#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imt s LEU 12 N 0.00 0.24 0.02 1.53 2.96 -1.26 -0.49 118.68 121.68 3imt s LEU 12 Ca 0.00 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 3imt s LEU 12 Cb 0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 3imt s LEU 12 CO 0.00 -0.25 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.28 3imt s MET 13 N 2.13 1.26 -0.07 1.98 -2.45 0.03 -4.36 119.30 117.82 3imt s MET 13 Ca 0.05 -0.76 0.04 0.00 -1.25 0.00 0.00 55.69 53.77 3imt s MET 13 Cb -0.13 -1.29 -0.00 0.00 1.25 0.00 0.00 34.83 34.67 3imt s MET 13 CO -0.04 0.34 -0.21 0.08 1.05 0.00 0.00 175.02 176.24 3imt s VAL 14 N -0.66 1.75 -0.07 10.11 1.01 -1.02 -0.80 120.40 130.74 3imt s VAL 14 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3imt s VAL 14 Cb -0.08 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.80 3imt s VAL 14 CO 0.01 0.49 -0.13 -0.75 0.00 0.00 0.00 175.10 174.72 3imt s LYS 15 N 0.22 1.74 -0.06 2.72 2.20 -0.07 -0.31 119.74 126.16 3imt s LYS 15 Ca -0.11 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 3imt s LYS 15 Cb -0.15 -1.43 0.01 0.00 -1.51 0.00 0.00 37.83 34.74 3imt s LYS 15 CO 0.05 0.04 -0.16 0.08 -0.36 0.00 0.00 175.35 175.00 3imt s VAL 16 N 0.64 1.37 0.15 4.02 1.01 0.18 -0.81 120.40 126.95 3imt s VAL 16 Ca -0.15 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.28 3imt s VAL 16 Cb -0.16 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3imt s VAL 16 CO 0.04 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 174.60 3imt s LEU 17 N 0.41 2.41 -0.26 3.92 1.43 -0.02 -1.14 118.68 125.44 3imt s LEU 17 Ca -0.12 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 3imt s LEU 17 Cb -0.15 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.27 3imt s LEU 17 CO 0.04 -0.02 -0.04 -0.62 0.23 0.00 0.00 176.35 175.94 3imt s ASP 18 N -2.52 4.48 0.16 2.29 -1.08 0.15 -0.61 116.67 119.55 3imt s ASP 18 Ca 0.14 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.53 3imt s ASP 18 Cb -0.06 -1.69 0.91 0.00 -1.46 0.00 0.00 42.92 40.61 3imt s ASP 18 CO 0.06 -0.15 1.81 0.00 0.52 0.00 0.00 175.17 177.41 3imt n ALA 19 N 4.69 2.27 -0.03 3.66 0.00 -0.09 -1.44 120.51 129.56 3imt n ALA 19 Ca -0.16 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 3imt n ALA 19 Cb 0.47 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3imt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3imt h VAL 20 N 0.00 1.08 0.00 0.00 2.07 -1.95 -3.39 116.25 114.06 3imt h VAL 20 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3imt h VAL 20 Cb 0.67 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3imt h VAL 20 CO 0.00 0.59 -1.01 0.54 0.02 0.00 0.00 177.57 177.71 3imt n ARG 21 N -4.14 0.35 -2.81 1.57 1.74 -1.25 -5.00 116.66 107.12 3imt n ARG 21 Ca -0.25 0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.74 3imt n ARG 21 Cb 0.79 -1.64 0.05 0.00 -1.02 0.00 0.00 32.46 30.64 3imt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3imt n GLY 22 N 1.33 -0.23 3.42 -0.13 0.00 -0.52 -5.03 105.19 104.03 3imt n GLY 22 Ca 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3imt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imt s SER 23 N -3.62 -0.10 0.70 1.61 1.04 -1.02 -5.01 113.70 107.30 3imt s SER 23 Ca 0.12 -0.66 -0.16 0.00 0.48 0.00 0.00 55.95 55.73 3imt s SER 23 Cb -0.02 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3imt s SER 23 CO 0.48 -0.96 1.25 -2.84 0.98 0.00 0.00 173.24 172.15 3imt s PRO 24 N -3.91 2.24 -0.48 4.02 0.02 -1.26 -0.67 135.00 134.95 3imt s PRO 24 Ca 0.12 1.90 -0.19 0.00 0.02 0.00 0.00 61.00 62.86 3imt s PRO 24 Cb 0.01 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.75 3imt s PRO 24 CO -0.02 -1.79 0.58 0.00 -0.33 0.00 0.00 177.00 175.44 3imt s ALA 25 N -1.74 3.40 -0.09 -1.55 0.00 -0.29 -4.57 121.76 116.93 3imt s ALA 25 Ca 0.78 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3imt s ALA 25 Cb -0.33 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3imt s ALA 25 CO 0.43 -1.90 0.22 0.42 0.00 0.00 0.00 175.76 174.94 3imt s ILE 26 N 2.52 5.36 -1.24 0.00 1.01 -1.26 -4.33 121.20 123.26 3imt s ILE 26 Ca 0.15 0.41 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 3imt s ILE 26 Cb -0.18 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3imt s ILE 26 CO 0.13 0.60 0.50 0.59 0.00 0.00 0.00 174.94 176.76 3imt n ASN 27 N 1.98 -5.23 -4.70 3.58 3.02 -0.34 -4.96 115.26 108.62 3imt n ASN 27 Ca -0.18 -0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 3imt n ASN 27 Cb 0.54 -4.06 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 3imt n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3imt s VAL 28 N -3.06 5.01 0.13 2.41 1.01 -1.26 -4.76 120.40 119.89 3imt s VAL 28 Ca 0.25 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 3imt s VAL 28 Cb -0.11 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3imt s VAL 28 CO 0.31 0.18 1.17 0.00 0.00 0.00 0.00 175.10 176.76 3imt s ALA 29 N 1.28 3.40 -0.07 5.51 0.00 -1.26 -1.21 121.76 129.40 3imt s ALA 29 Ca 0.35 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3imt s ALA 29 Cb -0.17 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3imt s ALA 29 CO 0.15 -0.35 -0.08 0.08 0.00 0.00 0.00 175.76 175.56 3imt s VAL 30 N 0.34 0.88 -0.08 0.00 1.01 -0.03 -1.01 120.40 121.51 3imt s VAL 30 Ca 0.54 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3imt s VAL 30 Cb -0.30 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3imt s VAL 30 CO 0.33 0.32 -0.16 -1.00 0.00 0.00 0.00 175.10 174.58 3imt s HIS 31 N 1.15 2.68 -0.11 5.22 3.76 0.11 -1.38 115.29 126.72 3imt s HIS 31 Ca -0.06 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 3imt s HIS 31 Cb -0.14 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 3imt s HIS 31 CO -0.02 -0.05 -0.13 0.08 -0.85 0.00 0.00 174.74 173.78 3imt s VAL 32 N -0.22 3.08 0.13 -0.90 1.01 0.13 -0.01 120.40 123.62 3imt s VAL 32 Ca 0.00 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3imt s VAL 32 Cb -0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3imt s VAL 32 CO 0.03 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 175.07 3imt s PHE 33 N 0.03 2.15 -0.03 5.22 0.40 0.70 -0.85 117.98 125.59 3imt s PHE 33 Ca -0.04 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 3imt s PHE 33 Cb -0.14 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 3imt s PHE 33 CO 0.04 0.32 -0.19 0.50 0.70 0.00 0.00 175.22 176.59 3imt s ARG 34 N -2.13 2.30 -0.06 0.44 3.52 -0.07 -0.88 118.95 122.07 3imt s ARG 34 Ca 0.13 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.62 3imt s ARG 34 Cb -0.10 -2.22 -0.03 0.00 -1.56 0.00 0.00 34.95 31.04 3imt s ARG 34 CO 0.06 0.59 1.19 0.21 -0.81 0.00 0.00 175.30 176.54 3imt s LYS 35 N -0.74 4.36 0.65 5.12 2.20 -0.08 -0.97 119.74 130.27 3imt s LYS 35 Ca 0.11 1.65 -0.04 0.00 -0.36 0.00 0.00 55.97 57.34 3imt s LYS 35 Cb -0.10 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.72 3imt s LYS 35 CO 0.00 -0.44 0.93 0.00 -0.36 0.00 0.00 175.35 175.49 3imt s ALA 36 N 2.20 3.44 0.38 3.13 0.00 0.38 -4.78 121.76 126.51 3imt s ALA 36 Ca 0.55 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.47 3imt s ALA 36 Cb -0.24 -2.38 0.81 0.00 0.00 0.00 0.00 23.12 21.31 3imt s ALA 36 CO 0.22 -1.13 1.98 0.00 0.00 0.00 0.00 175.76 176.83 3imt h ALA 37 N -0.37 1.76 -0.23 0.00 0.00 -1.95 0.11 119.26 118.57 3imt h ALA 37 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3imt h ALA 37 Cb 1.