#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cn0 s LEU 12 N 0.00 0.99 0.03 1.53 2.96 -1.26 -0.41 118.68 122.53 3cn0 s LEU 12 Ca 0.00 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3cn0 s LEU 12 Cb 0.00 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 3cn0 s LEU 12 CO 0.00 -0.12 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.45 3cn0 s MET 13 N 1.50 0.97 -0.08 1.98 -2.45 -0.14 -4.44 119.30 116.65 3cn0 s MET 13 Ca -0.02 -0.71 0.05 0.00 -1.25 0.00 0.00 55.69 53.76 3cn0 s MET 13 Cb -0.13 -0.97 -0.00 0.00 1.25 0.00 0.00 34.83 34.97 3cn0 s MET 13 CO -0.03 0.25 -0.24 0.08 1.05 0.00 0.00 175.02 176.12 3cn0 s VAL 14 N -0.76 2.00 -0.04 10.11 1.01 -1.02 -0.93 120.40 130.77 3cn0 s VAL 14 Ca 0.02 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3cn0 s VAL 14 Cb -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3cn0 s VAL 14 CO 0.01 0.55 -0.14 -0.75 0.00 0.00 0.00 175.10 174.77 3cn0 s LYS 15 N 0.09 1.48 -0.06 2.72 2.20 -0.16 -0.81 119.74 125.20 3cn0 s LYS 15 Ca -0.11 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 3cn0 s LYS 15 Cb -0.16 -1.30 0.02 0.00 -1.51 0.00 0.00 37.83 34.88 3cn0 s LYS 15 CO 0.06 0.18 -0.07 0.08 -0.36 0.00 0.00 175.35 175.24 3cn0 s VAL 16 N 0.15 0.73 0.16 4.02 1.01 -0.07 -0.95 120.40 125.45 3cn0 s VAL 16 Ca -0.05 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.81 3cn0 s VAL 16 Cb -0.11 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3cn0 s VAL 16 CO 0.02 0.27 -0.21 -0.76 0.00 0.00 0.00 175.10 174.42 3cn0 s LEU 17 N 0.93 2.41 -0.30 3.92 1.43 -0.14 -0.91 118.68 126.02 3cn0 s LEU 17 Ca -0.11 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.12 3cn0 s LEU 17 Cb -0.15 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.13 3cn0 s LEU 17 CO 0.00 0.05 0.05 -0.62 0.23 0.00 0.00 176.35 176.06 3cn0 s ASP 18 N -2.51 5.00 0.01 2.29 -1.08 0.36 -0.57 116.67 120.17 3cn0 s ASP 18 Ca 0.16 -1.00 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 3cn0 s ASP 18 Cb -0.07 -1.80 1.20 0.00 -1.46 0.00 0.00 42.92 40.78 3cn0 s ASP 18 CO 0.07 -0.24 1.91 0.00 0.52 0.00 0.00 175.17 177.43 3cn0 n ALA 19 N 4.76 2.31 0.03 3.66 0.00 -0.08 -1.18 120.51 130.01 3cn0 n ALA 19 Ca -0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 3cn0 n ALA 19 Cb 0.46 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 3cn0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cn0 h VAL 20 N 0.00 0.91 0.00 0.00 2.07 -1.95 -3.39 116.25 113.89 3cn0 h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3cn0 h VAL 20 Cb 0.51 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3cn0 h VAL 20 CO 0.00 0.79 -1.18 0.54 0.02 0.00 0.00 177.57 177.74 3cn0 n ARG 21 N -3.73 0.47 -2.81 1.57 1.74 -1.25 -5.02 116.66 107.63 3cn0 n ARG 21 Ca -0.26 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.68 3cn0 n ARG 21 Cb 0.99 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 31.02 3cn0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cn0 n GLY 22 N 1.44 0.08 3.26 -0.13 0.00 -0.33 -5.03 105.19 104.48 3cn0 n GLY 22 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3cn0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cn0 s SER 23 N -3.55 0.11 0.60 1.61 1.04 -1.02 -5.00 113.70 107.49 3cn0 s SER 23 Ca 0.08 -0.81 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 3cn0 s SER 23 Cb -0.03 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 3cn0 s SER 23 CO 0.37 -0.80 1.22 -2.65 0.98 0.00 0.00 173.24 172.35 3cn0 n PRO 24 N -0.13 1.22 -3.13 4.02 -0.02 -1.26 -0.49 135.00 135.21 3cn0 n PRO 24 Ca -0.11 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 3cn0 n PRO 24 Cb 0.63 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3cn0 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cn0 s ALA 25 N -1.39 3.36 -0.02 3.55 0.00 -0.08 -4.58 121.76 122.60 3cn0 s ALA 25 Ca 0.77 -1.