#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djz n PRO 11 N 0.00 0.21 -3.81 0.00 -0.04 -1.26 -4.46 135.00 125.64 3djz n PRO 11 Ca 0.00 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 3djz n PRO 11 Cb 0.00 -1.82 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 3djz n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djz s LEU 12 N -4.41 1.76 0.04 1.53 2.96 -1.26 -0.28 118.68 119.03 3djz s LEU 12 Ca 0.07 -1.00 0.08 0.00 -0.22 0.00 0.00 54.13 53.07 3djz s LEU 12 Cb 0.11 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 3djz s LEU 12 CO 0.48 -0.29 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.94 3djz s MET 13 N 1.67 1.66 -0.06 1.98 -1.94 -0.01 -4.59 119.30 118.01 3djz s MET 13 Ca -0.02 -1.02 0.04 0.00 -1.71 0.00 0.00 55.69 52.97 3djz s MET 13 Cb -0.18 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.87 3djz s MET 13 CO -0.08 0.46 -0.17 0.08 -0.01 0.00 0.00 175.02 175.31 3djz s VAL 14 N -0.77 1.44 -0.11 -6.03 1.01 -1.26 -0.22 120.40 114.45 3djz s VAL 14 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3djz s VAL 14 Cb -0.09 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3djz s VAL 14 CO 0.02 0.42 -0.13 -0.75 0.00 0.00 0.00 175.10 174.66 3djz s LYS 15 N 0.27 1.99 -0.12 2.72 2.20 0.26 -3.98 119.74 123.08 3djz s LYS 15 Ca -0.09 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 3djz s LYS 15 Cb -0.14 -1.81 -0.00 0.00 -1.51 0.00 0.00 37.83 34.37 3djz s LYS 15 CO 0.04 -0.15 -0.20 0.08 -0.36 0.00 0.00 175.35 174.75 3djz s VAL 16 N 1.27 2.37 0.10 4.02 1.01 -0.07 -0.60 120.40 128.49 3djz s VAL 16 Ca -0.02 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.17 3djz s VAL 16 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3djz s VAL 16 CO -0.05 0.55 -0.26 -0.76 0.00 0.00 0.00 175.10 174.57 3djz s LEU 17 N 0.42 2.26 -0.35 3.92 1.43 0.05 -0.61 118.68 125.79 3djz s LEU 17 Ca -0.15 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 3djz s LEU 17 Cb -0.17 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3djz s LEU 17 CO 0.06 0.20 0.20 -0.62 0.23 0.00 0.00 176.35 176.42 3djz s ASP 18 N -1.73 5.71 0.18 2.29 -1.08 0.60 -0.73 116.67 121.92 3djz s ASP 18 Ca 0.13 -0.81 0.24 0.00 -0.52 0.00 0.00 52.55 51.58 3djz s ASP 18 Cb -0.10 -2.03 0.91 0.00 -1.46 0.00 0.00 42.92 40.24 3djz s ASP 18 CO 0.04 -0.32 1.73 0.00 0.52 0.00 0.00 175.17 177.14 3djz n ALA 19 N 5.01 1.95 0.00 3.66 0.00 0.01 -1.06 120.51 130.08 3djz n ALA 19 Ca -0.12 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 3djz n ALA 19 Cb 0.47 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 3djz n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3djz h VAL 20 N 0.00 0.96 -0.00 0.00 2.07 -1.94 -3.39 116.25 113.95 3djz h VAL 20 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3djz h VAL 20 Cb 0.50 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3djz h VAL 20 CO 0.00 0.71 -0.75 0.54 0.02 0.00 0.00 177.57 178.09 3djz n ARG 21 N -3.88 0.05 -3.41 1.57 1.74 -1.22 -4.98 116.66 106.52 3djz n ARG 21 Ca -0.26 -0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.60 3djz n ARG 21 Cb 0.92 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.94 3djz n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djz n GLY 22 N 1.49 -0.36 3.30 -0.13 0.00 -0.23 -5.02 105.19 104.24 3djz n GLY 22 Ca 0.05 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3djz n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djz s SER 23 N -4.04 0.10 0.56 1.61 1.04 -1.12 -5.01 113.70 106.86 3djz s SER 23 Ca 0.15 -1.02 -0.21 0.00 0.48 0.00 0.00 55.95 55.34 3djz s SER 23 Cb -0.07 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3djz s SER 23 CO 0.70 -0.87 1.31 -2.65 0.98 0.00 0.00 173.24 172.70 3djz n PRO 24 N -0.21 1.54 -3.06 4.02 -0.02 -1.26 -0.29 135.00 135.72 3djz n PRO 24 Ca -0.05 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3djz n PRO 24 Cb 0.63 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3djz n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3djz s ALA 25 N -1.32 3.41 0.01 3.55 0.00 