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3imt h ALA 37 CO 0.56 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 3imt n ASP 38 N -4.48 1.37 0.00 0.00 5.68 -1.26 -4.86 116.55 113.01 3imt n ASP 38 Ca 0.09 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3imt n ASP 38 Cb 0.22 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3imt n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3imt n ASP 39 N 0.19 -2.51 -4.89 -1.12 8.00 0.37 -5.01 116.55 111.58 3imt n ASP 39 Ca 0.08 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.29 3imt n ASP 39 Cb 0.23 -1.04 0.01 0.00 -0.02 0.00 0.00 41.12 40.30 3imt n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3imt s THR 40 N -2.25 4.66 -0.41 -3.53 -4.23 -1.26 -4.78 115.64 103.84 3imt s THR 40 Ca 0.00 0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 3imt s THR 40 Cb 0.00 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 70.04 3imt s THR 40 CO 0.00 -0.96 0.30 0.26 -0.54 0.00 0.00 174.62 173.68 3imt s TRP 41 N -3.01 3.24 -0.11 3.99 0.52 -1.26 -0.47 118.94 121.84 3imt s TRP 41 Ca 0.52 -0.66 -0.12 0.00 0.02 0.00 0.00 56.10 55.85 3imt s TRP 41 Cb -0.11 -2.65 -0.05 0.00 -1.15 0.00 0.00 33.47 29.52 3imt s TRP 41 CO 0.50 -0.62 0.28 -1.83 0.02 0.00 0.00 176.95 175.30 3imt s GLU 42 N 1.66 3.99 0.23 4.98 -1.05 -0.15 -4.89 118.70 123.48 3imt s GLU 42 Ca 0.05 0.11 -0.31 0.00 -0.15 0.00 0.00 54.97 54.66 3imt s GLU 42 Cb -0.20 -3.32 -0.13 0.00 -0.44 0.00 0.00 34.13 30.04 3imt s GLU 42 CO 0.09 0.47 1.42 -2.30 0.95 0.00 0.00 175.26 175.90 3imt n PRO 43 N 2.79 2.04 -0.01 -4.83 -0.02 -1.26 -0.89 135.00 132.82 3imt n PRO 43 Ca -0.14 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 3imt n PRO 43 Cb 0.53 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3imt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3imt n PHE 44 N 2.03 0.00 -3.50 6.00 7.35 -0.03 -4.76 117.46 124.55 3imt n PHE 44 Ca 0.12 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.70 3imt n PHE 44 Cb 0.31 -0.05 -0.03 0.00 0.35 0.00 0.00 39.48 40.06 3imt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3imt s ALA 45 N -2.03 -1.78 0.17 3.13 0.00 -0.97 -5.01 121.76 115.27 3imt s ALA 45 Ca -0.02 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 3imt s ALA 45 Cb 0.01 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.49 3imt s ALA 45 CO 0.03 -0.61 0.78 -1.54 0.00 0.00 0.00 175.76 174.42 3imt s SER 46 N -2.19 -0.33 0.00 0.00 1.04 -1.26 0.21 113.70 111.17 3imt s SER 46 Ca 0.01 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3imt s SER 46 Cb -0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3imt s SER 46 CO -0.06 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3imt n GLY 47 N -0.41 0.45 3.20 7.32 0.00 -0.48 -4.96 105.19 110.31 3imt n GLY 47 Ca -0.08 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 3imt n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imt s LYS 48 N -1.79 1.68 0.53 1.61 -0.14 -1.26 -0.85 119.74 119.52 3imt s LYS 48 Ca 0.00 -0.70 -0.22 0.00 -1.36 0.00 0.00 55.97 53.69 3imt s LYS 48 Cb 0.00 -1.58 -0.05 0.00 -1.68 0.00 0.00 37.83 34.52 3imt s LYS 48 CO 0.00 0.39 1.32 0.95 -0.76 0.00 0.00 175.35 177.26 3imt s THR 49 N -0.37 2.25 0.79 2.17 -4.23 -0.35 -4.77 115.64 111.13 3imt s THR 49 Ca 0.05 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 3imt s THR 49 Cb -0.09 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.84 3imt s THR 49 CO -0.00 -0.00 1.07 -1.54 -0.54 0.00 0.00 174.62 173.61 3imt n SER 50 N -0.96 0.12 0.33 3.99 3.41 -0.19 -1.20 113.62 119.13 3imt n SER 50 Ca 0.10 -1.41 0.21 0.00 -0.26 0.00 0.00 58.87 57.51 3imt n SER 50 Cb 0.46 -0.81 1.15 0.00 -0.26 0.00 0.00 64.21 64.74 3imt n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3imt h GLU 51 N 0.00 0.00 -0.06 4.33 4.39 -1.94 -0.62 114.58 120.68 3imt h GLU 51 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3imt h GLU 51 