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 3cn0 s ALA 25 Cb -0.41 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 3cn0 s ALA 25 CO 0.45 -1.95 0.25 0.42 0.00 0.00 0.00 175.76 174.93 3cn0 s ILE 26 N 2.74 5.32 -1.53 0.00 1.01 -1.26 -4.35 121.20 123.13 3cn0 s ILE 26 Ca 0.18 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 3cn0 s ILE 26 Cb -0.17 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3cn0 s ILE 26 CO 0.14 0.45 0.65 0.59 0.00 0.00 0.00 174.94 176.77 3cn0 n ASN 27 N 1.39 -6.13 -4.72 3.58 3.02 -0.46 -4.95 115.26 107.00 3cn0 n ASN 27 Ca -0.14 -0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 3cn0 n ASN 27 Cb 0.53 -4.92 -0.05 0.00 -0.61 0.00 0.00 39.78 34.73 3cn0 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cn0 s VAL 28 N -3.19 5.07 0.18 2.41 1.01 -1.26 -4.77 120.40 119.84 3cn0 s VAL 28 Ca 0.32 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 3cn0 s VAL 28 Cb -0.14 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 3cn0 s VAL 28 CO 0.40 0.26 1.08 0.00 0.00 0.00 0.00 175.10 176.84 3cn0 s ALA 29 N 0.79 3.36 -0.07 5.51 0.00 -1.26 -0.92 121.76 129.18 3cn0 s ALA 29 Ca 0.36 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.11 3cn0 s ALA 29 Cb -0.17 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3cn0 s ALA 29 CO 0.17 -0.16 -0.08 0.08 0.00 0.00 0.00 175.76 175.76 3cn0 s VAL 30 N -0.31 0.87 -0.08 0.00 1.01 -0.16 -0.79 120.40 120.93 3cn0 s VAL 30 Ca 0.48 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3cn0 s VAL 30 Cb -0.29 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3cn0 s VAL 30 CO 0.35 0.31 -0.22 -1.00 0.00 0.00 0.00 175.10 174.54 3cn0 s HIS 31 N 1.06 2.56 -0.07 5.22 3.76 -0.17 -1.64 115.29 126.01 3cn0 s HIS 31 Ca -0.08 -0.80 0.02 0.00 -0.15 0.00 0.00 55.06 54.05 3cn0 s HIS 31 Cb -0.14 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 3cn0 s HIS 31 CO -0.01 -0.27 -0.11 0.08 -0.85 0.00 0.00 174.74 173.59 3cn0 s VAL 32 N 0.07 3.34 0.11 -0.90 1.01 0.18 -0.16 120.40 124.05 3cn0 s VAL 32 Ca -0.10 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3cn0 s VAL 32 Cb -0.15 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3cn0 s VAL 32 CO 0.06 0.59 -0.17 -0.36 0.00 0.00 0.00 175.10 175.21 3cn0 s PHE 33 N -0.64 1.55 -0.02 5.22 0.40 0.24 -0.98 117.98 123.75 3cn0 s PHE 33 Ca 0.09 -0.47 0.08 0.00 -0.60 0.00 0.00 56.93 56.03 3cn0 s PHE 33 Cb -0.11 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 3cn0 s PHE 33 CO 0.01 0.17 -0.26 0.50 0.70 0.00 0.00 175.22 176.34 3cn0 s ARG 34 N -2.19 2.11 -0.06 0.44 3.52 0.01 -0.97 118.95 121.81 3cn0 s ARG 34 Ca 0.06 -0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 3cn0 s ARG 34 Cb -0.08 -2.04 -0.03 0.00 -1.56 0.00 0.00 34.95 31.24 3cn0 s ARG 34 CO 0.04 0.56 1.22 0.21 -0.81 0.00 0.00 175.30 176.51 3cn0 s LYS 35 N -0.62 4.34 0.72 5.12 2.20 0.06 -0.77 119.74 130.80 3cn0 s LYS 35 Ca 0.10 1.69 -0.09 0.00 -0.36 0.00 0.00 55.97 57.31 3cn0 s LYS 35 Cb -0.10 -3.57 0.05 0.00 -1.51 0.00 0.00 37.83 32.70 3cn0 s LYS 35 CO -0.01 -0.47 1.06 0.00 -0.36 0.00 0.00 175.35 175.57 3cn0 s ALA 36 N 2.32 2.99 0.31 3.13 0.00 -0.07 -4.76 121.76 125.67 3cn0 s ALA 36 Ca 0.56 -0.73 0.23 0.00 0.00 0.00 0.00 51.96 52.03 3cn0 s ALA 36 Cb -0.25 -2.77 1.12 0.00 0.00 0.00 0.00 23.12 21.22 3cn0 s ALA 36 CO 0.22 -1.32 1.93 0.00 0.00 0.00 0.00 175.76 176.59 3cn0 h ALA 37 N -0.68 1.20 -0.23 0.00 0.00 -1.95 -0.18 119.26 117.41 3cn0 h ALA 37 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3cn0 h ALA 37 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3cn0 h ALA 37 CO 0.63 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 3cn0 n ASP 38 N -3.63 1.95 -0.11 0.00 5.75 -1.26 -4.92 116.55 114.33 3cn0 n ASP 38 Ca -0.01 -2.15 -0.01 0.00 -0.01 0.00 0.00 54.79 52.61 3cn0 n ASP 38 Cb 0.34 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3cn0 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cn0 n ASP 39 N 0.24 -4.74 -4.92 -1.12 8.00 -0.08 -5.02 116.55 108.92 3cn0 n ASP 39 Ca 0.09 0.03 -0.26 0.00 0.71 0.00 0.00 54.79 55.36 3cn0 n ASP 39 Cb 0.38 -2.36 0.01 0.00 -0.02 0.00 