#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 0.05 -3.89 0.00 -0.04 -1.26 -4.57 135.00 125.30 3djz n PRO 11 Ca 0.00 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 3djz n PRO 11 Cb 0.00 -1.55 -0.17 0.00 -0.04 0.00 0.00 33.50 31.74 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 -3.28 1.51 0.16 1.53 2.96 -1.26 0.87 118.68 121.18 3djz s LEU 12 Ca 0.12 -0.59 0.11 0.00 -0.22 0.00 0.00 54.13 53.55 3djz s LEU 12 Cb 0.17 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3djz s LEU 12 CO 0.60 -0.18 -0.25 -0.04 -1.32 0.00 0.00 176.35 175.16 3djz s MET 13 N 1.66 1.43 -0.03 1.98 -1.94 0.92 -4.58 119.30 118.75 3djz s MET 13 Ca 0.01 -1.43 0.04 0.00 -1.71 0.00 0.00 55.69 52.61 3djz s MET 13 Cb -0.15 -1.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.89 3djz s MET 13 CO -0.08 0.40 -0.16 0.08 -0.01 0.00 0.00 175.02 175.26 3djz s VAL 14 N -1.43 1.30 -0.07 -6.03 1.01 -1.26 -0.90 120.40 113.01 3djz s VAL 14 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3djz s VAL 14 Cb -0.09 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3djz s VAL 14 CO 0.08 0.37 -0.07 -0.75 0.00 0.00 0.00 175.10 174.73 3djz s LYS 15 N -0.13 1.23 -0.13 2.72 2.20 -0.36 -4.08 119.74 121.20 3djz s LYS 15 Ca 0.01 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 3djz s LYS 15 Cb -0.09 -1.23 0.01 0.00 -1.51 0.00 0.00 37.83 35.01 3djz s LYS 15 CO 0.01 -0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 174.75 3djz s VAL 16 N 1.25 1.81 0.08 4.02 1.01 0.16 -0.43 120.40 128.31 3djz s VAL 16 Ca -0.05 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3djz s VAL 16 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3djz s VAL 16 CO -0.02 0.50 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 3djz s LEU 17 N 0.95 2.70 -0.38 3.92 1.43 0.55 -0.69 118.68 127.16 3djz s LEU 17 Ca -0.06 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 3djz s LEU 17 Cb -0.15 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.56 3djz s LEU 17 CO -0.03 0.22 0.20 -0.62 0.23 0.00 0.00 176.35 176.35 3djz s ASP 18 N -1.80 5.60 0.21 2.29 -1.08 0.16 -0.10 116.67 121.95 3djz s ASP 18 Ca 0.17 -1.22 0.23 0.00 -0.52 0.00 0.00 52.55 51.21 3djz s ASP 18 Cb -0.11 -1.97 0.91 0.00 -1.46 0.00 0.00 42.92 40.30 3djz s ASP 18 CO 0.08 -0.43 1.71 0.00 0.52 0.00 0.00 175.17 177.05 3djz n ALA 19 N 4.92 1.84 -0.03 3.66 0.00 0.22 -0.59 120.51 130.54 3djz n ALA 19 Ca -0.11 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3djz n ALA 19 Cb 0.44 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 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 1.15 0.00 0.00 2.07 -1.94 -3.39 116.25 114.15 3djz h VAL 20 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3djz h VAL 20 Cb 0.45 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3djz h VAL 20 CO 0.00 0.61 -0.89 0.54 0.02 0.00 0.00 177.57 177.85 3djz n ARG 21 N -4.15 0.02 -3.07 1.57 1.74 -1.22 -4.99 116.66 106.56 3djz n ARG 21 Ca -0.23 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.71 3djz n ARG 21 Cb 0.79 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.02 3.32 -0.13 0.00 0.24 -5.03 105.19 105.06 3djz n GLY 22 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.47 0.09 0.50 1.61 1.04 -1.13 -5.01 113.70 107.33 3djz s SER 23 Ca 0.22 -1.15 -0.23 0.00 0.48 0.00 0.00 55.95 55.27 3djz s SER 23 Cb -0.10 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 3djz s SER 23 CO 0.46 -0.91 1.34 -2.84 0.98 0.00 0.00 173.24 172.27 3djz s PRO 24 N -4.07 3.43 -0.56 4.02 0.02 -1.26 -0.66 135.00 135.91 3djz s PRO 24 Ca 0.29 2.19 -0.26 0.00 0.02 0.00 0.00 61.00 63.24 3djz s PRO 24 Cb 0.04 -2.41 0.03 0.00 0.02 0.00 0.00 34.50 32.19 3djz s PRO 24 CO 0.08 -0.95 1.08 0.00 -0.33 0.00 0.00 177.00 176.87 3djz s ALA 25 N -1.31 3.07 0.06 -1.55 0.00 0.14 -4.63 121.76 117.54 3djz s ALA 25 Ca 0.67 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 