.50 0.84 -0.49 0.44 3.52 0.28 -1.00 118.95 119.04 3djt s ARG 34 Ca 0.23 -0.24 -0.28 0.00 -0.13 0.00 0.00 55.73 55.31 3djt s ARG 34 Cb -0.02 -0.80 0.01 0.00 -1.56 0.00 0.00 34.95 32.58 3djt s ARG 34 CO 0.08 0.07 1.38 0.21 -0.81 0.00 0.00 175.30 176.23 3djt s LYS 35 N 0.31 3.47 0.94 5.12 2.20 -0.01 0.25 119.74 132.02 3djt s LYS 35 Ca -0.04 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 56.14 3djt s LYS 35 Cb -0.09 -4.06 0.16 0.00 -1.51 0.00 0.00 37.83 32.33 3djt s LYS 35 CO 0.00 -1.72 1.12 0.00 -0.36 0.00 0.00 175.35 174.39 3djt s ALA 36 N 5.62 1.22 0.58 3.13 0.00 0.19 -4.78 121.76 127.72 3djt s ALA 36 Ca 0.56 0.39 0.29 0.00 0.00 0.00 0.00 51.96 53.19 3djt s ALA 36 Cb -0.12 -3.38 1.51 0.00 0.00 0.00 0.00 23.12 21.13 3djt s ALA 36 CO 0.29 -2.82 1.94 0.00 0.00 0.00 0.00 175.76 175.18 3djt h ALA 37 N -1.91 2.13 -0.36 0.00 0.00 -1.95 0.27 119.26 117.45 3djt h ALA 37 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3djt h ALA 37 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3djt h ALA 37 CO 0.45 -0.63 0.00 -0.40 0.00 0.00 0.00 179.25 178.67 3djt n ASP 38 N -3.78 2.12 -0.89 0.00 5.75 -1.26 -4.94 116.55 113.55 3djt n ASP 38 Ca 0.07 -1.95 -0.10 0.00 -0.01 0.00 0.00 54.79 52.81 3djt n ASP 38 Cb 0.60 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.42 3djt n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3djt n ASP 39 N 0.65 -3.99 -4.91 -1.12 9.92 0.93 -5.05 116.55 112.98 3djt n ASP 39 Ca 0.14 0.18 -0.21 0.00 -0.53 0.00 0.00 54.79 54.37 3djt n ASP 39 Cb 0.35 -2.64 -0.02 0.00 -0.64 0.00 0.00 41.12 38.16 3djt n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3djt s THR 40 N -2.42 4.27 -0.73 -3.53 -4.23 -1.26 -4.86 115.64 102.89 3djt s THR 40 Ca 0.00 -1.18 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 3djt s THR 40 Cb 0.00 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.48 3djt s THR 40 CO 0.00 -0.24 1.00 0.26 -0.54 0.00 0.00 174.62 175.10 3djt s TRP 41 N -2.16 2.79 0.09 3.99 0.52 -1.26 0.55 118.94 123.46 3djt s TRP 41 Ca 0.39 -0.77 -0.31 0.00 0.02 0.00 0.00 56.10 55.43 3djt s TRP 41 Cb -0.08 -4.29 -0.06 0.00 -1.15 0.00 0.00 33.47 27.88 3djt s TRP 41 CO 0.28 -1.61 1.23 -1.21 0.02 0.00 0.00 176.95 175.66 3djt s GLU 42 N 3.71 4.42 0.41 4.98 2.02 0.14 -4.80 118.70 129.59 3djt s GLU 42 Ca 0.25 1.84 -0.25 0.00 0.02 0.00 0.00 54.97 56.83 3djt s GLU 42 Cb -0.14 -3.31 -0.11 0.00 0.10 0.00 0.00 34.13 30.68 3djt s GLU 42 CO 0.05 -0.25 1.10 -2.30 0.02 0.00 0.00 175.26 173.88 3djt n PRO 43 N 3.65 1.56 0.00 0.39 -0.02 -1.26 0.98 135.00 140.30 3djt n PRO 43 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3djt n PRO 43 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3djt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djt n PHE 44 N -0.33 0.00 0.00 6.00 7.35 0.36 -4.69 117.46 126.15 3djt n PHE 44 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 3djt n PHE 44 Cb 0.39 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.22 3djt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djt n ALA 45 N -1.69 0.00 -3.08 3.13 0.00 -0.92 -5.00 120.51 112.95 3djt n ALA 45 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3djt n ALA 45 