0.22 -4.56 121.76 123.07 3djz s ALA 25 Ca 0.73 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 3djz s ALA 25 Cb -0.42 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3djz s ALA 25 CO 0.48 -1.52 0.18 0.42 0.00 0.00 0.00 175.76 175.32 3djz s ILE 26 N 2.89 5.35 -1.17 0.00 1.01 -1.26 -4.41 121.20 123.61 3djz s ILE 26 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 3djz s ILE 26 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3djz s ILE 26 CO 0.17 0.28 0.20 0.59 0.00 0.00 0.00 174.94 176.18 3djz n ASN 27 N 0.78 -4.59 -4.76 3.58 5.03 -0.14 -4.95 115.26 110.21 3djz n ASN 27 Ca -0.09 -0.10 -0.37 0.00 0.87 0.00 0.00 54.58 54.88 3djz n ASN 27 Cb 0.52 -3.61 -0.07 0.00 -1.02 0.00 0.00 39.78 35.61 3djz n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3djz s VAL 28 N -2.85 5.25 0.18 2.41 1.01 -1.26 -4.77 120.40 120.37 3djz s VAL 28 Ca 0.10 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 3djz s VAL 28 Cb -0.04 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3djz s VAL 28 CO 0.12 0.44 0.96 0.00 0.00 0.00 0.00 175.10 176.62 3djz s ALA 29 N 0.08 3.30 -0.13 5.51 0.00 -1.26 -1.03 121.76 128.22 3djz s ALA 29 Ca 0.19 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.77 3djz s ALA 29 Cb -0.14 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3djz s ALA 29 CO 0.06 0.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.85 3djz s VAL 30 N -0.61 1.46 -0.11 0.00 1.01 0.10 -1.55 120.40 120.70 3djz s VAL 30 Ca 0.44 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3djz s VAL 30 Cb -0.25 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3djz s VAL 30 CO 0.31 0.44 -0.19 -1.00 0.00 0.00 0.00 175.10 174.67 3djz s HIS 31 N 1.41 2.68 -0.07 5.22 3.76 -0.59 -0.78 115.29 126.92 3djz s HIS 31 Ca 0.02 -0.85 0.04 0.00 -0.15 0.00 0.00 55.06 54.13 3djz s HIS 31 Cb -0.13 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 3djz s HIS 31 CO -0.08 -0.31 -0.20 0.08 -0.85 0.00 0.00 174.74 173.38 3djz s VAL 32 N 0.33 2.52 0.18 -0.90 1.01 0.28 -0.47 120.40 123.36 3djz s VAL 32 Ca -0.15 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.01 3djz s VAL 32 Cb -0.17 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3djz s VAL 32 CO 0.07 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.23 3djz s PHE 33 N -0.24 1.67 -0.05 5.22 0.40 0.36 -0.87 117.98 124.47 3djz s PHE 33 Ca -0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 3djz s PHE 33 Cb -0.13 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.62 3djz s PHE 33 CO 0.03 0.31 -0.03 0.50 0.70 0.00 0.00 175.22 176.74 3djz s ARG 34 N -3.36 0.68 0.08 0.44 3.52 0.26 -0.48 118.95 120.10 3djz s ARG 34 Ca 0.19 -0.03 -0.31 0.00 -0.13 0.00 0.00 55.73 55.46 3djz s ARG 34 Cb -0.02 -0.80 -0.09 0.00 -1.56 0.00 0.00 34.95 32.48 3djz s ARG 34 CO 0.06 -0.14 1.75 0.21 -0.81 0.00 0.00 175.30 176.37 3djz s LYS 35 N 1.15 4.17 0.56 5.12 2.20 -0.09 -2.03 119.74 130.82 3djz s LYS 35 Ca -0.08 2.45 -0.04 0.00 -0.36 0.00 0.00 55.97 57.95 3djz s LYS 35 Cb -0.14 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.53 3djz s LYS 35 CO -0.01 -0.80 0.84 0.00 -0.36 0.00 0.00 175.35 175.01 3djz s ALA 36 N 2.89 3.47 0.30 3.13 0.00 0.96 -4.75 121.76 127.76 3djz s ALA 36 Ca 0.78 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.91 3djz s ALA 36 Cb -0.42 -2.42 0.82 0.00 0.00 0.00 0.00 23.12 21.10 3djz s ALA 36 CO 0.34 -0.73 1.65 0.00 0.00 0.00 0.00 175.76 177.03 3djz h ALA 37 N -0.03 1.48 -0.09 0.00 0.00 -1.93 -1.10 119.26 117.59 3djz h ALA 37 Ca -0.45 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3djz h ALA 37 Cb 1.26 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3djz h ALA 37 CO 0.59 -0.50 0.03 -0.40 0.00 0.00 0.00 179.25 178.97 3djz n ASP 38 N -5.18 2.10 -1.07 0.00 5.68 -1.26 -4.86 116.55 111.96 3djz n ASP 38 Ca 0.25 -2.15 -0.14 0.00 -0.50 0.00 0.00 54.79 52.25 3djz n ASP 38 Cb 0.77 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 40.16 3djz n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3djz n ASP 39 N 0.15 -5.03 -4.78 -1.12 9.92 -0.41 -5.01 116.55 110.26 3djz n ASP 39 Ca 0.05 0.35 -0.22 0.00 -0.53 0.00 0.00 54.79 54.43 3djz n ASP 39 Cb 0.46 -3.76 -0.05 0.00 -0.64 0.00 0.00 41.12 37.13 3djz n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3djz s THR 40 N -2.40 4.20 -0.15 -3.53 -4.23 -1.26 -4.90 115.64 103.37 3djz s THR 40 Ca 0.00 -1.52 -0.25 0.00 -1.18 0.00 0.00 61.69 58.74 3djz s THR 40 Cb 0.00 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 3djz s THR 40 CO 0.00 -0.35 0.79 0.26 -0.54 0.00 0.00 174.62 174.79 3djz s TRP 41 N -2.17 3.44 -0.18 3.99 0.52 -1.26 -0.03 118.94 123.26 3djz s TRP 41 Ca 0.32 1.23 -0.07 0.00 0.02 0.00 0.00 56.10 57.60 3djz s TRP 41 Cb -0.08 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 3djz s TRP 41 CO 0.24 -0.18 0.05 -2.00 0.02 0.00 0.00 176.95 175.07 3djz s GLU 42 N 1.90 3.93 0.13 4.98 2.12 -0.86 -4.90 118.70 126.00 3djz s GLU 42 Ca 0.37 -0.36 -0.34 0.00 0.36 0.00 0.00 54.97 55.00 3djz s GLU 42 Cb -0.17 -3.17 -0.14 0.00 0.26 0.00 0.00 34.13 30.91 3djz s GLU 42 CO 0.13 0.28 1.59 -2.30 -0.54 0.00 0.00 175.26 174.42 3djz n PRO 43 N 3.50 2.07 0.00 4.30 -0.02 -1.26 -0.57 135.00 143.02 3djz n PRO 43 Ca -0.17 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3djz n PRO 43 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3djz n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djz n PHE 44 N 3.66 0.00 -3.54 6.00 7.35 -0.05 -4.84 117.46 126.03 3djz n PHE 44 Ca 0.18 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.80 3djz n PHE 44 Cb 0.28 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 3djz n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djz s ALA 45 N -1.90 -1.92 0.19 3.13 0.00 -0.94 -5.00 121.76 115.31 3djz s ALA 45 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 3djz s ALA 45 Cb 0.00 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.35 3djz s ALA 45 CO 0.00 -0.64 0.60 -1.54 0.00 0.00 0.00 175.76 174.18 3djz s SER 46 N -2.32 -0.44 0.06 0.00 1.04 -1.26 1.00 113.70 111.78 3djz s SER 46 Ca 0.06 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.04 3djz s SER 46 Cb -0.01 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.81 3djz s SER 46 CO -0.07 -1.05 1.15 0.61 0.98 0.00 0.00 173.24 174.86 3djz n GLY 47 N -0.38 0.39 3.20 7.32 0.00 0.04 -4.93 105.19 110.83 3djz n GLY 47 Ca -0.13 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 3djz n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djz s LYS 48 N -2.03 1.52 0.29 1.61 3.01 -1.26 0.01 119.74 122.89 3djz s LYS 48 Ca 0.26 -0.72 -0.29 0.00 -1.01 0.00 0.00 55.97 54.21 3djz s LYS 48 Cb -0.02 -1.49 -0.10 0.00 -1.01 0.00 0.00 37.83 35.21 3djz s LYS 48 CO 0.02 0.40 1.36 0.95 0.51 0.00 0.00 175.35 178.59 3djz s THR 49 N -0.50 2.73 0.06 2.17 -4.23 -0.20 -4.10 115.64 111.57 3djz s THR 49 Ca 0.07 0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 61.25 3djz s THR 49 Cb -0.08 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.35 3djz s THR 49 CO -0.00 0.14 0.09 -1.54 -0.54 0.00 0.00 174.62 172.76 3djz n SER 50 N 1.49 0.03 0.32 3.99 3.41 0.07 -0.97 113.62 121.96 3djz n SER 50 Ca 0.03 -1.05 0.21 0.00 -0.26 0.00 0.00 58.87 57.80 3djz n SER 50 Cb 0.41 -0.06 1.10 0.00 -0.26 0.00 0.00 64.21 65.39 3djz n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3djz h GLU 51 N 0.00 0.00 -0.01 4.33 5.08 -1.94 0.79 114.58 122.83 3djz h GLU 51 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3djz h GLU 51 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3djz h GLU 51 CO 0.02 0.01 -0.03 -1.13 -1.00 0.00 0.00 179.01 176.88 3djz n SER 52 N -3.20 0.82 0.00 1.42 3.41 -1.26 -4.75 113.62 110.06 3djz n SER 52 Ca -0.02 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 3djz n SER 52 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3djz n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djz n GLY 53 N 1.15 0.46 3.21 5.00 0.00 0.27 -4.83 105.19 110.45 3djz n GLY 53 Ca 0.19 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 3djz n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djz s GLU 54 N -0.79 