0.00 41.12 39.13 3cn0 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cn0 s THR 40 N -1.53 4.54 -0.28 -3.53 -4.23 -1.26 -4.81 115.64 104.53 3cn0 s THR 40 Ca 0.00 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 3cn0 s THR 40 Cb 0.00 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 3cn0 s THR 40 CO 0.00 -0.67 0.45 0.26 -0.54 0.00 0.00 174.62 174.12 3cn0 s TRP 41 N -2.73 3.24 -0.13 3.99 0.52 -1.26 -0.89 118.94 121.68 3cn0 s TRP 41 Ca 0.48 0.44 -0.05 0.00 0.02 0.00 0.00 56.10 56.99 3cn0 s TRP 41 Cb -0.10 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 3cn0 s TRP 41 CO 0.43 -0.31 0.06 -1.83 0.02 0.00 0.00 176.95 175.32 3cn0 s GLU 42 N 2.21 3.43 0.23 4.98 -1.05 0.06 -4.90 118.70 123.66 3cn0 s GLU 42 Ca 0.18 -0.31 -0.31 0.00 -0.15 0.00 0.00 54.97 54.37 3cn0 s GLU 42 Cb -0.16 -3.03 -0.14 0.00 -0.44 0.00 0.00 34.13 30.36 3cn0 s GLU 42 CO 0.10 0.58 1.30 -2.30 0.95 0.00 0.00 175.26 175.89 3cn0 n PRO 43 N 2.55 1.74 0.00 -4.83 -0.02 -1.26 -0.81 135.00 132.37 3cn0 n PRO 43 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3cn0 n PRO 43 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3cn0 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cn0 n PHE 44 N 1.55 0.00 -3.54 6.00 7.35 -0.15 -4.76 117.46 123.90 3cn0 n PHE 44 Ca 0.12 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.66 3cn0 n PHE 44 Cb 0.30 0.05 -0.05 0.00 0.35 0.00 0.00 39.48 40.12 3cn0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cn0 s ALA 45 N -1.93 -1.84 0.21 3.13 0.00 -0.99 -5.00 121.76 115.33 3cn0 s ALA 45 Ca 0.00 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 3cn0 s ALA 45 Cb 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3cn0 s ALA 45 CO 0.00 -0.35 0.57 -1.54 0.00 0.00 0.00 175.76 174.43 3cn0 s SER 46 N -1.20 -0.29 -0.03 0.00 1.04 -1.26 0.47 113.70 112.42 3cn0 s SER 46 Ca -0.06 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 55.75 3cn0 s SER 46 Cb -0.00 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3cn0 s SER 46 CO 0.06 -1.10 0.70 0.61 0.98 0.00 0.00 173.24 174.49 3cn0 n GLY 47 N -0.37 0.31 3.34 7.32 0.00 -0.65 -5.00 105.19 110.13 3cn0 n GLY 47 Ca -0.09 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 3cn0 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cn0 s LYS 48 N -2.00 2.52 0.62 1.61 -0.14 -1.26 -0.99 119.74 120.09 3cn0 s LYS 48 Ca 0.17 -0.84 -0.19 0.00 -1.36 0.00 0.00 55.97 53.75 3cn0 s LYS 48 Cb -0.00 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 3cn0 s LYS 48 CO -0.01 0.47 1.28 0.95 -0.76 0.00 0.00 175.35 177.27 3cn0 s THR 49 N -0.36 2.22 0.68 2.17 -4.23 -0.09 -4.79 115.64 111.24 3cn0 s THR 49 Ca 0.03 0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 3cn0 s THR 49 Cb -0.12 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.81 3cn0 s THR 49 CO 0.02 -0.03 0.92 -1.54 -0.54 0.00 0.00 174.62 173.46 3cn0 n SER 50 N -1.72 0.15 0.31 3.99 3.41 0.13 -1.36 113.62 118.53 3cn0 n SER 50 Ca 0.15 -1.38 0.19 0.00 -0.26 0.00 0.00 58.87 57.57 3cn0 n SER 50 Cb 0.48 -0.70 1.03 0.00 -0.26 0.00 0.00 64.21 64.76 3cn0 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cn0 h GLU 51 N 0.00 0.00 -0.29 4.33 4.39 -1.94 -0.34 114.58 120.72 3cn0 h GLU 51 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3cn0 h GLU 51 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3cn0 h GLU 51 CO 0.22 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.94 3cn0 n SER 52 N -3.28 2.70 -0.14 1.42 3.41 -1.26 -4.81 113.62 111.66 3cn0 n SER 52 Ca -0.02 -1.88 -0.02 0.00 -0.26 0.00 0.00 58.87 56.69 3cn0 n SER 52 Cb 0.19 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3cn0 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cn0 n GLY 53 N 1.34 0.54 3.53 5.00 0.00 -0.14 -4.79 105.19 110.67 3cn0 n GLY 53 Ca 0.18 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3cn0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cn0 s GLU 54 N -1.37 1.94 -0.21 1.61 2.02 -1.26 -0.89 118.70 120.53 3cn0 s GLU 54 Ca 0.00 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 3cn0 s GLU 54 Cb 0.00 -2.20 0.06 0.00 0.10 0.00 0.00 34.13 32.09 3cn0 s GLU 54 CO 0.00 0.49 -0.03 -1.17 0.02 0.00 0.00 175.26 174.58 3cn0 s LEU 55 N -2.16 2.04 0.34 1.80 2.96 0.01 -0.70 118.68 122.97 3cn0 s LEU 55 Ca 0.19 -1.