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 3djt n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3djt s SER 46 N 0.00 -0.17 -0.01 0.00 1.04 -1.26 0.16 113.70 113.46 3djt s SER 46 Ca 0.00 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 3djt s SER 46 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.52 3djt s SER 46 CO 0.00 -0.60 0.53 0.61 0.98 0.00 0.00 173.24 174.76 3djt n GLY 47 N 0.68 0.47 3.06 7.32 0.00 0.70 -5.00 105.19 112.42 3djt n GLY 47 Ca -0.19 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 3djt n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djt s LYS 48 N -2.01 1.63 0.51 1.61 2.20 -1.26 0.12 119.74 122.55 3djt s LYS 48 Ca 0.12 -0.47 -0.23 0.00 -0.36 0.00 0.00 55.97 55.04 3djt s LYS 48 Cb -0.00 -1.39 -0.06 0.00 -1.51 0.00 0.00 37.83 34.87 3djt s LYS 48 CO -0.00 0.11 1.34 0.95 -0.36 0.00 0.00 175.35 177.39 3djt s THR 49 N 0.38 2.24 0.00 3.43 -4.23 0.54 -4.78 115.64 113.22 3djt s THR 49 Ca -0.09 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 3djt s THR 49 Cb -0.13 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3djt s THR 49 CO 0.03 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.57 3djt n SER 50 N -0.75 -0.33 0.11 3.99 3.41 -0.21 -1.86 113.62 117.99 3djt n SER 50 Ca 0.09 -0.76 0.18 0.00 -0.26 0.00 0.00 58.87 58.11 3djt n SER 50 Cb 0.45 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.13 3djt n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3djt h GLU 51 N 0.00 0.00 -0.17 4.33 5.08 -1.93 0.19 114.58 122.08 3djt h GLU 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3djt h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3djt h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 3djt n SER 52 N -4.15 2.19 -0.55 1.42 3.41 -1.26 -4.81 113.62 109.88 3djt n SER 52 Ca 0.05 -1.77 -0.07 0.00 -0.26 0.00 0.00 58.87 56.83 3djt n SER 52 Cb 0.45 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3djt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djt n GLY 53 N 1.25 0.92 3.49 5.00 0.00 0.66 -4.78 105.19 111.73 3djt n GLY 53 Ca 0.17 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 3djt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djt s GLU 54 N -2.47 1.91 -0.12 1.61 2.02 -1.26 -0.39 118.70 119.99 3djt s GLU 54 Ca 0.00 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.90 3djt s GLU 54 Cb 0.00 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 32.10 3djt s GLU 54 CO 0.00 0.50 -0.12 -1.17 0.02 0.00 0.00 175.26 174.49 3djt s LEU 55 N -1.92 1.53 0.37 1.80 2.96 0.25 -1.04 118.68 122.63 3djt s LEU 55 Ca 0.17 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3djt s LEU 55 Cb -0.11 -1.03 -0.07 0.00 0.50 0.00 0.00 46.19 45.49 3djt s LEU 55 CO 0.09 -0.05 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.03 3djt s HIS 56 N 1.38 2.47 -1.27 5.38 3.76 -1.26 -2.81 115.29 122.94 3djt s HIS 56 Ca 0.01 -0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 54.28 3djt s HIS 56 Cb -0.13 -1.56 0.01 0.00 1.11 0.00 0.00 32.58 32.01 3djt s HIS 56 CO -0.07 0.51 1.05 0.41 -0.85 0.00 0.00 174.74 175.79 3djt n GLY 57 N -0.89 -0.43 0.16 -2.22 0.00 -1.26 -4.90 105.19 95.65 3djt n GLY 57 Ca -0.05 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 3djt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3djt h LEU 58 N -2.41 0.22 0.00 0.99 3.38 -1.89 -3.48 115.31 112.12 3djt h LEU 58 Ca -0.52 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3djt h LEU 58 Cb 1.