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3imt h GLU 51 CO 0.25 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.97 3imt n SER 52 N -3.15 2.08 0.00 1.42 3.41 -1.26 -4.79 113.62 111.34 3imt n SER 52 Ca -0.03 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 3imt n SER 52 Cb 0.11 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3imt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3imt n GLY 53 N 1.24 0.75 3.76 5.00 0.00 -0.24 -4.78 105.19 110.92 3imt n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3imt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imt s GLU 54 N -0.09 2.86 -0.25 1.61 2.02 -1.26 -0.65 118.70 122.93 3imt s GLU 54 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3imt s GLU 54 Cb 0.00 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.58 3imt s GLU 54 CO 0.00 0.58 -0.02 -1.17 0.02 0.00 0.00 175.26 174.67 3imt s LEU 55 N -2.20 2.58 0.28 1.80 2.96 0.57 -1.02 118.68 123.65 3imt s LEU 55 Ca 0.27 -1.28 0.07 0.00 -0.22 0.00 0.00 54.13 52.97 3imt s LEU 55 Cb -0.12 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3imt s LEU 55 CO 0.19 -0.28 0.23 -1.00 -1.32 0.00 0.00 176.35 174.18 3imt s HIS 56 N 1.43 3.06 -0.22 5.38 3.76 -1.26 -2.44 115.29 125.00 3imt s HIS 56 Ca -0.02 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 3imt s HIS 56 Cb -0.19 -1.53 0.00 0.00 1.11 0.00 0.00 32.58 31.98 3imt s HIS 56 CO -0.09 0.41 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 3imt n GLY 57 N -1.25 0.54 0.29 -2.22 0.00 -1.26 -4.93 105.19 96.36 3imt n GLY 57 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 3imt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3imt h LEU 58 N 0.00 0.85 0.00 0.99 3.38 -1.85 -3.47 115.31 115.21 3imt h LEU 58 Ca -0.04 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 3imt h LEU 58 Cb 0.15 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3imt h LEU 58 CO 0.06 0.64 -0.15 1.07 0.09 0.00 0.00 178.44 180.15 3imt n THR 59 N -4.55 0.00 -4.41 0.22 5.66 -1.26 -4.76 114.28 105.18 3imt n THR 59 Ca 0.07 -1.48 -0.20 0.00 -3.05 0.00 0.00 64.05 59.38 3imt n THR 59 Cb 0.03 0.88 -0.10 0.00 -1.55 0.00 0.00 70.33 69.59 3imt n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3imt s THR 60 N -2.78 1.54 0.27 1.09 -4.23 -1.26 -4.58 115.64 105.68 3imt s THR 60 Ca 0.24 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 3imt s THR 60 Cb -0.00 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.68 3imt s THR 60 CO 0.17 -0.32 1.83 -0.33 -0.54 0.00 0.00 174.62 175.43 3imt h GLU 61 N 2.32 0.89 -0.54 3.99 5.08 -2.00 -2.02 114.58 122.30 3imt h GLU 61 Ca -0.40 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 3imt h GLU 61 Cb 1.23 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3imt h GLU 61 CO 0.67 0.59 0.34 1.49 -1.00 0.00 0.00 179.01 181.09 3imt h GLU 62 N 0.92 0.66 0.00 2.33 4.57 -2.05 -3.10 114.58 117.90 3imt h GLU 62 Ca 0.45 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.49 3imt h GLU 62 Cb 0.43 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3imt h GLU 62 CO -0.26 0.43 -0.55 0.93 -1.18 0.00 0.00 179.01 178.39 3imt h GLU 63 N 0.68 0.00 -4.54 1.92 5.08 -1.84 -3.42 114.58 112.45 3imt h GLU 63 Ca 0.21 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.84 3imt h GLU 63 Cb -0.01 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.03 3imt h GLU 63 CO -0.08 0.50 0.68 0.12 -1.00 0.00 0.00 179.01 179.23 3imt s PHE 64 N -2.95 3.45 0.39 4.33 5.36 -0.81 -4.96 117.98 122.78 3imt s PHE 64 Ca 0.04 -1.77 0.03 0.00 -0.96 0.00 0.00 56.93 54.27 3imt s PHE 64 Cb 0.08 -4.12 -0.01 0.00 -0.34 0.00 0.00 43.02 38.62 3imt s PHE 64 CO 0.75 -1.29 0.57 0.14 -1.46 0.00 0.00 175.22 173.92 3imt s VAL 65 N 1.51 4.13 0.51 3.12 -7.23 -1.26 -4.96 120.40 116.22 3imt s