1.52 -0.09 1.61 2.02 -1.26 -0.90 118.70 120.82 3djz s GLU 54 Ca 0.00 -0.77 -0.24 0.00 0.02 0.00 0.00 54.97 53.98 3djz s GLU 54 Cb 0.00 -1.52 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 3djz s GLU 54 CO 0.00 0.41 0.73 -1.25 0.02 0.00 0.00 175.26 175.16 3djz s PRO 55 N -0.67 4.41 0.00 0.39 0.05 -1.26 -0.75 135.00 137.17 3djz s PRO 55 Ca 0.07 0.90 -0.16 0.00 0.05 0.00 0.00 61.00 61.86 3djz s PRO 55 Cb -0.08 -3.48 -0.06 0.00 0.05 0.00 0.00 34.50 30.94 3djz s PRO 55 CO -0.00 -0.02 0.46 -1.01 0.05 0.00 0.00 177.00 176.48 3djz s HIS 56 N 1.09 3.72 -0.75 0.56 3.76 -1.26 -4.43 115.29 117.98 3djz s HIS 56 Ca 0.38 1.05 -0.01 0.00 -0.15 0.00 0.00 55.06 56.33 3djz s HIS 56 Cb -0.18 -2.38 -0.01 0.00 1.11 0.00 0.00 32.58 31.12 3djz s HIS 56 CO 0.17 0.56 0.63 0.41 -0.85 0.00 0.00 174.74 175.67 3djz n GLY 57 N 2.00 -0.19 0.19 -2.22 0.00 -1.26 -4.99 105.19 98.72 3djz n GLY 57 Ca -0.12 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3djz n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3djz h LEU 58 N -1.07 0.57 0.00 0.99 3.38 -1.81 -3.48 115.31 113.90 3djz h LEU 58 Ca -0.39 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.10 3djz h LEU 58 Cb 1.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3djz h LEU 58 CO 0.31 0.74 -0.10 1.07 0.09 0.00 0.00 178.44 180.55 3djz n THR 59 N -4.53 0.00 -4.48 0.22 5.66 -1.26 -4.69 114.28 105.19 3djz n THR 59 Ca -0.02 -1.10 -0.23 0.00 -3.05 0.00 0.00 64.05 59.65 3djz n THR 59 Cb 0.26 0.67 -0.11 0.00 -1.55 0.00 0.00 70.33 69.61 3djz n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3djz s THR 60 N -2.67 1.58 0.33 1.09 -4.23 -1.26 -4.63 115.64 105.85 3djz s THR 60 Ca 0.18 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 3djz s THR 60 Cb -0.01 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.22 3djz s THR 60 CO 0.13 -0.12 1.79 -0.08 -0.54 0.00 0.00 174.62 175.80 3djz h GLU 61 N 2.09 0.27 -0.26 3.99 4.81 -1.99 -1.02 114.58 122.47 3djz h GLU 61 Ca -0.41 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 3djz h GLU 61 Cb 1.24 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3djz h GLU 61 CO 0.71 0.53 -0.27 1.49 -0.73 0.00 0.00 179.01 180.75 3djz h GLU 62 N 0.24 0.64 0.00 1.92 4.81 -2.04 -3.24 114.58 116.91 3djz h GLU 62 Ca 0.04 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.76 3djz h GLU 62 Cb 0.62 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3djz h GLU 62 CO 0.04 0.95 -0.80 1.49 -0.73 0.00 0.00 179.01 179.96 3djz h GLU 63 N 0.36 0.00 -4.59 1.92 4.81 -1.92 -3.40 114.58 111.77 3djz h GLU 63 Ca 0.04 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.54 3djz h GLU 63 Cb 0.83 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.07 3djz h GLU 63 CO 0.07 0.80 1.79 0.34 -0.73 0.00 0.00 179.01 181.28 3djz n PHE 64 N -3.50 4.34 -2.29 0.92 7.35 -0.41 -4.96 117.46 118.92 3djz n PHE 64 Ca -0.00 -3.11 -0.26 0.00 -0.76 0.00 0.00 57.45 53.31 3djz n PHE 64 Cb 0.80 -2.23 0.14 0.00 0.35 0.00 0.00 39.48 38.53 3djz n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djz s VAL 65 N 1.85 2.07 0.59 -2.13 -7.23 -1.26 -4.94 120.40 109.35 3djz s VAL 65 Ca 0.44 -0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 60.09 3djz s VAL 65 Cb 0.02 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 3djz s VAL 65 CO 0.01 0.00 1.16 -0.62 -0.31 0.00 0.00 175.10 175.34 3djz n GLU 66 N -3.25 1.18 0.00 4.82 1.02 -1.26 -4.82 120.64 118.33 3djz n GLU 66 Ca 0.15 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3djz n GLU 66 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3djz n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3djz n GLY 67 N 1.05 -0.30 3.59 0.62 0.00 -1.12 -4.99 105.19 104.03 3djz n GLY 67 Ca 0.13 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3djz n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djz s ILE 68 N -2.00 5.16 0.10 -0.61 1.01 -1.26 -0.14 121.20 123.46 3djz s ILE 68 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.84 3djz s ILE 68 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3djz s ILE 