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3djt h LEU 58 CO 0.52 0.77 0.00 1.07 0.09 0.00 0.00 178.44 180.89 3djt n THR 59 N -3.87 0.00 -4.03 0.22 5.66 -1.26 -4.83 114.28 106.17 3djt n THR 59 Ca -0.02 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.89 3djt n THR 59 Cb 0.61 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.30 3djt n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3djt s THR 60 N -2.83 0.14 0.16 1.09 -4.23 -1.26 -4.80 115.64 103.91 3djt s THR 60 Ca 0.00 -1.62 -0.17 0.00 -1.18 0.00 0.00 61.69 58.73 3djt s THR 60 Cb 0.00 -1.70 0.07 0.00 1.34 0.00 0.00 72.50 72.21 3djt s THR 60 CO 0.00 -0.63 1.69 -0.08 -0.54 0.00 0.00 174.62 175.06 3djt h GLU 61 N 2.86 0.06 -0.60 3.99 4.81 -1.99 0.21 114.58 123.91 3djt h GLU 61 Ca -0.34 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3djt h GLU 61 Cb 1.19 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 3djt h GLU 61 CO 0.58 0.04 0.37 1.49 -0.73 0.00 0.00 179.01 180.76 3djt h GLU 62 N 0.06 0.71 0.00 1.92 4.81 -2.04 -3.18 114.58 116.87 3djt h GLU 62 Ca 0.18 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 3djt h GLU 62 Cb 0.27 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3djt h GLU 62 CO -0.34 0.47 -0.60 1.49 -0.73 0.00 0.00 179.01 179.30 3djt h GLU 63 N 0.73 0.00 -4.31 1.92 4.81 -1.91 -3.40 114.58 112.43 3djt h GLU 63 Ca 0.24 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.71 3djt h GLU 63 Cb 0.01 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.18 3djt h GLU 63 CO -0.09 0.39 1.14 0.34 -0.73 0.00 0.00 179.01 180.06 3djt n PHE 64 N -3.14 4.89 -2.66 0.92 7.35 0.04 -4.93 117.46 119.93 3djt n PHE 64 Ca 0.00 -3.47 -0.23 0.00 -0.76 0.00 0.00 57.45 53.00 3djt n PHE 64 Cb 0.72 -2.02 0.11 0.00 0.35 0.00 0.00 39.48 38.63 3djt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djt s VAL 65 N 0.61 2.10 0.27 -2.13 -7.23 -1.26 -4.86 120.40 107.90 3djt s VAL 65 Ca 0.39 -0.66 -0.28 0.00 -1.81 0.00 0.00 61.98 59.62 3djt s VAL 65 Cb -0.04 -2.45 -0.15 0.00 0.56 0.00 0.00 36.38 34.31 3djt s VAL 65 CO -0.02 0.00 0.94 1.21 -0.31 0.00 0.00 175.10 176.92 3djt n GLU 66 N -2.77 1.14 0.00 4.82 2.13 -1.26 -4.79 120.64 119.91 3djt n GLU 66 Ca 0.16 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.38 3djt n GLU 66 Cb 0.61 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.60 3djt n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3djt n GLY 67 N 1.36 -0.57 3.43 8.31 0.00 -1.04 -5.01 105.19 111.67 3djt n GLY 67 Ca 0.11 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3djt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djt s ILE 68 N -2.00 4.26 0.24 -0.61 1.01 -1.26 -1.49 121.20 121.35 3djt s ILE 68 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.50 3djt s ILE 68 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3djt s ILE 68 CO 0.00 0.30 -0.07 -0.31 0.00 0.00 0.00 174.94 174.86 3djt s TYR 69 N 1.60 2.60 -0.06 