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.17 3cn0 s LEU 55 Cb -0.11 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 3cn0 s LEU 55 CO 0.12 -0.25 0.25 -1.00 -1.32 0.00 0.00 176.35 174.14 3cn0 s HIS 56 N 1.56 2.85 -0.68 5.38 3.76 -1.26 -2.44 115.29 124.46 3cn0 s HIS 56 Ca -0.04 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3cn0 s HIS 56 Cb -0.18 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.77 3cn0 s HIS 56 CO -0.07 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 3cn0 n GLY 57 N -1.30 0.85 0.28 -2.22 0.00 -1.26 -4.92 105.19 96.61 3cn0 n GLY 57 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 3cn0 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cn0 h LEU 58 N 0.00 0.63 0.00 0.99 3.38 -1.85 -3.47 115.31 114.99 3cn0 h LEU 58 Ca -0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 3cn0 h LEU 58 Cb 0.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3cn0 h LEU 58 CO 0.19 0.67 0.08 1.07 0.09 0.00 0.00 178.44 180.54 3cn0 n THR 59 N -4.26 0.00 -4.34 0.22 5.66 -1.26 -4.80 114.28 105.50 3cn0 n THR 59 Ca 0.02 -0.84 -0.18 0.00 -3.05 0.00 0.00 64.05 60.01 3cn0 n THR 59 Cb 0.25 0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 69.60 3cn0 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cn0 s THR 60 N -2.52 1.53 0.30 1.09 -4.23 -1.26 -4.48 115.64 106.07 3cn0 s THR 60 Ca 0.14 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 3cn0 s THR 60 Cb -0.02 -2.10 0.29 0.00 1.34 0.00 0.00 72.50 72.01 3cn0 s THR 60 CO 0.10 -0.56 1.88 -0.33 -0.54 0.00 0.00 174.62 175.17 3cn0 h GLU 61 N 2.55 0.94 -0.89 3.99 5.08 -2.00 -1.73 114.58 122.53 3cn0 h GLU 61 Ca -0.38 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3cn0 h GLU 61 Cb 1.22 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3cn0 h GLU 61 CO 0.63 0.62 0.52 1.49 -1.00 0.00 0.00 179.01 181.27 3cn0 h GLU 62 N 0.96 1.22 0.00 2.33 4.57 -2.04 -3.05 114.58 118.58 3cn0 h GLU 62 Ca 0.44 -0.12 -0.17 0.00 -1.18 0.00 0.00 59.36 58.33 3cn0 h GLU 62 Cb 0.38 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3cn0 h GLU 62 CO -0.19 0.87 -0.91 0.93 -1.18 0.00 0.00 179.01 178.53 3cn0 h GLU 63 N 1.23 0.00 -3.42 1.92 5.08 -1.84 -3.40 114.58 114.16 3cn0 h GLU 63 Ca 0.32 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.93 3cn0 h GLU 63 Cb -0.02 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.11 3cn0 h GLU 63 CO -0.06 0.64 2.33 0.34 -1.00 0.00 0.00 179.01 181.27 3cn0 n PHE 64 N -3.21 2.94 -1.70 4.33 7.35 -0.70 -4.97 117.46 121.50 3cn0 n PHE 64 Ca -0.02 -2.83 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 3cn0 n PHE 64 Cb 0.85 -2.04 0.08 0.00 0.35 0.00 0.00 39.48 38.71 3cn0 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cn0 s VAL 65 N 0.65 3.05 0.41 -2.13 -7.23 -1.26 -4.96 120.40 108.92 3cn0 s VAL 65 Ca 0.44 0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 60.70 3cn0 s VAL 65 Cb 0.12 -3.20 -0.10 0.00 0.56 0.00 0.00 36.38 33.75 3cn0 s VAL 65 CO -0.03 -0.45 1.18 -0.62 -0.31 0.00 0.00 175.10 174.88 3cn0 n GLU 66 N -3.29 1.73 -3.99 4.82 1.02 -1.26 -4.86 120.64 114.82 3cn0 n GLU 66 Ca 0.07 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3cn0 n GLU 66 Cb 0.57 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3cn0 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cn0 n GLY 67 N 0.94 -2.57 3.69 0.62 0.00 -1.17 -4.97 105.19 101.73 3cn0 n GLY 67 Ca 0.07 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 3cn0 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cn0 s ILE 68 N -2.24 5.24 0.14 -0.61 1.01 -1.26 -0.57 121.20 122.91 3cn0 s ILE 68 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 60.65 60.88 3cn0 s ILE 