68 CO 0.00 0.29 -0.12 -0.31 0.00 0.00 0.00 174.94 174.80 3djz s TYR 69 N 1.55 2.70 -0.13 3.97 1.51 0.24 -0.91 117.35 126.28 3djz s TYR 69 Ca 0.07 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 3djz s TYR 69 Cb -0.15 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 3djz s TYR 69 CO 0.08 0.41 -0.15 0.21 -1.11 0.00 0.00 175.55 174.99 3djz s LYS 70 N -2.12 2.34 -0.27 -0.62 2.20 0.37 -1.35 119.74 120.28 3djz s LYS 70 Ca 0.20 -0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 55.16 3djz s LYS 70 Cb -0.11 -2.04 -0.00 0.00 -1.51 0.00 0.00 37.83 34.17 3djz s LYS 70 CO 0.12 -0.13 0.05 0.08 -0.36 0.00 0.00 175.35 175.11 3djz s VAL 71 N 1.19 3.87 -0.22 4.02 1.01 0.75 -0.49 120.40 130.53 3djz s VAL 71 Ca -0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3djz s VAL 71 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3djz s VAL 71 CO -0.06 0.20 -0.06 -0.70 0.00 0.00 0.00 175.10 174.48 3djz s GLU 72 N 1.51 3.25 -0.21 2.72 2.12 0.38 -0.18 118.70 128.29 3djz s GLU 72 Ca 0.04 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.59 3djz s GLU 72 Cb -0.16 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3djz s GLU 72 CO 0.01 -0.23 0.07 0.42 -0.54 0.00 0.00 175.26 175.00 3djz s ILE 73 N 1.44 4.64 -1.44 -3.70 1.01 0.23 -1.55 121.20 121.84 3djz s ILE 73 Ca 0.05 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 3djz s ILE 73 Cb -0.14 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.25 3djz s ILE 73 CO -0.05 0.40 2.16 0.47 0.00 0.00 0.00 174.94 177.93 3djz n ASP 74 N 4.17 4.03 0.13 3.58 10.43 -0.59 -1.55 116.55 136.75 3djz n ASP 74 Ca -0.16 -2.86 -0.02 0.00 2.57 0.00 0.00 54.79 54.32 3djz n ASP 74 Cb 0.52 -1.66 0.16 0.00 1.84 0.00 0.00 41.12 41.98 3djz n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3djz h THR 75 N 4.14 1.44 -0.15 -3.53 1.35 -1.88 -3.06 112.91 111.22 3djz h THR 75 Ca 0.55 -2.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.30 3djz h THR 75 Cb 0.66 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 3djz h THR 75 CO 1.84 0.61 0.09 0.50 -0.25 0.00 0.00 175.52 178.30 3djz h LYS 76 N 0.03 0.20 -0.31 4.72 3.64 -1.74 -1.64 116.57 121.47 3djz h LYS 76 Ca -0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3djz h LYS 76 Cb 1.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3djz h LYS 76 CO 0.08 0.17 0.00 0.77 -2.27 0.00 0.00 179.45 178.20 3djz h SER 77 N 0.18 0.45 0.34 4.20 0.02 -1.85 -1.05 113.55 115.83 3djz h SER 77 Ca 0.05 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3djz h SER 77 Cb 0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3djz h SER 77 CO -0.01 0.51 -0.18 0.22 -1.14 0.00 0.00 176.83 176.23 3djz h TYR 78 N 0.46 -0.46 -0.30 3.45 3.20 -1.34 -1.82 116.97 120.17 3djz h TYR 78 Ca 0.10 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 3djz h TYR 78 Cb 0.30 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3djz h TYR 78 CO 0.01 -0.28 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.40 3djz h TRP 79 N -0.48 0.79 -0.48 -3.82 4.06 -1.07 -2.71 115.95 112.24 3djz h TRP 79 Ca -0.04 -0.22 -0.07 0.00 2.06 0.00 0.00 58.89 60.62 3djz h TRP 79 Cb 0.38 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 3djz h TRP 79 CO -0.07 0.93 0.01 0.87 -3.56 0.00 0.00 178.44 176.63 3djz h LYS 80 N 0.56 0.78 0.00 0.49 1.57 -1.01 -0.83 116.57 118.13 3djz h LYS 80 Ca 0.06 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3djz h LYS 80 Cb 0.87 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3djz h LYS 80 CO 0.08 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.74 3djz n ALA 81 N -2.47 1.55 0.76 3.86 0.00 -0.69 -1.67 120.51 121.86 3djz n ALA 81 Ca 0.03 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.60 3djz n ALA 81 Cb 0.29 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.54 3djz n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3djz n LEU 82 N -1.90 2.72 0.00 0.00 4.77 -0.45 -4.99 117.00 117.15 3djz n LEU 82 Ca 0.02 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3djz n LEU 82 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3djz