3.97 1.51 -0.39 -0.83 117.35 125.75 3djt s TYR 69 Ca 0.06 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 3djt s TYR 69 Cb -0.15 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3djt s TYR 69 CO 0.03 0.60 -0.03 0.21 -1.11 0.00 0.00 175.55 175.26 3djt s LYS 70 N -3.36 0.76 -0.26 -0.62 2.20 -0.17 -1.32 119.74 116.97 3djt s LYS 70 Ca 0.29 -0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.79 3djt s LYS 70 Cb -0.07 -0.90 -0.03 0.00 -1.51 0.00 0.00 37.83 35.32 3djt s LYS 70 CO 0.17 -0.17 0.09 0.08 -0.36 0.00 0.00 175.35 175.17 3djt s VAL 71 N 1.32 4.44 -0.26 4.02 1.01 0.01 -0.39 120.40 130.55 3djt s VAL 71 Ca -0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3djt s VAL 71 Cb -0.13 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3djt s VAL 71 CO -0.02 0.28 0.17 -1.61 0.00 0.00 0.00 175.10 173.93 3djt s GLU 72 N 1.63 3.99 -0.25 2.72 2.02 0.29 0.71 118.70 129.80 3djt s GLU 72 Ca 0.06 -0.31 -0.07 0.00 0.02 0.00 0.00 54.97 54.68 3djt s GLU 72 Cb -0.16 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 3djt s GLU 72 CO 0.05 -0.08 0.05 0.42 0.02 0.00 0.00 175.26 175.71 3djt s ILE 73 N 1.48 4.08 -1.30 -1.63 1.01 0.19 -1.10 121.20 123.92 3djt s ILE 73 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 3djt s ILE 73 Cb -0.15 -2.92 0.11 0.00 0.01 0.00 0.00 42.46 39.51 3djt s ILE 73 CO 0.08 0.33 1.76 0.47 0.00 0.00 0.00 174.94 177.58 3djt n ASP 74 N 4.89 4.85 0.03 3.58 10.43 -0.31 -1.11 116.55 138.92 3djt n ASP 74 Ca -0.16 -2.95 -0.17 0.00 2.57 0.00 0.00 54.79 54.08 3djt n ASP 74 Cb 0.51 -1.65 -0.07 0.00 1.84 0.00 0.00 41.12 41.76 3djt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3djt h THR 75 N 4.78 1.32 -0.65 -3.53 1.35 -1.86 -3.28 112.91 111.04 3djt h THR 75 Ca 0.43 -2.22 0.13 0.00 -0.55 0.00 0.00 66.41 64.20 3djt h THR 75 Cb 0.80 2.26 -0.12 0.00 -1.73 0.00 0.00 68.15 69.35 3djt h THR 75 CO 1.50 0.68 -0.16 0.50 -0.25 0.00 0.00 175.52 177.79 3djt h LYS 76 N 0.38 0.00 0.00 4.72 1.63 -1.72 -1.56 116.57 120.02 3djt h LYS 76 Ca -0.09 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 3djt h LYS 76 Cb 1.55 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.17 3djt h LYS 76 CO 0.17 0.00 -0.33 0.77 -3.45 0.00 0.00 179.45 176.62 3djt h SER 77 N 0.00 0.00 -0.04 4.20 0.02 -1.85 -1.95 113.55 113.93 3djt h SER 77 Ca 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3djt h SER 77 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3djt h SER 77 CO -0.66 0.33 0.02 0.22 -1.14 0.00 0.00 176.83 175.59 3djt h TYR 78 N 0.00 0.06 -0.39 3.45 3.20 -1.38 -3.23 116.97 118.68 3djt h TYR 78 Ca -0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3djt h TYR 78 Cb 0.71 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3djt h TYR 78 CO 0.00 0.19 -0.22 -1.49 -1.64 0.00 0.00 178.16 175.00 3djt h TRP 79 N -0.08 0.88 -0.26 -3.82 -0.00 -0.87 -3.17 115.95 108.64 3djt h TRP 79 Ca 0.01 -0.20 0.06 0.00 -0.00 0.00 0.00 58.89 58.76 3djt h TRP 79 Cb 0.15 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.16 29.05 3djt h TRP 79 CO -0.02 0.93 -0.10 0.87 -0.00 0.00 0.00 178.44 180.11 3djt h LYS 80 N 0.68 -0.06 0.00 0.49 1.79 -1.10 0.33 116.57 118.69 3djt h LYS 80 