3djz s ALA 25 Cb -0.39 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 3djz s ALA 25 CO 0.48 -2.52 0.34 0.42 0.00 0.00 0.00 175.76 174.47 3djz s ILE 26 N 4.48 5.19 -1.04 0.00 1.01 -1.26 -4.29 121.20 125.30 3djz s ILE 26 Ca 0.37 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3djz s ILE 26 Cb -0.10 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3djz s ILE 26 CO 0.23 0.29 0.00 0.59 0.00 0.00 0.00 174.94 176.05 3djz n ASN 27 N 0.89 -3.86 -4.75 3.58 3.02 -0.34 -4.93 115.26 108.87 3djz n ASN 27 Ca -0.09 -0.01 -0.37 0.00 -0.03 0.00 0.00 54.58 54.09 3djz n ASN 27 Cb 0.52 -3.07 -0.07 0.00 -0.61 0.00 0.00 39.78 36.56 3djz n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3djz s VAL 28 N -2.60 5.29 0.17 2.41 1.01 -1.26 -4.75 120.40 120.66 3djz s VAL 28 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 3djz s VAL 28 Cb 0.00 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 3djz s VAL 28 CO 0.00 0.42 1.08 0.00 0.00 0.00 0.00 175.10 176.59 3djz s ALA 29 N 0.25 3.35 -0.13 5.51 0.00 -1.26 -0.97 121.76 128.51 3djz s ALA 29 Ca 0.18 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3djz s ALA 29 Cb -0.13 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3djz s ALA 29 CO 0.05 -0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.58 3djz s VAL 30 N -0.19 1.43 -0.08 0.00 1.01 0.55 -1.60 120.40 121.52 3djz s VAL 30 Ca 0.49 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3djz s VAL 30 Cb -0.28 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3djz s VAL 30 CO 0.34 0.43 -0.17 -1.00 0.00 0.00 0.00 175.10 174.71 3djz s HIS 31 N 1.40 2.68 -0.09 5.22 3.76 0.05 -1.20 115.29 127.11 3djz s HIS 31 Ca 0.02 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 3djz s HIS 31 Cb -0.13 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 3djz s HIS 31 CO -0.08 -0.07 -0.22 0.08 -0.85 0.00 0.00 174.74 173.60 3djz s VAL 32 N -0.18 2.27 0.22 -0.90 1.01 0.43 -0.37 120.40 122.89 3djz s VAL 32 Ca -0.01 -0.96 0.12 0.00 0.00 0.00 0.00 61.98 61.12 3djz s VAL 32 Cb -0.13 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3djz s VAL 32 CO 0.03 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.10 3djz s PHE 33 N 0.12 2.30 -0.00 5.22 0.08 0.13 -0.42 117.98 125.40 3djz s PHE 33 Ca -0.11 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.66 3djz s PHE 33 Cb -0.16 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.17 3djz s PHE 33 CO 0.06 0.56 -0.23 0.50 -0.10 0.00 0.00 175.22 176.02 3djz s ARG 34 N -2.92 1.76 -0.15 0.44 3.52 0.03 -1.29 118.95 120.34 3djz s ARG 34 Ca 0.23 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.69 3djz s ARG 34 Cb -0.07 -1.75 -0.01 0.00 -1.56 0.00 0.00 34.95 31.56 3djz s ARG 34 CO 0.11 0.47 1.00 0.21 -0.81 0.00 0.00 175.30 176.28 3djz s LYS 35 N -0.69 4.36 0.27 5.12 2.20 0.00 -1.09 119.74 129.92 3djz s LYS 35 Ca 0.09 1.34 0.06 0.00 -0.36 0.00 0.00 55.97 57.10 3djz s LYS 35 Cb -0.09 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3djz s LYS 35 CO -0.00 -0.40 0.38 0.00 -0.36 0.00 0.00 175.35 174.96 3djz s ALA 36 N 2.36 4.00 0.30 3.13 0.00 -0.89 -4.72 121.76 125.94 3djz s ALA 36 Ca 0.46 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3djz s ALA 36 Cb -0.17 -1.67 0.78 0.00 0.00 0.00 0.00 23.12 22.06 3djz s ALA 36 CO 0.14 0.15 1.48 0.00 0.00 0.00 0.00 175.76 177.53 3djz n ALA 37 N -1.46 0.53 0.71 0.00 0.00 -1.26 0.33 120.51 119.36 3djz n ALA 37 Ca -0.06 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.39 3djz n ALA 37 Cb 0.57 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3djz n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3djz n ASP 38 N -5.37 0.30 -1.86 0.00 5.75 -1.26 -4.77 116.55 109.35 3djz n ASP 38 Ca 0.24 -1.01 -0.16 0.00 -0.01 0.00 0.00 54.79 53.84 3djz n ASP 38 Cb 0.78 -0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.67 3djz