68 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3cn0 s ILE 68 CO 0.00 0.42 -0.23 -0.31 0.00 0.00 0.00 174.94 174.82 3cn0 s TYR 69 N 0.55 2.07 -0.10 3.97 1.51 0.15 -0.76 117.35 124.74 3cn0 s TYR 69 Ca 0.07 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3cn0 s TYR 69 Cb -0.12 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 3cn0 s TYR 69 CO 0.00 0.34 -0.18 0.21 -1.11 0.00 0.00 175.55 174.81 3cn0 s LYS 70 N -2.29 2.40 -0.29 -0.62 2.20 -0.15 -1.30 119.74 119.70 3cn0 s LYS 70 Ca 0.14 -0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 3cn0 s LYS 70 Cb -0.09 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 3cn0 s LYS 70 CO 0.07 0.03 0.07 0.08 -0.36 0.00 0.00 175.35 175.23 3cn0 s VAL 71 N 0.72 3.90 -0.19 4.02 1.01 0.38 -0.59 120.40 129.65 3cn0 s VAL 71 Ca -0.12 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 3cn0 s VAL 71 Cb -0.16 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3cn0 s VAL 71 CO 0.02 0.09 0.03 -0.70 0.00 0.00 0.00 175.10 174.54 3cn0 s GLU 72 N 1.49 3.78 -0.17 2.72 2.12 0.77 -0.61 118.70 128.79 3cn0 s GLU 72 Ca 0.02 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 3cn0 s GLU 72 Cb -0.17 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 3cn0 s GLU 72 CO 0.02 0.13 -0.08 0.42 -0.54 0.00 0.00 175.26 175.22 3cn0 s ILE 73 N 0.71 3.34 -1.39 -3.70 1.01 0.92 -1.00 121.20 121.09 3cn0 s ILE 73 Ca 0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 3cn0 s ILE 73 Cb -0.14 -2.47 0.09 0.00 0.01 0.00 0.00 42.46 39.95 3cn0 s ILE 73 CO 0.02 0.48 2.07 -0.67 0.00 0.00 0.00 174.94 176.84 3cn0 n ASP 74 N 4.08 4.36 -0.07 3.58 2.03 0.03 -1.59 116.55 128.97 3cn0 n ASP 74 Ca -0.18 -2.94 -0.05 0.00 0.52 0.00 0.00 54.79 52.14 3cn0 n ASP 74 Cb 0.52 -1.60 0.16 0.00 -0.72 0.00 0.00 41.12 39.48 3cn0 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3cn0 h THR 75 N 3.99 1.25 -0.33 5.18 1.35 -1.87 -3.10 112.91 119.38 3cn0 h THR 75 Ca 0.50 -1.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.23 3cn0 h THR 75 Cb 0.65 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 3cn0 h THR 75 CO 1.77 0.38 0.21 0.50 -0.25 0.00 0.00 175.52 178.13 3cn0 h LYS 76 N 0.63 0.42 -0.62 4.72 3.64 -1.74 -1.83 116.57 121.79 3cn0 h LYS 76 Ca 0.11 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3cn0 h LYS 76 Cb 0.57 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3cn0 h LYS 76 CO 0.04 0.28 0.31 0.77 -2.27 0.00 0.00 179.45 178.57 3cn0 h SER 77 N 0.43 0.78 0.16 4.20 0.02 -1.87 -1.27 113.55 116.00 3cn0 h SER 77 Ca 0.12 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3cn0 h SER 77 Cb -0.03 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3cn0 h SER 77 CO -0.04 0.66 -0.10 0.22 -1.14 0.00 0.00 176.83 176.44 3cn0 h TYR 78 N 0.87 -0.25 -0.47 3.45 3.20 -1.36 -1.56 116.97 120.86 3cn0 h TYR 78 Ca 0.22 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 3cn0 h TYR 78 Cb 0.08 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3cn0 h TYR 78 CO 0.01 -0.15 -0.12 -1.49 -1.64 0.00 0.00 178.16 174.76 3cn0 h TRP 79 N -0.25 1.04 -0.83 -3.82 4.06 -1.16 -2.86 115.95 112.14 3cn0 h TRP 79 Ca -0.01 -0.23 0.01 0.00 2.06 0.00 0.00 58.89 60.72 3cn0 h TRP 79 Cb 0.21 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 3cn0 h TRP 79 CO -0.08 1.01 0.55 0.87 -3.56 0.00 0.00 178.44 177.22 3cn0 h LYS 80 N 0.77 1.07 0.00 0.49 1.57 -1.15 -0.90 116.57 118.42 3cn0 h LYS 80 Ca 0.12 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3cn0 h LYS 80 Cb 0.68 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3cn0 h LYS 80 CO 0.05 0.71 -0.12 0.00 -0.57 0.00 0.00 179.45 179.52 3cn0 h ALA 81 N 1.49 1.31 -0.08 3.86 0.00 -1.06 -0.64 119.26 124.15 3cn0 h ALA 81 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3cn0 h ALA 81 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3cn0 h ALA 81 CO -0.07 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3cn0 n LEU 82 N -3.67 1.38 -0.63 0.00 4.77 -0.52 -4.94 117.00 113.40 3cn0 