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3djt h LYS 80 Cb 0.74 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3djt h LYS 80 CO 0.06 -0.04 0.14 0.00 -1.08 0.00 0.00 179.45 178.53 3djt h ALA 81 N 1.17 1.12 -0.23 3.86 0.00 -1.56 0.11 119.26 123.73 3djt h ALA 81 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3djt h ALA 81 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3djt h ALA 81 CO -0.30 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.11 3djt n LEU 82 N -2.58 3.33 -0.13 0.00 4.77 -0.89 -4.96 117.00 116.55 3djt n LEU 82 Ca -0.02 -2.71 -0.02 0.00 -0.03 0.00 0.00 56.01 53.23 3djt n LEU 82 Cb 0.19 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3djt n LEU 82 CO 0.12 0.68 -0.02 0.61 -1.33 0.00 0.00 177.39 177.46 3djt n GLY 83 N -0.38 0.53 3.50 -0.72 0.00 0.37 -5.05 105.19 103.44 3djt n GLY 83 Ca 0.17 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3djt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djt s ILE 84 N -1.98 3.34 -0.56 -0.61 1.09 0.11 -4.98 121.20 117.62 3djt s ILE 84 Ca 0.00 -0.61 -0.18 0.00 -1.10 0.00 0.00 60.65 58.76 3djt s ILE 84 Cb 0.00 -2.35 0.10 0.00 -1.06 0.00 0.00 42.46 39.15 3djt s ILE 84 CO 0.00 0.58 0.64 -0.44 -0.10 0.00 0.00 174.94 175.62 3djt s SER 85 N -0.58 6.19 0.73 3.58 0.01 -1.26 -2.59 113.70 119.78 3djt s SER 85 Ca 0.08 -1.37 -0.11 0.00 1.31 0.00 0.00 55.95 55.86 3djt s SER 85 Cb -0.12 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.87 3djt s SER 85 CO 0.02 -1.00 1.09 -2.16 0.41 0.00 0.00 173.24 171.59 3djt s PRO 86 N 2.46 2.62 -0.12 12.44 0.04 -1.26 -4.98 135.00 146.19 3djt s PRO 86 Ca 0.10 0.56 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 3djt s PRO 86 Cb -0.24 -1.99 -0.27 0.00 0.04 0.00 0.00 34.50 32.04 3djt s PRO 86 CO 0.07 -1.23 0.76 0.35 0.04 0.00 0.00 177.00 176.99 3djt h PHE 87 N -0.80 0.17 -3.49 0.56 3.57 -1.56 -3.47 116.94 111.92 3djt h PHE 87 Ca -0.46 -0.12 -0.53 0.00 3.53 0.00 0.00 57.97 60.39 3djt h PHE 87 Cb 1.25 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 3djt h PHE 87 CO 0.50 1.14 0.10 -1.01 -2.23 0.00 0.00 178.31 176.81 3djt s HIS 88 N -2.30 3.77 0.15 0.41 3.76 -1.26 -4.98 115.29 114.84 3djt s HIS 88 Ca -0.18 1.44 -0.08 0.00 -0.15 0.00 0.00 55.06 56.09 3djt s HIS 88 Cb -0.01 -2.64 -0.00 0.00 1.11 0.00 0.00 32.58 31.03 3djt s HIS 88 CO 0.73 0.45 1.45 0.93 -0.85 0.00 0.00 174.74 177.44 3djt h GLU 89 N 3.94 0.76 0.00 1.40 4.39 -1.98 -3.37 114.58 119.73 3djt h GLU 89 Ca -0.48 -0.47 0.09 0.00 0.34 0.00 0.00 59.36 58.83 3djt h GLU 89 Cb 1.20 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3djt h GLU 89 CO 0.65 1.10 0.47 -2.39 -1.16 0.00 0.00 179.01 177.69 3djt n HIS 90 N -3.99 -1.77 -4.83 4.33 1.44 -1.26 -3.41 115.22 105.73 3djt n HIS 90 Ca -0.04 -1.52 -0.33 0.00 -2.01 0.00 0.00 57.72 53.82 3djt n HIS 90 Cb 0.61 0.75 -0.14 0.00 0.12 0.00 0.00 29.99 31.33 3djt n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3djt s ALA 91 N -2.07 2.62 -0.09 1.59 0.00 -0.27 -4.91 121.76 118.63 3djt s ALA 91 Ca 0.20 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3djt s ALA 91 Cb -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 3djt s ALA 91 CO 0.08 0.35 -0.18 -1.21 