n LEU 82 CO 0.15 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3djz n GLY 83 N 1.13 0.69 3.38 -0.72 0.00 -0.67 -5.07 105.19 103.94 3djz n GLY 83 Ca 0.12 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3djz n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djz s ILE 84 N -2.00 2.68 -0.49 -0.61 1.01 -0.44 -5.01 121.20 116.34 3djz s ILE 84 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 3djz s ILE 84 Cb 0.00 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.48 3djz s ILE 84 CO 0.00 0.57 0.60 -0.44 0.00 0.00 0.00 174.94 175.67 3djz s SER 85 N -0.35 6.23 0.67 3.58 0.01 -1.26 -2.78 113.70 119.81 3djz s SER 85 Ca 0.03 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 3djz s SER 85 Cb -0.12 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 63.88 3djz s SER 85 CO 0.02 -0.85 0.97 -2.16 0.41 0.00 0.00 173.24 171.64 3djz s PRO 86 N 2.57 2.30 -0.07 12.44 0.04 -1.26 -5.00 135.00 146.01 3djz s PRO 86 Ca 0.15 -0.31 -0.26 0.00 0.04 0.00 0.00 61.00 60.62 3djz s PRO 86 Cb -0.19 -2.22 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 3djz s PRO 86 CO 0.12 -1.13 0.97 0.35 0.04 0.00 0.00 177.00 177.36 3djz h PHE 87 N -0.47 0.16 -3.80 0.56 3.57 -1.68 -3.47 116.94 111.81 3djz h PHE 87 Ca -0.44 -0.09 -0.48 0.00 3.53 0.00 0.00 57.97 60.49 3djz h PHE 87 Cb 1.31 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3djz h PHE 87 CO 0.35 0.92 0.28 -1.01 -2.23 0.00 0.00 178.31 176.61 3djz s HIS 88 N -2.97 3.67 0.22 0.41 3.76 -1.26 -4.97 115.29 114.16 3djz s HIS 88 Ca -0.17 1.67 0.03 0.00 -0.15 0.00 0.00 55.06 56.44 3djz s HIS 88 Cb -0.00 -2.83 0.19 0.00 1.11 0.00 0.00 32.58 31.04 3djz s HIS 88 CO 0.72 0.24 1.52 0.93 -0.85 0.00 0.00 174.74 177.30 3djz h GLU 89 N 3.22 0.27 -2.08 1.40 4.39 -1.99 -3.38 114.58 116.42 3djz h GLU 89 Ca -0.47 -0.20 0.25 0.00 0.34 0.00 0.00 59.36 59.28 3djz h GLU 89 Cb 1.19 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.80 3djz h GLU 89 CO 0.65 0.82 0.69 -3.38 -1.16 0.00 0.00 179.01 176.63 3djz s HIS 90 N -3.69 -0.02 -0.12 4.33 -3.43 -1.26 -3.62 115.29 107.47 3djz s HIS 90 Ca -0.04 -0.22 0.03 0.00 -0.80 0.00 0.00 55.06 54.03 3djz s HIS 90 Cb 0.12 0.62 0.01 0.00 -1.43 0.00 0.00 32.58 31.89 3djz s HIS 90 CO 0.81 -0.59 -0.22 0.00 -2.00 0.00 0.00 174.74 172.73 3djz s ALA 91 N -2.51 2.17 0.10 -1.38 0.00 -0.59 -4.89 121.76 114.66 3djz s ALA 91 Ca 0.18 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.23 3djz s ALA 91 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3djz s ALA 91 CO 0.01 0.09 -0.25 -2.00 0.00 0.00 0.00 175.76 173.61 3djz s GLU 92 N 0.64 1.40 -0.09 0.00 2.12 -1.26 0.76 118.70 122.27 3djz s GLU 92 Ca -0.12 -1.22 -0.01 0.00 0.36 0.00 0.00 54.97 53.98 3djz s GLU 92 Cb -0.16 -1.75 0.03 0.00 0.26 0.00 0.00 34.13 32.50 3djz s GLU 92 CO 0.02 0.42 -0.03 0.08 -0.54 0.00 0.00 175.26 175.22 3djz s VAL 93 N -1.01 0.61 -0.12 3.70 1.01 0.74 -4.97 120.40 120.36 3djz s VAL 93 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3djz s VAL 93 Cb -0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3djz s VAL 93 CO 0.04 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 3djz s VAL 94 N 1.87 2.62 0.03 2.92 1.01 -1.26 -0.18 120.40 127.41 3djz s VAL 94 Ca 0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 3djz s VAL 94 Cb -0.12 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3djz s VAL 94 CO -0.06 0.54 0.44 0.72 0.00 0.00 0.00 175.10 176.74 3djz s PHE 95 N 0.34 -0.32 0.01 5.22 -0.71 -0.46 -5.00 117.98 117.07 3djz s PHE 95 Ca -0.14 0.35 -0.25 0.00 -1.04 0.00 0.00 56.93 55.85 3djz s PHE 95 Cb -0.17 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 3djz s PHE 95 CO 0.07 -0.57 0.76 0.99 -1.34 0.00 0.00 175.22 175.13 3djz s THR 96 N -2.25 4.83 0.04 -4.49 2.01 -1.26 -0.60 115.64 113.92 3djz s THR 96 Ca -0.07 1.60 0.07 0.00 0.31 0.00 0.00 61.69 63.61 3djz s THR 96 Cb -0.01 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 3djz s THR 96 CO -0.01 0.32 -0.20 0.00 -0.69 0.00 0.00 174.62 174.04 3djz s ALA 97 N 0.24 2.51 -1.35 