n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3djz n ASP 39 N -0.05 -4.41 -4.53 -1.12 -0.08 0.15 -4.96 116.55 101.54 3djz n ASP 39 Ca 0.00 0.28 -0.31 0.00 -1.51 0.00 0.00 54.79 53.25 3djz n ASP 39 Cb 0.08 -3.89 -0.11 0.00 2.34 0.00 0.00 41.12 39.54 3djz n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3djz s THR 40 N -2.53 3.20 0.26 5.18 -4.23 -1.23 -4.93 115.64 111.37 3djz s THR 40 Ca 0.00 -1.05 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 3djz s THR 40 Cb 0.00 -2.39 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 3djz s THR 40 CO 0.00 0.32 1.20 0.26 -0.54 0.00 0.00 174.62 175.86 3djz s TRP 41 N -1.00 3.37 -0.08 3.99 0.52 -1.26 -2.08 118.94 122.39 3djz s TRP 41 Ca 0.17 1.51 0.04 0.00 0.02 0.00 0.00 56.10 57.84 3djz s TRP 41 Cb -0.11 -3.46 0.00 0.00 -1.15 0.00 0.00 33.47 28.76 3djz s TRP 41 CO 0.08 -1.18 -0.22 -2.00 0.02 0.00 0.00 176.95 173.65 3djz s GLU 42 N -1.13 2.67 0.23 4.98 2.12 -0.25 -4.93 118.70 122.39 3djz s GLU 42 Ca 0.49 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.72 3djz s GLU 42 Cb -0.35 -2.08 -0.15 0.00 0.26 0.00 0.00 34.13 31.82 3djz s GLU 42 CO 0.43 0.19 1.18 -2.30 -0.54 0.00 0.00 175.26 174.21 3djz n PRO 43 N 3.47 1.45 0.00 4.30 -0.02 -1.26 -0.79 135.00 142.15 3djz n PRO 43 Ca -0.19 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3djz n PRO 43 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.16 0.00 -3.51 6.00 7.35 0.44 -4.78 117.46 124.12 3djz n PHE 44 Ca 0.12 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.68 3djz n PHE 44 Cb 0.29 0.11 -0.04 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.69 -1.79 0.24 3.13 0.00 -0.75 -5.00 121.76 115.91 3djz s ALA 45 Ca 0.00 1.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 3djz s ALA 45 Cb 0.00 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.21 3djz s ALA 45 CO 0.00 -0.48 0.68 -1.54 0.00 0.00 0.00 175.76 174.42 3djz s SER 46 N -1.67 -0.36 -0.08 0.00 1.04 -1.26 0.16 113.70 111.53 3djz s SER 46 Ca -0.04 -0.42 -0.32 0.00 0.48 0.00 0.00 55.95 55.65 3djz s SER 46 Cb -0.00 0.69 0.13 0.00 0.10 0.00 0.00 66.02 66.93 3djz s SER 46 CO 0.01 -1.22 1.41 -0.83 0.98 0.00 0.00 173.24 173.58 3djz s GLY 47 N -2.87 -0.42 -0.04 7.32 0.00 -0.34 -4.93 107.32 106.04 3djz s GLY 47 Ca 0.08 0.72 0.06 0.00 0.00 0.00 0.00 44.72 45.58 3djz s GLY 47 CO 0.01 1.88 -0.21 0.54 0.00 0.00 0.00 173.10 175.31 3djz s LYS 48 N -2.06 2.33 0.34 2.90 -0.14 -1.26 -0.33 119.74 121.52 3djz s LYS 48 Ca 0.19 -0.83 -0.28 0.00 -1.36 0.00 0.00 55.97 53.69 3djz s LYS 48 Cb 0.06 -2.20 -0.10 0.00 -1.68 0.00 0.00 37.83 33.91 3djz s LYS 48 CO -0.05 0.57 1.26 0.95 -0.76 0.00 0.00 175.35 177.31 3djz s THR 49 N -0.61 2.88 0.00 2.17 -4.23 -0.14 -4.02 115.64 111.69 3djz s THR 49 Ca 0.09 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 3djz s THR 49 Cb -0.11 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3djz s THR 49 CO 0.00 0.18 0.00 -1.54 -0.54 0.00 0.00 174.62 172.72 3djz n SER 50 N 0.69 0.00 0.09 3.99 3.41 0.47 -1.20 113.62 121.07 3djz n SER 50 Ca 0.01 -0.76 0.11 0.00 -0.26 0.00 0.00 58.87 57.96 3djz n SER 50 Cb 0.43 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.83 3djz n SER 50 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3djz n GLU 51 N -0.76 0.15 -0.02 4.33 0.00 -1.26 -1.55 120.64 121.52 3djz n GLU 51 Ca 0.00 0.36 0.13 0.00 0.00 0.00 0.00 57.16 57.65 3djz n GLU 51 Cb 0.00 -1.77 0.53 0.00 0.00 0.00 0.00 31.44 30.20 3djz n GLU 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3djz n SER 52 N -2.04 1.32 -0.03 -1.84 3.41 -1.26 -4.70 113.62 108.47 3djz n SER 52 Ca 0.03 -1.50 -0.00 0.00 -0.26 0.00 0.00 58.87 57.13 3djz n SER 52 Cb 0.23 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.13 0.46 3.14 5.00 0.00 -0.60 -4.79 105.19 109.53 3djz n GLY 53 Ca 0.19 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.20 1.66 -0.52 1.61 2.02 -1.26 -0.66 118.70 120.36 3djz s GLU 54 Ca 0.00 -0.61 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 3djz s GLU 54 Cb 0.00 -1.49 0.03 0.00 0.10 0.00 0.00 34.13 32.77 3djz s GLU 54 CO 0.00 0.28 1.11 -1.25 0.02 0.00 0.00 175.26 175.42 3djz s PRO 55 N -0.08 3.58 0.15 0.39 0.04 -1.26 -0.40 135.00 137.43 3djz s PRO 55 Ca -0.01 0.31 -0.31 0.00 0.04 0.00 0.00 61.00 61.03 3djz s PRO 55 Cb -0.10 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.38 3djz s PRO 55 CO 0.01 -1.49 1.52 -3.38 0.04 0.00 0.00 177.00 173.70 3djz s HIS 56 N 4.51 3.11 -0.66 0.56 -3.43 -1.26 -4.18 115.29 113.93 3djz s HIS 56 Ca 0.43 0.72 -0.02 0.00 -0.80 0.00 0.00 55.06 55.38 3djz s HIS 56 Cb -0.08 -3.86 -0.03 0.00 -1.43 0.00 0.00 32.58 27.18 3djz s HIS 56 CO 0.28 -3.13 0.60 0.41 -2.00 0.00 0.00 174.74 170.90 3djz n GLY 57 N 3.68 -0.79 0.15 -1.38 0.00 -1.26 -4.98 105.19 100.61 3djz n GLY 57 Ca 0.13 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.26 0.51 0.00 0.99 3.38 -1.81 -3.49 115.31 114.63 3djz h LEU 58 Ca -0.24 -0.62 -0.09 0.00 0.09 0.00 0.00 57.88 57.02 3djz h LEU 58 Cb 1.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3djz h LEU 58 CO 0.27 1.05 -0.05 1.07 0.09 0.00 0.00 178.44 180.87 3djz n THR 59 N -4.34 0.00 -4.20 0.22 5.66 -1.26 -4.68 114.28 105.68 3djz n THR 59 Ca -0.08 -0.58 -0.12 0.00 -3.05 0.00 0.00 64.05 60.23 3djz n THR 59 Cb 0.53 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.55 0.70 -0.00 1.09 -4.23 -1.26 -4.54 115.64 104.86 3djz s THR 60 Ca 0.09 -1.96 0.32 0.00 -1.18 0.00 0.00 61.69 58.97 3djz s THR 60 Cb -0.00 -1.83 0.37 0.00 1.34 0.00 0.00 72.50 72.38 3djz s THR 60 CO 0.07 -0.74 1.93 -0.08 -0.54 0.00 0.00 174.62 175.26 3djz h GLU 61 N 2.87 0.00 0.00 3.99 4.81 -1.97 -1.40 114.58 122.89 3djz h GLU 61 Ca -0.36 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.66 3djz h GLU 61 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3djz h GLU 61 CO 0.64 0.00 -1.00 0.93 -0.73 0.00 0.00 179.01 178.85 3djz h GLU 62 N 0.00 0.00 0.00 1.92 4.39 -2.03 -3.27 114.58 115.59 3djz h GLU 62 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3djz h GLU 62 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3djz h GLU 62 CO 0.00 0.99 -0.90 0.93 -1.16 0.00 0.00 179.01 178.86 3djz h GLU 63 N 0.00 0.00 -4.05 2.33 5.08 -1.91 -3.40 114.58 112.63 3djz h GLU 63 Ca -0.01 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.60 3djz h GLU 63 Cb 1.77 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.85 3djz h GLU 63 CO 0.13 0.21 1.71 0.34 -1.00 0.00 0.00 179.01 180.40 3djz n PHE 64 N -2.93 3.84 -2.29 4.33 7.35 -0.56 -4.96 117.46 122.24 3djz n PHE 64 Ca -0.02 -3.04 -0.26 0.00 -0.76 0.00 0.00 57.45 53.37 3djz n PHE 64 Cb 0.69 -2.05 0.06 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 0.86 2.70 0.58 -2.13 -7.23 -1.26 -4.91 120.40 109.01 3djz s VAL 65 Ca 0.41 -0.22 -0.20 0.00 -1.81 0.00 0.00 61.98 60.15 3djz s VAL 65 Cb 0.04 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 3djz s VAL 65 CO 0.00 -0.13 1.30 -0.62 -0.31 0.00 0.00 175.10 175.35 3djz n GLU 66 N -2.78 1.43 -3.56 4.82 1.02 -1.26 -4.90 120.64 115.41 3djz n GLU 66 Ca 0.07 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3djz n GLU 66 Cb 0.60 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.86 -1.67 3.61 0.62 0.00 -1.10 -4.99 105.19 102.52 3djz n GLY 67 Ca 0.13 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.50 4.80 0.17 -0.61 1.01 -1.26 -0.80 121.20 122.00 3djz s ILE 68 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 60.65 60.74 3djz s ILE 68 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3djz s ILE 68 CO 0.00 0.42 -0.25 -0.31 0.00 0.00 0.00 174.94 174.80 3djz s TYR 69 N 0.67 2.31 -0.09 3.97 1.51 0.38 -0.82 117.35 125.28 3djz s TYR 69 Ca 0.04 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3djz s TYR 69 Cb -0.13 