0.00 0.00 0.00 175.76 174.80 3djt s GLU 92 N -0.00 2.96 -0.20 0.00 2.02 -1.26 0.53 118.70 122.76 3djt s GLU 92 Ca -0.04 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3djt s GLU 92 Cb -0.14 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.72 3djt s GLU 92 CO 0.04 0.32 -0.10 0.08 0.02 0.00 0.00 175.26 175.62 3djt s VAL 93 N 0.03 1.64 -0.11 2.63 1.01 0.22 -4.95 120.40 120.87 3djt s VAL 93 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3djt s VAL 93 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3djt s VAL 93 CO 0.05 0.17 -0.11 -0.69 0.00 0.00 0.00 175.10 174.52 3djt s VAL 94 N 1.40 3.29 -0.03 2.92 1.01 -1.26 -0.81 120.40 126.92 3djt s VAL 94 Ca -0.01 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3djt s VAL 94 Cb -0.16 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.92 3djt s VAL 94 CO -0.08 0.54 0.68 0.72 0.00 0.00 0.00 175.10 176.96 3djt s PHE 95 N -0.01 -0.64 0.07 5.22 -0.71 -0.43 -5.00 117.98 116.48 3djt s PHE 95 Ca -0.02 1.03 -0.30 0.00 -1.04 0.00 0.00 56.93 56.59 3djt s PHE 95 Cb -0.14 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 3djt s PHE 95 CO 0.04 -0.62 1.05 0.99 -1.34 0.00 0.00 175.22 175.33 3djt s THR 96 N -1.46 4.43 0.04 -4.49 2.01 -1.26 -1.27 115.64 113.65 3djt s THR 96 Ca -0.09 1.85 0.08 0.00 0.31 0.00 0.00 61.69 63.84 3djt s THR 96 Cb -0.00 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3djt s THR 96 CO 0.07 0.20 -0.23 0.00 -0.69 0.00 0.00 174.62 173.98 3djt s ALA 97 N 0.59 1.92 -1.36 7.40 0.00 -0.55 -4.84 121.76 124.92 3djt s ALA 97 Ca 0.52 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3djt s ALA 97 Cb -0.25 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3djt s ALA 97 CO 0.30 0.44 0.00 0.09 0.00 0.00 0.00 175.76 176.59 3djt n ASN 98 N 1.88 -4.54 0.00 0.00 3.02 -1.26 -2.48 115.26 111.88 3djt n ASN 98 Ca -0.17 0.30 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 3djt n ASN 98 Cb 0.53 -3.21 0.79 0.00 -0.61 0.00 0.00 39.78 37.28 3djt n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3djt n ASP 99 N -0.12 0.00 -2.75 6.41 5.75 -1.26 -3.16 116.55 121.43 3djt n ASP 99 Ca -0.13 -0.60 -0.02 0.00 -0.01 0.00 0.00 54.79 54.03 3djt n ASP 99 Cb 0.44 -0.11 0.05 0.00 -1.03 0.00 0.00 41.12 40.47 3djt n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3djt n SER 100 N -1.11 1.92 0.00 -1.12 3.41 -1.26 -5.11 113.62 110.35 3djt n SER 100 Ca 0.18 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3djt n SER 100 Cb 0.14 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3djt n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djt n GLY 101 N -0.61 1.98 3.74 5.00 0.00 -1.19 -5.00 105.19 109.12 3djt n GLY 101 Ca 0.11 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3djt n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3djt s PRO 102 N -2.25 4.37 0.28 1.61 0.04 -1.26 -4.34 135.00 133.46 3djt s PRO 102 Ca 0.00 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.21 3djt s PRO 102 Cb 0.00 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 3djt s PRO 102 CO 0.00 -0.27 -0.10 1.03 0.04 0.00 0.00 177.00 177.71 3djt s ARG 103 N -0.20 1.58 -0.14 4.56 1.81 -1.26 -4.38 118.95 120.92 3djt s ARG 103 