7.40 0.00 0.80 -4.76 121.76 126.59 3djz s ALA 97 Ca 0.39 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3djz s ALA 97 Cb -0.20 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3djz s ALA 97 CO 0.22 0.56 0.00 0.09 0.00 0.00 0.00 175.76 176.63 3djz n ASN 98 N 1.67 -5.54 0.00 0.00 3.02 -1.26 -2.79 115.26 110.36 3djz n ASN 98 Ca -0.16 0.32 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 3djz n ASN 98 Cb 0.52 -4.16 0.39 0.00 -0.61 0.00 0.00 39.78 35.92 3djz n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3djz n ASP 99 N -1.10 0.00 -0.08 6.41 5.75 -1.26 -1.31 116.55 124.96 3djz n ASP 99 Ca -0.13 -1.40 0.04 0.00 -0.01 0.00 0.00 54.79 53.29 3djz n ASP 99 Cb 0.59 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.73 3djz n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3djz n SER 100 N -0.72 1.71 0.00 -1.12 7.64 -1.26 -5.11 113.62 114.76 3djz n SER 100 Ca 0.10 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.66 3djz n SER 100 Cb 0.04 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3djz n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djz n GLY 101 N -0.76 2.60 3.76 0.23 0.00 -0.43 -5.07 105.19 105.53 3djz n GLY 101 Ca 0.06 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 3djz n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3djz s PRO 102 N -2.33 3.69 0.13 1.61 0.02 -1.26 -4.28 135.00 132.58 3djz s PRO 102 Ca 0.00 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 3djz s PRO 102 Cb 0.00 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 3djz s PRO 102 CO 0.00 -0.74 0.05 1.03 -0.33 0.00 0.00 177.00 177.01 3djz s ARG 103 N -2.49 0.92 -0.14 5.54 1.81 -1.26 -4.43 118.95 118.90 3djz s ARG 103 Ca 0.62 -1.44 -0.05 0.00 -1.72 0.00 0.00 55.73 53.14 3djz s ARG 103 Cb -0.39 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.30 3djz s ARG 103 CO 0.50 -0.25 0.03 1.03 -0.68 0.00 0.00 175.30 175.93 3djz s ARG 104 N -4.04 3.53 -0.11 3.54 0.52 -0.24 -4.84 118.95 117.31 3djz s ARG 104 Ca 0.24 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 3djz s ARG 104 Cb 0.07 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 3djz s ARG 104 CO 0.02 0.47 -0.17 0.71 0.02 0.00 0.00 175.30 176.35 3djz s TYR 105 N -0.22 2.71 -0.19 -0.53 1.51 0.62 -1.37 117.35 119.88 3djz s TYR 105 Ca 0.07 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.44 3djz s TYR 105 Cb -0.12 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 3djz s TYR 105 CO 0.02 -0.21 -0.14 0.99 -1.11 0.00 0.00 175.55 175.10 3djz s THR 106 N 0.16 2.63 -0.35 -0.71 2.01 0.13 -0.83 115.64 118.68 3djz s THR 106 Ca -0.09 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 3djz s THR 106 Cb -0.16 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 3djz s THR 106 CO 0.06 0.50 0.24 -0.63 -0.69 0.00 0.00 174.62 174.09 3djz s ILE 107 N 1.23 5.17 -0.13 1.82 -1.09 0.69 -0.94 121.20 127.96 3djz s ILE 107 Ca 0.03 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.06 3djz s ILE 107 Cb -0.14 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 3djz s ILE 107 CO -0.07 -0.05 0.07 0.00 -1.23 0.00 0.00 174.94 173.66 3djz s ALA 108 N 1.70 3.53 -0.09 9.38 0.00 -0.15 -0.58 121.76 135.54 3djz s ALA 108 Ca 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3djz s ALA 108 Cb -0.18 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.17 3djz s ALA 108 CO 0.10 0.46 -0.11 0.00 0.00 0.00 0.00 175.76 176.20 3djz s ALA 109 N -0.51 1.37 -0.25 0.00 0.00 0.23 -0.92 121.76 121.67 3djz s ALA 109 Ca 0.10 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 3djz s ALA 109 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3djz s ALA 109 CO 0.02 -0.09 0.05 -1.17 0.00 0.00 0.00 175.76 174.57 3djz s LEU 110 N 1.05 3.44 -0.18 0.00 2.96 0.37 -0.77 118.68 125.53 3djz s LEU 110 Ca -0.07 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3djz s LEU 110 Cb -0.15 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3djz s LEU 110 CO -0.01 -0.07 0.01 -0.76 -1.32 0.00 0.00 176.35 174.20 3djz s LEU 111 N 1.57 3.44 0.23 -0.68 1.43 0.10 -1.23 118.68 123.53 3djz s LEU 111 Ca 0.05 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 3djz s LEU 111 Cb -0.15 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3djz s LEU 111 CO 0.02 0.13 -0.13 -0.44 0.23 0.00 0.00 176.35 176.16 3djz s SER 112 N 0.62 2.75 0.31 2.29 0.01 0.15 -0.81 113.70 119.01 3djz s SER 112 Ca 0.00 -1.07 0.03 0.00 1.31 0.00 0.00 55.95 56.23 3djz s SER 112 Cb -0.14 -0.16 0.62 0.00 0.21 0.00 0.00 66.02 66.54 3djz s SER 112 CO 0.02 -0.19 1.87 -0.65 0.41 0.00 0.00 173.24 174.70 3djz h PRO 113 N 2.45 0.90 -0.09 12.44 0.11 -1.99 -2.83 132.00 142.99 3djz h PRO 113 Ca -0.39 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3djz h PRO 113 Cb 1.23 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3djz h PRO 113 CO 0.63 0.60 -0.01 0.66 -0.21 0.00 0.00 178.00 179.67 3djz n TYR 114 N -4.56 0.34 -3.62 0.65 4.02 -1.26 -1.67 117.16 111.05 3djz n TYR 114 Ca 0.17 -0.97 -0.15 0.00 -0.01 0.00 0.00 57.90 56.94 3djz n TYR 114 Cb 0.34 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.37 3djz n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djz s SER 115 N -2.56 -0.59 0.08 7.72 0.15 -1.07 -4.97 113.70 112.46 3djz s SER 115 Ca 0.36 0.90 -0.07 0.00 0.70 0.00 0.00 55.95 57.84 3djz s SER 115 Cb 0.30 0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 65.48 3djz s SER 115 CO 0.05 -0.39 0.14 -0.72 1.20 0.00 0.00 173.24 173.51 3djz s TYR 116 N -0.44 0.26 -0.00 3.44 -0.85 -1.26 -0.68 117.35 117.81 3djz s TYR 116 Ca -0.06 -0.72 0.03 0.00 -0.52 0.00 0.00 57.07 55.81 3djz s TYR 116 Cb -0.03 -0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 3djz s TYR 116 CO 0.05 -0.51 -0.11 0.45 -1.52 0.00 0.00 175.55 173.91 3djz s SER 117 N -2.88 1.31 -0.05 -0.18 0.15 -0.37 -4.98 113.70 106.70 3djz s SER 117 Ca 0.06 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.51 3djz s SER 117 Cb 0.06 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 3djz s SER 117 CO -0.10 0.11 -0.14 0.28 1.20 0.00 0.00 173.24 174.60 3djz s THR 118 N -0.35 1.19 0.05 6.45 -1.32 -1.26 -0.48 115.64 119.92 3djz s THR 118 Ca 0.04 -0.55 0.02 0.00 -1.21 0.00 0.00 61.69 59.99 3djz s THR 118 Cb -0.05 -1.06 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3djz s THR 118 CO -0.00 0.36 -0.08 0.28 -2.21 0.00 0.00 174.62 172.97 3djz s THR 119 N 0.37 0.57 -0.08 5.08 -1.32 -0.10 -4.98 115.64 115.17 3djz s THR 119 Ca -0.09 -1.13 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 3djz s THR 119 Cb -0.13 -0.68 -0.02 0.00 -1.51 0.00 0.00 72.50 70.16 3djz s THR 119 CO 0.03 -0.40 -0.12 0.00 -2.21 0.00 0.00 174.62 171.91 3djz s ALA 120 N -1.49 2.71 -0.18 11.08 0.00 -1.26 -0.98 121.76 131.64 3djz s ALA 120 Ca -0.09 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 3djz s ALA 120 Cb -0.09 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3djz s ALA 120 CO 0.00 0.45 -0.15 0.08 0.00 0.00 0.00 175.76 176.14 3djz s VAL 121 N -0.36 2.55 -0.16 0.00 1.01 -0.11 -4.97 120.40 118.35 3djz s VAL 121 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3djz s VAL 121 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3djz s VAL 121 CO 0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.73 3djz s VAL 122 N 1.20 2.06 0.05 2.92 1.01 -1.26 -0.69 120.40 125.69 3djz s VAL 122 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.11 3djz s VAL 122 Cb -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3djz s VAL 122 CO -0.07 0.54 -0.17 0.42 0.00 0.00 0.00 175.10 175.82 3djz s THR 123 N 1.05 1.40 -0.01 3.92 -4.23 -0.47 -4.97 115.64 112.32 3djz s THR 123 Ca -0.01 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 3djz s THR 123 Cb -0.14 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 3djz s THR 123 CO -0.07 0.07 1.38 0.21 -0.54 0.00 0.00 174.62 175.67 3djz s ASN 124 N -1.25 6.87 0.00 3.99 3.84 -1.26 -1.08 114.94 126.05 3djz s ASN 124 Ca 0.04 2.07 0.03 0.00 0.21 0.00 0.00 52.86 55.21 3djz s ASN 124 Cb -0.09 -2.56 0.15 0.00 -0.55 0.00 0.00 41.25 38.21 3djz s ASN 124 CO 0.02 -0.71 0.64 -0.81 -2.79 0.00 0.00 177.10 173.44