VAL 65 Ca 0.30 -0.73 -0.21 0.00 -1.81 0.00 0.00 61.98 59.53 3imt s VAL 65 Cb -0.06 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.31 3imt s VAL 65 CO -0.08 -0.26 0.84 -0.62 -0.31 0.00 0.00 175.10 174.67 3imt n GLU 66 N -1.85 0.95 -2.80 4.82 1.02 -1.26 -4.87 120.64 116.64 3imt n GLU 66 Ca -0.00 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3imt n GLU 66 Cb 0.58 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3imt n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3imt n GLY 67 N 1.41 -0.96 3.66 0.62 0.00 -1.15 -4.96 105.19 103.80 3imt n GLY 67 Ca 0.11 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 3imt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imt s ILE 68 N -2.44 5.07 0.10 -0.61 1.01 -1.26 -0.65 121.20 122.42 3imt s ILE 68 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.82 3imt s ILE 68 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3imt s ILE 68 CO 0.00 0.42 -0.24 -0.31 0.00 0.00 0.00 174.94 174.81 3imt s TYR 69 N 0.60 2.09 -0.12 3.97 1.51 -0.04 -0.91 117.35 124.46 3imt s TYR 69 Ca 0.06 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 3imt s TYR 69 Cb -0.12 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 3imt s TYR 69 CO 0.01 0.25 -0.18 0.21 -1.11 0.00 0.00 175.55 174.73 3imt s LYS 70 N -1.84 2.47 -0.31 -0.62 2.20 -0.06 -1.10 119.74 120.47 3imt s LYS 70 Ca 0.11 -0.66 -0.08 0.00 -0.36 0.00 0.00 55.97 54.98 3imt s LYS 70 Cb -0.10 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.18 3imt s LYS 70 CO 0.05 -0.03 0.12 0.08 -0.36 0.00 0.00 175.35 175.20 3imt s VAL 71 N 0.89 4.24 -0.21 4.02 1.01 0.53 -0.22 120.40 130.67 3imt s VAL 71 Ca -0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3imt s VAL 71 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3imt s VAL 71 CO -0.01 0.03 -0.01 -0.70 0.00 0.00 0.00 175.10 174.42 3imt s GLU 72 N 1.54 3.57 -0.19 2.72 2.12 0.99 -0.30 118.70 129.15 3imt s GLU 72 Ca 0.03 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 3imt s GLU 72 Cb -0.17 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 3imt s GLU 72 CO 0.04 -0.03 -0.06 0.42 -0.54 0.00 0.00 175.26 175.09 3imt s ILE 73 N 1.11 3.39 -1.30 -3.70 1.01 0.63 -0.72 121.20 121.61 3imt s ILE 73 Ca 0.02 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 3imt s ILE 73 Cb -0.14 -2.51 0.11 0.00 0.01 0.00 0.00 42.46 39.93 3imt s ILE 73 CO 0.01 0.45 1.78 0.47 0.00 0.00 0.00 174.94 177.65 3imt n ASP 74 N 4.37 4.84 0.15 3.58 10.43 -0.18 -1.17 116.55 138.57 3imt n ASP 74 Ca -0.18 -2.96 0.00 0.00 2.57 0.00 0.00 54.79 54.22 3imt n ASP 74 Cb 0.51 -1.63 0.24 0.00 1.84 0.00 0.00 41.12 42.08 3imt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3imt h THR 75 N 4.63 1.38 -0.30 -3.53 1.35 -1.87 -3.03 112.91 111.54 3imt h THR 75 Ca 0.43 -1.81 -0.05 0.00 -0.55 0.00 0.00 66.41 64.43 3imt h THR 75 Cb 0.78 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 3imt h THR 75 CO 1.52 0.52 0.01 0.50 -0.25 0.00 0.00 175.52 177.81 3imt h LYS 76 N 0.00 0.52 -0.45 4.72 3.64 -1.74 -1.50 116.57 121.76 3imt h LYS 76 Ca -0.01 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3imt h LYS 76 Cb 0.93 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3imt h LYS 76 CO 0.07 0.66 0.10 0.77 -2.27 0.00 0.00 179.45 178.78 3imt h SER 77 N 0.32 0.64 0.37 4.20 0.02 -1.85 -1.43 113.55 115.81 3imt h SER 77 Ca 0.09 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3imt h SER 77 Cb 0.42 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3imt h SER 77 CO 0.01 0.64 -0.18 0.22 -1.14 0.00 0.00 176.83 176.39 3imt h TYR 78 N 0.67 -0.46 -0.66 3.45 3.20 -1.33 -1.46 116.97 120.38 3imt h TYR 78 Ca 0.15 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3imt h TYR 78 Cb 0.27 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3imt