Ca 0.57 -1.78 -0.03 0.00 -1.72 0.00 0.00 55.73 52.76 3djt s ARG 103 Cb -0.37 -1.33 -0.03 0.00 -0.45 0.00 0.00 34.95 32.77 3djt s ARG 103 CO 0.39 0.11 -0.03 1.03 -0.68 0.00 0.00 175.30 176.12 3djt s ARG 104 N -3.67 3.54 -0.15 3.54 0.52 -0.62 -4.87 118.95 117.25 3djt s ARG 104 Ca 0.29 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 3djt s ARG 104 Cb 0.02 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.60 3djt s ARG 104 CO 0.12 0.32 -0.17 0.71 0.02 0.00 0.00 175.30 176.31 3djt s TYR 105 N 0.15 2.75 -0.18 -0.53 1.51 -0.15 -1.44 117.35 119.45 3djt s TYR 105 Ca -0.01 -1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 54.95 3djt s TYR 105 Cb -0.14 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 3djt s TYR 105 CO 0.03 -0.50 -0.14 0.99 -1.11 0.00 0.00 175.55 174.82 3djt s THR 106 N 0.79 2.66 -0.16 -0.71 2.01 -0.25 0.17 115.64 120.14 3djt s THR 106 Ca -0.06 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 3djt s THR 106 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3djt s THR 106 CO -0.00 0.50 0.03 -0.63 -0.69 0.00 0.00 174.62 173.83 3djt s ILE 107 N 1.18 4.55 -0.11 1.82 1.01 0.37 -1.67 121.20 128.35 3djt s ILE 107 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3djt s ILE 107 Cb -0.14 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3djt s ILE 107 CO -0.06 0.49 -0.13 0.00 0.00 0.00 0.00 174.94 175.25 3djt s ALA 108 N 0.19 2.66 -0.11 9.38 0.00 -0.96 0.45 121.76 133.37 3djt s ALA 108 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3djt s ALA 108 Cb -0.13 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3djt s ALA 108 CO 0.01 0.33 -0.20 0.00 0.00 0.00 0.00 175.76 175.90 3djt s ALA 109 N 0.07 1.99 -0.18 0.00 0.00 0.18 -2.21 121.76 121.61 3djt s ALA 109 Ca -0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3djt s ALA 109 Cb -0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 3djt s ALA 109 CO 0.04 0.07 0.01 -1.17 0.00 0.00 0.00 175.76 174.71 3djt s LEU 110 N 0.70 3.41 -0.19 0.00 2.96 -0.24 -1.46 118.68 123.86 3djt s LEU 110 Ca -0.11 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3djt s LEU 110 Cb -0.16 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3djt s LEU 110 CO 0.02 0.13 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.33 3djt s LEU 111 N 0.62 2.72 0.19 -0.68 1.43 -0.95 -0.75 118.68 121.26 3djt s LEU 111 Ca -0.00 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3djt s LEU 111 Cb -0.14 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3djt s LEU 111 CO 0.02 0.03 -0.18 -0.44 0.23 0.00 0.00 176.35 176.01 3djt s SER 112 N 1.15 2.79 0.35 2.29 0.01 0.15 -2.06 113.70 118.38 3djt s SER 112 Ca 0.01 -0.91 0.11 0.00 1.31 0.00 0.00 55.95 56.48 3djt s SER 112 Cb -0.14 -0.17 0.90 0.00 0.21 0.00 0.00 66.02 66.81 3djt s SER 112 CO -0.03 -0.04 1.78 -0.65 0.41 0.00 0.00 173.24 174.71 3djt h PRO 113 N 3.02 0.58 -0.14 12.44 0.11 -1.99 -2.72 132.00 143.30 3djt h PRO 113 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3djt h PRO 113 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3djt h PRO 113 CO 0.54 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.37 3djt n TYR 114 N -4.70 0.25 -3.60 0.65 4.02 -1.26 -1.33 117.16 111.19 3djt n TYR 114 Ca 0.23 -0.61 -0.16 0.00 -0.01 0.00 0.00 57.90 57.36 3djt n TYR 114 Cb 0.68 -0.08 -0.07 0.00 -0.02 0.00 0.00 39.34 39.85 3djt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djt s SER 115 N -1.35 -0.61 0.01 7.72 0.15 -1.03 -4.96 113.70 113.63 3djt s SER 115 Ca 0.16 0.86 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 3djt s SER 115 Cb 0.11 0.