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 3djz s TYR 69 CO 0.02 0.44 -0.17 0.21 -1.11 0.00 0.00 175.55 174.94 3djz s LYS 70 N -2.43 2.28 -0.21 -0.62 2.20 -0.41 -1.06 119.74 119.50 3djz s LYS 70 Ca 0.18 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 3djz s LYS 70 Cb -0.09 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 3djz s LYS 70 CO 0.08 0.02 -0.07 0.08 -0.36 0.00 0.00 175.35 175.11 3djz s VAL 71 N 0.73 3.20 -0.19 4.02 1.01 0.87 -0.69 120.40 129.35 3djz s VAL 71 Ca -0.12 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3djz s VAL 71 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3djz s VAL 71 CO 0.03 0.45 -0.05 -0.70 0.00 0.00 0.00 175.10 174.82 3djz s GLU 72 N 1.32 3.47 -0.19 2.72 2.12 0.50 -0.34 118.70 128.30 3djz s GLU 72 Ca 0.04 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 3djz s GLU 72 Cb -0.14 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3djz s GLU 72 CO -0.03 0.01 -0.05 0.42 -0.54 0.00 0.00 175.26 175.06 3djz s ILE 73 N 0.95 3.53 -1.42 -3.70 1.01 0.81 -0.77 121.20 121.62 3djz s ILE 73 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 3djz s ILE 73 Cb -0.15 -2.57 0.05 0.00 0.01 0.00 0.00 42.46 39.80 3djz s ILE 73 CO 0.01 0.45 2.11 0.47 0.00 0.00 0.00 174.94 177.98 3djz n ASP 74 N 4.25 4.14 0.05 3.58 9.92 -0.63 -1.61 116.55 136.26 3djz n ASP 74 Ca -0.18 -2.87 -0.02 0.00 -0.53 0.00 0.00 54.79 51.19 3djz n ASP 74 Cb 0.52 -1.67 0.24 0.00 -0.64 0.00 0.00 41.12 39.57 3djz n ASP 74 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3djz h THR 75 N 4.30 1.26 -0.50 -3.53 1.35 -1.88 -2.99 112.91 110.92 3djz h THR 75 Ca 0.54 -1.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.09 3djz h THR 75 Cb 0.69 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3djz h THR 75 CO 1.79 0.39 0.11 0.50 -0.25 0.00 0.00 175.52 178.05 3djz h LYS 76 N 0.33 0.82 -0.42 4.72 3.64 -1.75 -0.82 116.57 123.09 3djz h LYS 76 Ca 0.05 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3djz h LYS 76 Cb 0.66 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3djz h LYS 76 CO 0.05 0.80 0.05 0.77 -2.27 0.00 0.00 179.45 178.84 3djz h SER 77 N 0.70 0.61 0.02 4.20 0.02 -1.85 -1.53 113.55 115.73 3djz h SER 77 Ca 0.16 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3djz h SER 77 Cb 0.36 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3djz h SER 77 CO 0.01 0.66 -0.01 0.22 -1.14 0.00 0.00 176.83 176.56 3djz h TYR 78 N 0.63 -0.03 -0.40 3.45 3.20 -1.23 -1.66 116.97 120.93 3djz h TYR 78 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3djz h TYR 78 Cb 0.33 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3djz h TYR 78 CO 0.01 0.20 -0.12 -1.49 -1.64 0.00 0.00 178.16 175.12 3djz h TRP 79 N -0.25 0.79 -0.54 -3.82 4.06 -1.09 -2.72 115.95 112.37 3djz h TRP 79 Ca -0.00 -0.14 0.03 0.00 2.06 0.00 0.00 58.89 60.84 3djz h TRP 79 Cb 0.24 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.16 3djz h TRP 79 CO -0.00 0.80 0.31 0.87 -3.56 0.00 0.00 178.44 176.86 3djz h LYS 80 N 0.65 0.60 -0.09 0.49 1.57 -1.20 -1.10 116.57 117.49 3djz h LYS 80 Ca 0.11 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3djz h LYS 80 Cb 0.58 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3djz h LYS 80 CO 0.04 0.40 0.10 0.00 -0.57 0.00 0.00 179.45 179.41 3djz h ALA 81 N 1.25 1.71 -0.18 3.86 0.00 -1.00 -0.49 119.26 124.42 3djz h ALA 81 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3djz h ALA 81 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3djz h ALA 81 CO -0.11 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.27 3djz n LEU 82 N -3.90 2.05 -1.31 0.00 4.77 -0.52 -4.94 117.00 113.15 3djz n LEU 82 Ca -0.01 -0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 55.00 3djz n LEU 82 Cb 0.20 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3djz n LEU 82 CO 0.28 0.42 -0.15 0.61 -1.33 0.00 0.00 177.39 