h TYR 78 CO 0.01 -0.28 0.11 -1.49 -1.64 0.00 0.00 178.16 174.88 3imt h TRP 79 N -0.52 1.13 -0.03 -3.82 4.06 -1.15 -2.64 115.95 112.99 3imt h TRP 79 Ca -0.05 -0.15 -0.09 0.00 2.06 0.00 0.00 58.89 60.66 3imt h TRP 79 Cb 0.39 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3imt h TRP 79 CO -0.05 0.95 -0.41 0.87 -3.56 0.00 0.00 178.44 176.24 3imt h LYS 80 N 1.01 0.06 0.00 0.49 1.57 -1.19 -1.03 116.57 117.47 3imt h LYS 80 Ca 0.20 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3imt h LYS 80 Cb 0.42 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3imt h LYS 80 CO 0.01 0.46 -0.08 0.00 -0.57 0.00 0.00 179.45 179.27 3imt h ALA 81 N 1.54 1.04 -0.13 3.86 0.00 -0.90 -2.00 119.26 122.68 3imt h ALA 81 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3imt h ALA 81 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3imt h ALA 81 CO 0.06 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3imt n LEU 82 N -3.25 2.66 -0.64 0.00 4.77 -0.57 -4.96 117.00 115.00 3imt n LEU 82 Ca -0.00 -0.98 -0.07 0.00 -0.03 0.00 0.00 56.01 54.93 3imt n LEU 82 Cb 0.31 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3imt n LEU 82 CO 0.29 0.49 -0.08 0.61 -1.33 0.00 0.00 177.39 177.37 3imt n GLY 83 N 1.33 0.51 3.42 -0.72 0.00 -0.75 -5.03 105.19 103.94 3imt n GLY 83 Ca 0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3imt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imt s ILE 84 N -2.29 3.07 -0.15 -0.61 1.01 -0.50 -5.01 121.20 116.72 3imt s ILE 84 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 3imt s ILE 84 Cb 0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 3imt s ILE 84 CO 0.00 0.55 1.28 -0.55 0.00 0.00 0.00 174.94 176.22 3imt s SER 85 N -0.11 6.94 0.21 3.58 0.15 -1.26 -3.72 113.70 119.48 3imt s SER 85 Ca -0.01 1.73 0.06 0.00 0.70 0.00 0.00 55.95 58.43 3imt s SER 85 Cb -0.14 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 3imt s SER 85 CO 0.04 -0.75 0.15 -2.16 1.20 0.00 0.00 173.24 171.71 3imt s PRO 86 N 3.41 2.86 -0.19 5.44 0.04 -1.26 -4.84 135.00 140.45 3imt s PRO 86 Ca 0.56 -0.99 -0.22 0.00 0.04 0.00 0.00 61.00 60.39 3imt s PRO 86 Cb -0.22 -2.57 -0.21 0.00 0.04 0.00 0.00 34.50 31.54 3imt s PRO 86 CO 0.16 0.44 0.30 0.35 0.04 0.00 0.00 177.00 178.29 3imt h PHE 87 N 2.00 0.03 -3.75 0.56 3.57 -1.44 -3.49 116.94 114.43 3imt h PHE 87 Ca -0.48 -0.02 -0.49 0.00 3.53 0.00 0.00 57.97 60.51 3imt h PHE 87 Cb 1.22 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3imt h PHE 87 CO 0.58 1.44 0.12 -1.01 -2.23 0.00 0.00 178.31 177.21 3imt s HIS 88 N -2.35 3.40 0.12 0.41 3.76 -1.26 -4.97 115.29 114.40 3imt s HIS 88 Ca -0.27 1.18 -0.12 0.00 -0.15 0.00 0.00 55.06 55.70 3imt s HIS 88 Cb 0.05 -2.53 -0.08 0.00 1.11 0.00 0.00 32.58 31.13 3imt s HIS 88 CO 0.62 0.00 1.42 0.93 -0.85 0.00 0.00 174.74 176.86 3imt h GLU 89 N 1.86 0.85 -2.38 1.40 4.39 -1.98 -3.38 114.58 115.35 3imt h GLU 89 Ca -0.48 -0.51 0.17 0.00 0.34 0.00 0.00 59.36 58.89 3imt h GLU 89 Cb 1.18 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3imt h GLU 89 CO 0.65 1.14 0.48 -3.38 -1.16 0.00 0.00 179.01 176.74 3imt s HIS 90 N -4.22 -0.11 -0.07 4.33 -3.43 -1.26 -3.74 115.29 106.78 3imt s HIS 90 Ca -0.11 -0.21 0.01 0.00 -0.80 0.00 0.00 55.06 53.94 3imt s HIS 90 Cb 0.10 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.87 3imt s HIS 90 CO 0.88 -0.86 -0.07 0.00 -2.00 0.00 0.00 174.74 172.69 3imt s ALA 91 N -3.22 2.98 -0.02 -1.38 0.00 -0.32 -4.90 121.76 114.90 3imt s ALA 91 Ca 0.13 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 3imt s ALA 91 Cb -0.02 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3imt s ALA 91 CO 0.03 0.55 0.06 -1.83 0.00 0.00 0.00 175.76 174.57 3imt s GLU 92 N -0.73 0.06 -0.22 0.00 1.03 -1.26 -0.27 118.70 117.31 3imt s GLU 