n LEU 82 Ca -0.02 -0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 55.38 3cn0 n LEU 82 Cb 0.23 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3cn0 n LEU 82 CO 0.30 0.26 -0.07 0.61 -1.33 0.00 0.00 177.39 177.16 3cn0 n GLY 83 N 1.12 0.44 3.36 -0.72 0.00 -0.25 -5.04 105.19 104.11 3cn0 n GLY 83 Ca 0.18 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 3cn0 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cn0 s ILE 84 N -2.28 2.70 -0.33 -0.61 1.01 -0.46 -5.01 121.20 116.23 3cn0 s ILE 84 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.58 3cn0 s ILE 84 Cb 0.00 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.41 3cn0 s ILE 84 CO 0.00 0.56 0.85 -0.55 0.00 0.00 0.00 174.94 175.80 3cn0 s SER 85 N -0.11 6.69 0.41 3.58 0.15 -1.26 -3.21 113.70 119.95 3cn0 s SER 85 Ca -0.03 0.66 0.08 0.00 0.70 0.00 0.00 55.95 57.36 3cn0 s SER 85 Cb -0.14 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3cn0 s SER 85 CO 0.04 -0.71 0.48 -2.16 1.20 0.00 0.00 173.24 172.10 3cn0 s PRO 86 N 3.15 2.73 -0.14 5.44 0.04 -1.26 -4.94 135.00 140.03 3cn0 s PRO 86 Ca 0.35 -1.35 -0.25 0.00 0.04 0.00 0.00 61.00 59.80 3cn0 s PRO 86 Cb -0.13 -2.61 -0.25 0.00 0.04 0.00 0.00 34.50 31.54 3cn0 s PRO 86 CO 0.14 -0.22 0.64 0.35 0.04 0.00 0.00 177.00 177.96 3cn0 h PHE 87 N 0.82 0.13 -3.56 0.56 3.57 -1.34 -3.48 116.94 113.64 3cn0 h PHE 87 Ca -0.41 -0.10 -0.52 0.00 3.53 0.00 0.00 57.97 60.47 3cn0 h PHE 87 Cb 1.27 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 3cn0 h PHE 87 CO 0.45 1.22 -0.02 -1.01 -2.23 0.00 0.00 178.31 176.72 3cn0 s HIS 88 N -2.31 3.41 0.25 0.41 3.76 -1.26 -4.98 115.29 114.57 3cn0 s HIS 88 Ca -0.20 1.04 0.01 0.00 -0.15 0.00 0.00 55.06 55.76 3cn0 s HIS 88 Cb 0.00 -2.39 0.29 0.00 1.11 0.00 0.00 32.58 31.60 3cn0 s HIS 88 CO 0.70 0.20 1.62 0.93 -0.85 0.00 0.00 174.74 177.34 3cn0 h GLU 89 N 2.47 0.44 -1.84 1.40 4.39 -1.98 -3.38 114.58 116.08 3cn0 h GLU 89 Ca -0.47 -0.22 0.27 0.00 0.34 0.00 0.00 59.36 59.27 3cn0 h GLU 89 Cb 1.17 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.73 3cn0 h GLU 89 CO 0.67 0.79 0.71 -3.38 -1.16 0.00 0.00 179.01 176.64 3cn0 s HIS 90 N -4.17 -0.06 -0.13 4.33 -3.43 -1.26 -3.83 115.29 106.74 3cn0 s HIS 90 Ca -0.06 -0.13 -0.02 0.00 -0.80 0.00 0.00 55.06 54.05 3cn0 s HIS 90 Cb 0.13 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 3cn0 s HIS 90 CO 0.81 -0.49 -0.07 0.00 -2.00 0.00 0.00 174.74 172.99 3cn0 s ALA 91 N -2.65 2.91 -0.05 -1.38 0.00 -0.62 -4.89 121.76 115.07 3cn0 s ALA 91 Ca 0.15 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3cn0 s ALA 91 Cb 0.02 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.74 3cn0 s ALA 91 CO -0.01 0.30 -0.12 -1.83 0.00 0.00 0.00 175.76 174.10 3cn0 s GLU 92 N 0.11 1.53 -0.21 0.00 4.04 -1.26 -0.06 118.70 122.85 3cn0 s GLU 92 Ca -0.02 -0.41 -0.01 0.00 0.04 0.00 0.00 54.97 54.57 3cn0 s GLU 92 Cb -0.14 -1.31 0.01 0.00 0.02 0.00 0.00 34.13 32.72 3cn0 s GLU 92 CO 0.03 0.08 -0.12 0.08 -1.84 0.00 0.00 175.26 173.49 3cn0 s VAL 93 N 0.48 2.65 -0.12 1.83 1.01 0.21 -4.95 120.40 121.51 3cn0 s VAL 93 Ca -0.10 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3cn0 s VAL 93 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3cn0 s VAL 93 CO 0.03 0.41 -0.22 -0.69 0.00 0.00 0.00 175.10 174.63 3cn0 s VAL 94 N 1.35 2.01 0.15 2.92 1.01 -1.26 -0.47 120.40 126.11 3cn0 s VAL 94 Ca 0.04 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3cn0 s VAL 94 Cb -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3cn0 s VAL 94 CO -0.08 0.54 0.44 0.72 0.00 0.00 0.00 175.10 176.73 3cn0 s PHE 95 N 0.57 -0.16 -0.19 5.22 -0.71 -0.42 -5.00 117.98 117.29 3cn0 s PHE 95 Ca -0.14 -0.16 -0.09 0.00 -1.04 0.00 0.00 56.93 55.50 3cn0 s PHE 95 Cb -0.17 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 3cn0 s PHE 95 CO 0.04 -0.78 0.12 0.99 -1.34 0.00 0.00 175.22 174.25 3cn0 s THR 96 N -3.83 5.31 -0.05 -4.49 2.01 -1.26 -0.68 115.64 112.65 3cn0 s THR 96 Ca 0.06 