177.22 3djz n GLY 83 N 1.22 0.68 3.24 -0.72 0.00 -0.19 -4.99 105.19 104.42 3djz n GLY 83 Ca 0.17 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.60 2.62 -0.15 -0.61 1.01 -0.60 -5.02 121.20 115.85 3djz s ILE 84 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 3djz s ILE 84 Cb 0.00 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3djz s ILE 84 CO 0.00 0.51 1.56 -0.55 0.00 0.00 0.00 174.94 176.46 3djz s SER 85 N 1.02 6.58 0.25 3.58 0.15 -1.26 -4.08 113.70 119.94 3djz s SER 85 Ca -0.01 1.84 0.01 0.00 0.70 0.00 0.00 55.95 58.49 3djz s SER 85 Cb -0.15 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 3djz s SER 85 CO -0.03 -1.06 0.43 -2.16 1.20 0.00 0.00 173.24 171.62 3djz s PRO 86 N 4.25 3.49 -0.16 5.44 0.04 -1.26 -4.82 135.00 141.97 3djz s PRO 86 Ca 0.69 -0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.01 3djz s PRO 86 Cb -0.27 -2.80 -0.24 0.00 0.04 0.00 0.00 34.50 31.23 3djz s PRO 86 CO 0.27 0.34 0.58 0.35 0.04 0.00 0.00 177.00 178.57 3djz h PHE 87 N 1.41 0.00 -3.70 0.56 3.57 -1.28 -3.48 116.94 114.02 3djz h PHE 87 Ca -0.50 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.51 3djz h PHE 87 Cb 1.21 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3djz h PHE 87 CO 0.51 1.16 0.11 -1.01 -2.23 0.00 0.00 178.31 176.85 3djz s HIS 88 N -2.27 3.45 0.26 0.41 3.76 -1.26 -4.96 115.29 114.68 3djz s HIS 88 Ca -0.22 1.28 0.09 0.00 -0.15 0.00 0.00 55.06 56.06 3djz s HIS 88 Cb -0.00 -2.57 0.32 0.00 1.11 0.00 0.00 32.58 31.44 3djz s HIS 88 CO 0.65 0.15 1.59 0.93 -0.85 0.00 0.00 174.74 177.22 3djz h GLU 89 N 2.56 0.04 -1.80 1.40 4.39 -1.99 -3.38 114.58 115.80 3djz h GLU 89 Ca -0.48 -0.03 0.34 0.00 0.34 0.00 0.00 59.36 59.53 3djz h GLU 89 Cb 1.18 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.74 3djz h GLU 89 CO 0.65 0.66 0.87 -3.38 -1.16 0.00 0.00 179.01 176.65 3djz s HIS 90 N -3.59 -0.00 -0.10 4.33 -3.43 -1.26 -4.03 115.29 107.21 3djz s HIS 90 Ca -0.02 -0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 3djz s HIS 90 Cb 0.12 0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 31.81 3djz s HIS 90 CO 0.77 -0.27 -0.17 0.00 -2.00 0.00 0.00 174.74 173.07 3djz s ALA 91 N -2.18 2.50 0.05 -1.38 0.00 -0.63 -4.89 121.76 115.23 3djz s ALA 91 Ca 0.22 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.33 3djz s ALA 91 Cb 0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3djz s ALA 91 CO -0.02 0.34 -0.25 -1.21 0.00 0.00 0.00 175.76 174.62 3djz s GLU 92 N 0.06 1.66 -0.10 0.00 8.01 -1.26 -0.13 118.70 126.93 3djz s GLU 92 Ca -0.07 -1.10 -0.00 0.00 0.01 0.00 0.00 54.97 53.82 3djz s GLU 92 Cb -0.15 -1.85 0.02 0.00 -4.31 0.00 0.00 34.13 27.84 3djz s GLU 92 CO 0.05 0.47 -0.07 0.08 0.01 0.00 0.00 175.26 175.80 3djz s VAL 93 N -0.83 0.94 -0.15 2.63 1.01 0.53 -4.96 120.40 119.57 3djz s VAL 93 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3djz s VAL 93 Cb -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3djz s VAL 93 CO 0.02 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.59 3djz s VAL 94 N 1.62 2.28 0.12 2.92 1.01 -1.26 -0.09 120.40 127.00 3djz s VAL 94 Ca 0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3djz s VAL 94 Cb -0.13 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3djz s VAL 94 CO -0.07 0.54 0.31 0.72 0.00 0.00 0.00 175.10 176.60 3djz s PHE 95 N 0.85 0.06 -0.21 5.22 -0.71 -0.22 -5.00 117.98 117.96 3djz s PHE 95 Ca -0.06 -0.43 -0.10 0.00 -1.04 0.00 0.00 56.93 55.31 3djz s PHE 95 Cb -0.15 0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.70 3djz s PHE 95 CO -0.02 -0.66 0.12 0.99 -1.34 0.00 0.00 175.22 174.31 3djz s THR 96 N -3.86 5.23 -0.18 -4.49 2.01 -1.26 -0.47 115.64 112.62 3djz s THR 96 Ca 0.07 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 3djz s THR 96 Cb 0.03 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3djz s THR 96 CO -0.09 0.41 0.53 0.00 -0.69 