92 Ca 0.11 0.12 0.01 0.00 0.03 0.00 0.00 54.97 55.24 3imt s GLU 92 Cb -0.11 -0.02 0.04 0.00 -0.80 0.00 0.00 34.13 33.23 3imt s GLU 92 CO 0.02 -0.04 -0.14 0.08 -1.33 0.00 0.00 175.26 173.84 3imt s VAL 93 N 0.26 2.23 -0.16 1.83 1.01 0.59 -4.95 120.40 121.20 3imt s VAL 93 Ca -0.02 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.73 3imt s VAL 93 Cb -0.03 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3imt s VAL 93 CO -0.01 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.49 3imt s VAL 94 N 1.22 2.40 0.13 2.92 1.01 -1.26 -0.35 120.40 126.48 3imt s VAL 94 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 3imt s VAL 94 Cb -0.16 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3imt s VAL 94 CO -0.08 0.52 0.29 0.72 0.00 0.00 0.00 175.10 176.55 3imt s PHE 95 N 1.02 0.15 -0.17 5.22 -0.71 -0.26 -4.99 117.98 118.24 3imt s PHE 95 Ca -0.02 -0.53 -0.08 0.00 -1.04 0.00 0.00 56.93 55.27 3imt s PHE 95 Cb -0.15 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 3imt s PHE 95 CO -0.05 -0.67 0.08 0.99 -1.34 0.00 0.00 175.22 174.24 3imt s THR 96 N -3.89 5.00 -0.09 -4.49 2.01 -1.26 -0.86 115.64 112.07 3imt s THR 96 Ca 0.09 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.88 3imt s THR 96 Cb 0.03 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 3imt s THR 96 CO -0.07 0.49 0.77 0.00 -0.69 0.00 0.00 174.62 175.12 3imt s ALA 97 N 0.08 3.36 -0.10 7.40 0.00 0.18 -4.97 121.76 127.71 3imt s ALA 97 Ca 0.07 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3imt s ALA 97 Cb -0.12 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.94 3imt s ALA 97 CO 0.00 -0.27 -0.10 -0.80 0.00 0.00 0.00 175.76 174.59 3imt s ASN 98 N 0.93 2.11 0.54 0.00 0.01 -1.26 -2.94 114.94 114.34 3imt s ASN 98 Ca 0.39 -0.32 0.33 0.00 -0.71 0.00 0.00 52.86 52.55 3imt s ASN 98 Cb -0.18 -0.88 1.38 0.00 0.41 0.00 0.00 41.25 41.98 3imt s ASN 98 CO 0.18 -0.06 1.99 0.44 -1.51 0.00 0.00 177.10 178.14 3imt h ASP 99 N 7.76 0.00 1.12 -1.22 3.32 -1.96 -2.86 116.42 122.58 3imt h ASP 99 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3imt h ASP 99 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3imt h ASP 99 CO 0.44 0.04 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 3imt n SER 100 N -3.16 0.63 -2.95 6.45 3.41 -1.26 -4.76 113.62 111.98 3imt n SER 100 Ca 0.00 0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 3imt n SER 100 Cb 0.30 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 63.55 3imt n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3imt n GLY 101 N 0.81 0.82 3.66 5.00 0.00 -1.08 -5.09 105.19 109.31 3imt n GLY 101 Ca 0.04 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 3imt n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3imt s PRO 102 N -3.35 0.01 -0.01 1.61 0.02 -1.26 -4.97 135.00 127.04 3imt s PRO 102 Ca 0.24 0.34 0.19 0.00 0.02 0.00 0.00 61.00 61.79 3imt s PRO 102 Cb -0.01 -1.70 -0.20 0.00 0.02 0.00 0.00 34.50 32.60 3imt s PRO 102 CO 0.16 -2.97 0.57 0.54 -0.33 0.00 0.00 177.00 174.97 3imt n ARG 103 N -4.31 0.65 -4.64 5.54 5.12 -1.00 -4.73 116.66 113.28 3imt n ARG 103 Ca 0.07 0.05 -0.33 0.00 -1.93 0.00 0.00 57.85 55.71 3imt n ARG 103 Cb 0.58 -1.67 -0.15 0.00 -1.16 0.00 0.00 32.46 30.07 3imt n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3imt s ARG 104 N -3.00 3.34 -0.19 5.56 0.52 0.17 -4.78 118.95 120.57 3imt s ARG 104 Ca -0.06 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 3imt s ARG 104 Cb 0.09 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 3imt s ARG 104 CO 0.84 0.13 -0.04 0.71 0.02 0.00 0.00 175.30 176.96 3imt s TYR 105 N 0.56 2.98 -0.19 -0.53 1.51 0.36 -1.08 117.35 120.95 3imt s TYR 105 Ca -0.08 -0.60 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 3imt s TYR 105 Cb -0.16 