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 3cn0 s THR 96 Cb 0.01 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3cn0 s THR 96 CO -0.09 0.46 0.76 0.00 -0.69 0.00 0.00 174.62 175.06 3cn0 s ALA 97 N 0.23 3.30 -0.10 7.40 0.00 0.26 -4.97 121.76 127.88 3cn0 s ALA 97 Ca 0.08 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3cn0 s ALA 97 Cb -0.11 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3cn0 s ALA 97 CO -0.01 -0.13 -0.13 -0.80 0.00 0.00 0.00 175.76 174.70 3cn0 s ASN 98 N 0.84 2.19 0.45 0.00 0.01 -1.26 -3.04 114.94 114.13 3cn0 s ASN 98 Ca 0.40 -0.36 0.24 0.00 -0.71 0.00 0.00 52.86 52.43 3cn0 s ASN 98 Cb -0.18 -0.96 1.04 0.00 0.41 0.00 0.00 41.25 41.56 3cn0 s ASN 98 CO 0.20 -0.01 1.89 0.44 -1.51 0.00 0.00 177.10 178.10 3cn0 h ASP 99 N 7.49 0.00 1.27 -1.22 3.32 -1.97 -2.75 116.42 122.55 3cn0 h ASP 99 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3cn0 h ASP 99 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3cn0 h ASP 99 CO 0.47 0.22 -0.08 -1.54 -1.72 0.00 0.00 179.24 176.59 3cn0 n SER 100 N -3.50 0.59 -4.34 6.45 3.41 -1.26 -4.79 113.62 110.18 3cn0 n SER 100 Ca -0.01 0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 58.79 3cn0 n SER 100 Cb 0.38 -0.60 0.16 0.00 -0.26 0.00 0.00 64.21 63.90 3cn0 n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3cn0 s GLY 101 N -3.42 1.73 1.08 5.00 0.00 -1.04 -5.06 107.32 105.61 3cn0 s GLY 101 Ca 0.11 -1.05 -0.14 0.00 0.00 0.00 0.00 44.72 43.64 3cn0 s GLY 101 CO 0.59 -0.36 0.71 -1.05 0.00 0.00 0.00 173.10 173.00 3cn0 n PRO 102 N -3.65 -1.57 0.03 2.90 -0.02 -1.26 -4.96 135.00 126.48 3cn0 n PRO 102 Ca 0.13 -0.42 0.11 0.00 -2.02 0.00 0.00 63.50 61.30 3cn0 n PRO 102 Cb 0.60 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 3cn0 n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cn0 n ARG 103 N -3.67 0.53 -5.14 -0.52 5.12 0.33 -4.74 116.66 108.58 3cn0 n ARG 103 Ca 0.05 -0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.60 3cn0 n ARG 103 Cb 0.55 -1.62 -0.17 0.00 -1.16 0.00 0.00 32.46 30.07 3cn0 n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3cn0 s ARG 104 N -3.38 2.80 -0.16 5.56 0.52 0.39 -4.75 118.95 119.93 3cn0 s ARG 104 Ca -0.03 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 3cn0 s ARG 104 Cb 0.13 -2.15 -0.00 0.00 0.52 0.00 0.00 34.95 33.44 3cn0 s ARG 104 CO 0.85 0.18 -0.13 0.71 0.02 0.00 0.00 175.30 176.93 3cn0 s TYR 105 N 0.32 2.82 -0.19 -0.53 1.51 0.46 -1.43 117.35 120.30 3cn0 s TYR 105 Ca -0.17 -0.97 -0.02 0.00 -1.01 0.00 0.00 57.07 54.90 3cn0 s TYR 105 Cb -0.17 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 3cn0 s TYR 105 CO 0.08 -0.45 -0.08 0.99 -1.11 0.00 0.00 175.55 174.98 3cn0 s THR 106 N 0.86 3.16 -0.35 -0.71 2.01 0.07 -0.96 115.64 119.73 3cn0 s THR 106 Ca -0.04 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3cn0 s THR 106 Cb -0.15 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 3cn0 s THR 106 CO -0.00 0.46 0.21 -0.63 -0.69 0.00 0.00 174.62 173.97 3cn0 s ILE 107 N 1.17 4.92 -0.08 1.82 -1.09 -0.11 -1.04 121.20 126.80 3cn0 s ILE 107 Ca 0.02 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3cn0 s ILE 107 Cb -0.14 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3cn0 s ILE 107 CO -0.02 -0.07 -0.08 0.00 -1.23 0.00 0.00 174.94 173.55 3cn0 s ALA 108 N 1.65 2.94 -0.02 9.38 0.00 -0.42 -0.98 121.76 134.30 3cn0 s ALA 108 Ca 0.05 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3cn0 s ALA 108 Cb -0.18 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3cn0 s ALA 108 CO 0.08 0.53 -0.09 0.00 0.00 0.00 0.00 175.76 176.28 3cn0 s ALA 109 N -0.67 0.86 -0.22 0.00 0.00 -0.13 -1.36 121.76 120.24 3cn0 s ALA 109 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3cn0 s ALA 109 Cb -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3cn0 s ALA 109 CO 0.02 0.15 -0.11 -1.17 0.00 0.00 0.00 175.76 174.65 3cn0 s LEU 110 N 0.15 2.82 -0.13 0.00 2.96 0.01 -0.97 118.68 123.53 3cn0 s LEU 110 Ca -0.02 -0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 3cn0 s LEU 110 Cb -0.08 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3cn0 s LEU 110 CO 0.00 -0.07 0.02 -0.76 -1.32 0.00 0.00 176.35 174.22 3cn0 s LEU 111 N 1.32 3.62 0.21 -0.68 1.43 0.26 -1.65 118.68 123.20 3cn0 s LEU 111 Ca 0.02 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3cn0 s LEU 111 Cb -0.15 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3cn0 s LEU 111 CO -0.07 0.28 -0.03 -0.44 0.23 0.00 0.00 176.35 176.32 3cn0 s SER 112 N -0.28 1.85 0.29 2.29 0.01 -0.09 -0.90 113.70 116.87 3cn0 s SER 112 Ca 0.07 -1.17 0.01 0.00 1.31 0.00 0.00 55.95 56.16 3cn0 s SER 112 Cb -0.12 -0.00 0.53 0.00 0.21 0.00 0.00 66.02 66.64 3cn0 s SER 112 CO 0.02 -0.46 1.86 -0.65 0.41 0.00 0.00 173.24 174.42 3cn0 h PRO 113 N 2.53 1.00 -0.19 12.44 0.11 -1.99 -3.01 132.00 142.89 3cn0 h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3cn0 h PRO 113 Cb 1.22 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3cn0 h PRO 113 CO 0.64 0.66 0.00 0.66 -0.21 0.00 0.00 178.00 179.75 3cn0 n TYR 114 N -4.56 0.41 -3.63 0.65 4.02 -1.26 -0.84 117.16 111.95 3cn0 n TYR 114 Ca 0.17 -0.68 -0.13 0.00 -0.01 0.00 0.00 57.90 57.25 3cn0 n TYR 114 Cb 0.29 -0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 3cn0 n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3cn0 s SER 115 N -1.54 -0.32 0.02 7.72 1.04 -1.14 -4.98 113.70 114.50 3cn0 s SER 115 Ca 0.24 -0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 3cn0 s SER 115 Cb 0.18 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3cn0 s SER 115 CO 0.08 -0.71 0.31 -0.72 0.98 0.00 0.00 173.24 173.18 3cn0 s TYR 116 N -2.69 -0.14 0.06 5.02 -0.85 -1.26 -0.92 117.35 116.57 3cn0 s TYR 116 Ca -0.04 0.09 0.09 0.00 -0.52 0.00 0.00 57.07 56.70 3cn0 s TYR 116 Cb -0.00 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.40 3cn0 s TYR 116 CO -0.04 -0.46 -0.25 -1.12 -1.52 0.00 0.00 175.55 172.16 3cn0 s SER 117 N -1.76 2.99 0.02 -0.18 0.01 -0.66 -4.98 113.70 109.13 3cn0 s SER 117 Ca -0.08 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.57 3cn0 s SER 117 Cb -0.03 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 3cn0 s SER 117 CO -0.00 0.21 -0.02 0.28 0.41 0.00 0.00 173.24 174.11 3cn0 s THR 118 N -0.87 0.11 0.05 1.44 -1.32 -1.26 -0.81 115.64 112.99 3cn0 s THR 118 Ca 0.11 -0.67 -0.03 0.00 -1.21 0.00 0.00 61.69 59.89 3cn0 s THR 118 Cb -0.10 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.65 3cn0 s THR 118 CO 0.03 -0.35 0.02 0.28 -2.21 0.00 0.00 174.62 172.38 3cn0 s THR 119 N -1.05 0.19 -0.09 5.08 -1.32 -0.47 -5.01 115.64 112.97 3cn0 s THR 119 Ca -0.11 -1.56 0.02 0.00 -1.21 0.00 0.00 61.69 58.83 3cn0 s THR 119 Cb -0.07 -1.32 -0.02 0.00 -1.51 0.00 0.00 72.50 69.58 3cn0 s THR 119 CO -0.01 -0.86 -0.16 0.00 -2.21 0.00 0.00 174.62 171.37 3cn0 s ALA 120 N -3.56 2.51 -0.25 11.08 0.00 -1.26 -1.31 121.76 128.97 3cn0 s ALA 120 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3cn0 s ALA 120 Cb 0.05 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.21 3cn0 s ALA 120 CO -0.09 0.38 -0.10 0.08 0.00 0.00 0.00 175.76 176.03 3cn0 s VAL 121 N -0.07 2.42 -0.25 0.00 1.01 -0.20 -4.98 120.40 118.33 3cn0 s VAL 121 Ca -0.03 -1.35 -0.00 0.00 0.00 0.00 0.00 61.98 60.59 3cn0 s VAL 121 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3cn0 s VAL 121 CO 0.04 0.10 -0.08 -0.69 0.00 0.00 0.00 175.10 174.47 3cn0 s VAL 122 N 1.20 2.66 0.24 2.92 1.01 -1.26 -0.75 120.40 126.42 3cn0 s VAL 122 Ca -0.04 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3cn0 s VAL 122 Cb -0.18 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3cn0 s VAL 122 CO -0.06 0.18 0.06 0.42 0.00 0.00 0.00 175.10 175.70 3cn0 s THR 123 N 1.28 0.67 0.00 3.92 -4.23 -0.52 -4.80 115.64 111.97 3cn0 s THR 123 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3cn0 s THR 123 Cb -0.17 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3cn0 s THR 123 CO -0.05 -0.16 0.43 0.59 -0.54 0.00 0.00 174.62 174.88