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.23 3djt s SER 115 CO 0.06 -0.45 0.27 -0.72 1.20 0.00 0.00 173.24 173.60 3djt s TYR 116 N -0.66 -0.10 0.11 3.44 -0.85 -1.26 0.30 117.35 118.34 3djt s TYR 116 Ca -0.07 0.07 0.10 0.00 -0.52 0.00 0.00 57.07 56.65 3djt s TYR 116 Cb -0.02 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 3djt s TYR 116 CO 0.06 -0.40 -0.24 0.45 -1.52 0.00 0.00 175.55 173.90 3djt s SER 117 N -1.58 2.92 -0.03 -0.18 0.15 0.08 -4.98 113.70 110.08 3djt s SER 117 Ca -0.11 -0.71 -0.03 0.00 0.70 0.00 0.00 55.95 55.80 3djt s SER 117 Cb -0.04 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 3djt s SER 117 CO 0.01 0.12 0.08 0.28 1.20 0.00 0.00 173.24 174.94 3djt s THR 118 N -1.10 0.01 0.18 6.45 -1.32 -1.26 -1.08 115.64 117.53 3djt s THR 118 Ca 0.10 -0.11 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 3djt s THR 118 Cb -0.10 -0.16 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 3djt s THR 118 CO 0.05 -0.06 0.12 0.28 -2.21 0.00 0.00 174.62 172.80 3djt s THR 119 N -0.16 0.03 -0.08 5.08 -1.32 -0.94 -4.99 115.64 113.26 3djt s THR 119 Ca -0.02 -1.94 0.01 0.00 -1.21 0.00 0.00 61.69 58.52 3djt s THR 119 Cb -0.02 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.64 3djt s THR 119 CO 0.00 -0.13 -0.09 0.00 -2.21 0.00 0.00 174.62 172.19 3djt s ALA 120 N -4.12 1.17 -0.25 11.08 0.00 -1.26 -2.28 121.76 126.10 3djt s ALA 120 Ca 0.34 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 3djt s ALA 120 Cb 0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3djt s ALA 120 CO 0.09 -0.12 0.15 0.08 0.00 0.00 0.00 175.76 175.96 3djt s VAL 121 N 1.13 5.19 -0.13 0.00 1.01 -0.67 -4.98 120.40 121.94 3djt s VAL 121 Ca -0.06 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3djt s VAL 121 Cb -0.14 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3djt s VAL 121 CO -0.01 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.55 3djt s VAL 122 N 1.22 1.73 -0.07 2.92 1.01 -1.26 -1.09 120.40 124.86 3djt s VAL 122 Ca 0.07 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3djt s VAL 122 Cb -0.14 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 3djt s VAL 122 CO 0.06 0.49 -0.21 0.42 0.00 0.00 0.00 175.10 175.86 3djt s THR 123 N 1.03 1.76 -0.51 3.92 -4.23 -0.52 -4.95 115.64 112.14 3djt s THR 123 Ca -0.04 -0.87 -0.28 0.00 -1.18 0.00 0.00 61.69 59.32 3djt s THR 123 Cb -0.15 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.18 3djt s THR 123 CO -0.04 0.49 1.55 0.21 -0.54 0.00 0.00 174.62 176.30 3djt s ASN 124 N 0.21 5.98 0.00 3.99 2.47 -1.26 -1.59 114.94 124.74 3djt s ASN 124 Ca -0.11 0.54 0.13 0.00 0.42 0.00 0.00 52.86 53.84 3djt s ASN 124 Cb -0.15 -2.54 0.79 0.00 -1.45 0.00 0.00 41.25 37.90 3djt s ASN 124 CO 0.05 -1.78 1.22 -2.65 -3.72 0.00 0.00 177.10 170.22