0.00 0.00 174.62 174.79 3djz s ALA 97 N 0.61 3.53 -0.07 7.40 0.00 0.02 -4.98 121.76 128.27 3djz s ALA 97 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3djz s ALA 97 Cb -0.12 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3djz s ALA 97 CO 0.01 -0.38 -0.17 1.21 0.00 0.00 0.00 175.76 176.42 3djz s ASN 98 N 1.07 2.24 0.00 0.00 3.84 -1.26 -2.70 114.94 118.12 3djz s ASN 98 Ca 0.25 -0.38 0.00 0.00 0.21 0.00 0.00 52.86 52.94 3djz s ASN 98 Cb -0.15 -0.91 0.00 0.00 -0.55 0.00 0.00 41.25 39.63 3djz s ASN 98 CO 0.10 0.10 0.76 0.47 -2.79 0.00 0.00 177.10 175.74 3djz n ASP 99 N 3.54 0.00 -0.43 -4.21 8.00 -1.26 -4.94 116.55 117.25 3djz n ASP 99 Ca -0.20 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3djz n ASP 99 Cb 0.52 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3djz n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3djz n SER 100 N -1.36 -0.73 -1.30 -2.24 7.64 -1.26 -4.51 113.62 109.87 3djz n SER 100 Ca 0.00 0.08 0.15 0.00 1.01 0.00 0.00 58.87 60.11 3djz n SER 100 Cb 0.00 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.00 -2.67 3.66 0.23 0.00 -1.26 -4.77 105.19 101.38 3djz n GLY 101 Ca 0.00 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 3djz n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3djz n PRO 102 N -4.10 1.93 -3.55 1.61 -0.02 -1.26 -5.00 135.00 124.60 3djz n PRO 102 Ca -0.07 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 3djz n PRO 102 Cb 0.59 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 3djz n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3djz s ARG 103 N -0.39 0.16 -0.17 -0.52 0.52 -1.26 -4.26 118.95 113.03 3djz s ARG 103 Ca 0.69 0.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.16 3djz s ARG 103 Cb -0.67 -0.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 3djz s ARG 103 CO 0.50 -0.52 0.20 1.03 0.02 0.00 0.00 175.30 176.52 3djz s ARG 104 N 2.34 4.09 -0.16 3.54 0.52 -0.03 -4.89 118.95 124.36 3djz s ARG 104 Ca 0.05 -0.07 -0.04 0.00 -0.52 0.00 0.00 55.73 55.15 3djz s ARG 104 Cb -0.14 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 3djz s ARG 104 CO -0.10 0.37 -0.02 0.71 0.02 0.00 0.00 175.30 176.27 3djz s TYR 105 N 0.13 3.05 -0.18 -0.53 1.51 0.25 -1.32 117.35 120.26 3djz s TYR 105 Ca 0.13 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3djz s TYR 105 Cb -0.12 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 3djz s TYR 105 CO 0.02 -0.05 -0.16 0.99 -1.11 0.00 0.00 175.55 175.24 3djz s THR 106 N 0.45 2.49 -0.37 -0.71 2.01 -0.31 -0.05 115.64 119.15 3djz s THR 106 Ca -0.03 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 3djz s THR 106 Cb -0.14 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.30 3djz s THR 106 CO 0.03 0.51 0.42 -0.63 -0.69 0.00 0.00 174.62 174.25 3djz s ILE 107 N 1.19 5.11 -0.13 1.82 -1.09 -0.07 -0.60 121.20 127.42 3djz s ILE 107 Ca 0.02 -0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 3djz s ILE 107 Cb -0.14 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 3djz s ILE 107 CO -0.07 -0.23 0.22 0.00 -1.23 0.00 0.00 174.94 173.63 3djz s ALA 108 N 2.14 3.74 -0.10 9.38 0.00 0.95 -1.22 121.76 136.65 3djz s ALA 108 Ca 0.13 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.58 3djz s ALA 108 Cb -0.16 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.79 3djz s ALA 108 CO 0.13 0.38 -0.17 0.00 0.00 0.00 0.00 175.76 176.09 3djz s ALA 109 N -0.40 1.79 -0.24 0.00 0.00 0.43 -0.86 121.76 122.49 3djz s ALA 109 Ca 0.15 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 3djz s ALA 109 Cb -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3djz s ALA 109 CO 0.04 0.03 -0.01 -1.17 0.00 0.00 0.00 175.76 174.65 3djz s LEU 110 N 0.79 3.15 -0.12 0.00 2.96 -0.62 -0.33 118.68 124.51 3djz s LEU 110 Ca -0.10 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3djz s LEU 110 Cb -0.16 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3djz s LEU 110 CO 0.01 -0.05 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.19 3djz s LEU 111 N 1.50 3.26 0.22 -0.68 1.43 0.86 -1.44 118.68 123.82 3djz s LEU 111 Ca 0.05 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 3djz s LEU 111 Cb -0.15 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3djz s LEU 111 CO -0.01 0.25 -0.07 -0.44 0.23 0.00 0.00 176.35 176.30 3djz s SER 112 N -0.13 2.25 0.33 2.29 0.01 0.38 -0.61 113.70 118.22 3djz s SER 112 Ca 0.02 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.19 3djz s SER 112 Cb -0.13 -0.08 0.62 0.00 0.21 0.00 0.00 66.02 66.64 3djz s SER 112 CO 0.03 -0.34 1.96 -0.65 0.41 0.00 0.00 173.24 174.64 3djz h PRO 113 N 2.51 0.88 -0.22 12.44 0.11 -1.97 -2.82 132.00 142.93 3djz h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3djz h PRO 113 Cb 1.22 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3djz h PRO 113 CO 0.64 0.58 0.00 0.66 -0.21 0.00 0.00 178.00 179.68 3djz n TYR 114 N -4.46 0.50 -3.64 0.65 4.02 -1.26 -0.72 117.16 112.24 3djz n TYR 114 Ca 0.10 -0.69 -0.15 0.00 -0.01 0.00 0.00 57.90 57.16 3djz n TYR 114 Cb 0.15 -0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.54 -0.60 0.06 7.72 0.15 -1.06 -4.96 113.70 113.46 3djz s SER 115 Ca 0.27 1.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.87 3djz s SER 115 Cb 0.19 1.00 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 3djz s SER 115 CO 0.09 -0.33 0.09 -0.72 1.20 0.00 0.00 173.24 173.58 3djz s TYR 116 N -0.18 0.27 0.16 3.44 -0.85 -1.26 -0.47 117.35 118.46 3djz s TYR 116 Ca -0.04 -0.69 0.09 0.00 -0.52 0.00 0.00 57.07 55.92 3djz s TYR 116 Cb -0.03 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 3djz s TYR 116 CO 0.03 -0.42 -0.21 0.45 -1.52 0.00 0.00 175.55 173.89 3djz s SER 117 N -2.56 2.85 -0.03 -0.18 0.15 -0.52 -4.98 113.70 108.42 3djz s SER 117 Ca 0.01 -0.82 -0.02 0.00 0.70 0.00 0.00 55.95 55.83 3djz s SER 117 Cb 0.03 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3djz s SER 117 CO -0.08 0.03 0.06 0.28 1.20 0.00 0.00 173.24 174.73 3djz s THR 118 N -1.73 -0.02 -0.03 6.45 -1.32 -1.26 -1.59 115.64 116.15 3djz s THR 118 Ca 0.15 0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 60.67 3djz s THR 118 Cb -0.07 -0.11 0.01 0.00 -1.51 0.00 0.00 72.50 70.82 3djz s THR 118 CO 0.07 0.03 0.08 0.28 -2.21 0.00 0.00 174.62 172.86 3djz s THR 119 N 0.36 -0.02 -0.20 5.08 -1.32 -0.03 -4.98 115.64 114.52 3djz s THR 119 Ca -0.03 0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.36 3djz s THR 119 Cb -0.04 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.79 3djz s THR 119 CO -0.01 0.02 0.36 0.00 -2.21 0.00 0.00 174.62 172.78 3djz s ALA 120 N 0.34 3.57 -0.31 11.08 0.00 -1.26 -0.04 121.76 135.14 3djz s ALA 120 Ca -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 3djz s ALA 120 Cb -0.04 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.54 3djz s ALA 120 CO -0.01 -0.26 0.04 0.08 0.00 0.00 0.00 175.76 175.61 3djz s VAL 121 N 1.23 3.45 -0.35 0.00 1.01 0.23 -4.98 120.40 120.98 3djz s VAL 121 Ca 0.17 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 3djz s VAL 121 Cb -0.14 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3djz s VAL 121 CO 0.07 -0.05 0.16 -0.69 0.00 0.00 0.00 175.10 174.59 3djz s VAL 122 N 1.37 4.31 0.09 2.92 1.01 -1.26 -1.16 120.40 127.67 3djz s VAL 122 Ca -0.02 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.17 3djz s VAL 122 Cb -0.19 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3djz s VAL 122 CO 0.01 -0.16 -0.15 0.42 0.00 0.00 0.00 175.10 175.21 3djz s THR 123 N 1.51 3.00 -2.00 3.92 -4.23 -0.43 -4.96 115.64 112.45 3djz s THR 123 Ca 0.01 -1.33 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 3djz s THR 123 Cb -0.19 -2.35 0.33 0.00 1.34 0.00 0.00 72.50 71.63 3djz s THR 123 CO 0.05 0.17 1.13 -3.20 -0.54 0.00 0.00 174.62 172.24