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3imt s TYR 105 CO 0.03 -0.29 -0.10 0.99 -1.11 0.00 0.00 175.55 175.07 3imt s THR 106 N 0.94 2.97 -0.38 -0.71 2.01 0.01 -0.79 115.64 119.69 3imt s THR 106 Ca -0.00 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 3imt s THR 106 Cb -0.15 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3imt s THR 106 CO 0.01 0.47 0.26 -0.63 -0.69 0.00 0.00 174.62 174.05 3imt s ILE 107 N 1.18 5.16 -0.07 1.82 -1.09 0.02 -0.89 121.20 127.33 3imt s ILE 107 Ca 0.02 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3imt s ILE 107 Cb -0.14 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 3imt s ILE 107 CO -0.04 -0.18 -0.00 0.00 -1.23 0.00 0.00 174.94 173.49 3imt s ALA 108 N 1.68 3.27 -0.01 9.38 0.00 -0.53 -0.90 121.76 134.65 3imt s ALA 108 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3imt s ALA 108 Cb -0.18 -1.44 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 3imt s ALA 108 CO 0.10 0.60 -0.06 0.00 0.00 0.00 0.00 175.76 176.40 3imt s ALA 109 N -0.92 0.51 -0.21 0.00 0.00 0.01 -1.49 121.76 119.66 3imt s ALA 109 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3imt s ALA 109 Cb -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3imt s ALA 109 CO 0.04 0.10 -0.14 -1.17 0.00 0.00 0.00 175.76 174.59 3imt s LEU 110 N 0.01 2.68 -0.13 0.00 2.96 -0.01 -0.84 118.68 123.35 3imt s LEU 110 Ca 0.00 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 3imt s LEU 110 Cb -0.04 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3imt s LEU 110 CO -0.00 -0.06 0.03 -0.76 -1.32 0.00 0.00 176.35 174.23 3imt s LEU 111 N 1.28 3.71 0.28 -0.68 1.43 0.22 -1.50 118.68 123.43 3imt s LEU 111 Ca 0.01 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3imt s LEU 111 Cb -0.15 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 3imt s LEU 111 CO -0.09 0.29 0.03 -0.44 0.23 0.00 0.00 176.35 176.37 3imt s SER 112 N -0.33 2.10 0.32 2.29 0.01 -0.01 -0.92 113.70 117.17 3imt s SER 112 Ca 0.08 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 56.05 3imt s SER 112 Cb -0.12 -0.03 0.54 0.00 0.21 0.00 0.00 66.02 66.62 3imt s SER 112 CO 0.02 -0.56 1.89 -0.65 0.41 0.00 0.00 173.24 174.35 3imt h PRO 113 N 2.28 0.71 -0.17 12.44 0.11 -1.99 -3.07 132.00 142.31 3imt h PRO 113 Ca -0.40 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3imt h PRO 113 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3imt h PRO 113 CO 0.67 0.62 0.00 0.66 -0.21 0.00 0.00 178.00 179.74 3imt n TYR 114 N -4.32 0.35 -3.59 0.65 4.02 -1.26 -1.04 117.16 111.96 3imt n TYR 114 Ca 0.04 -0.66 -0.14 0.00 -0.01 0.00 0.00 57.90 57.12 3imt n TYR 114 Cb 0.18 -0.11 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 3imt n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3imt s SER 115 N -1.49 -0.44 0.09 7.72 1.04 -1.16 -5.00 113.70 114.46 3imt s SER 115 Ca 0.22 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.78 3imt s SER 115 Cb 0.16 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.76 3imt s SER 115 CO 0.08 -0.66 0.28 -0.72 0.98 0.00 0.00 173.24 173.19 3imt s TYR 116 N -2.09 -0.02 0.08 5.02 -0.85 -1.26 -0.83 117.35 117.40 3imt s TYR 116 Ca -0.07 -0.30 0.06 0.00 -0.52 0.00 0.00 57.07 56.23 3imt s TYR 116 Cb -0.01 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 3imt s TYR 116 CO 0.01 -0.57 -0.16 -1.12 -1.52 0.00 0.00 175.55 172.19 3imt s SER 117 N -2.62 1.87 -0.00 -0.18 0.01 -0.56 -4.99 113.70 107.23 3imt s SER 117 Ca 0.02 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 3imt s SER 117 Cb 0.02 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 3imt s SER 117 CO -0.09 -0.04 0.08 0.28 0.41 0.00 0.00 173.24 173.88 3imt s THR 118 N -1.22 0.07 0.11 1.44 -1.32 -1.26 -0.83 115.64 112.63 3imt s THR 118 Ca 0.00 -0.57 -0.00 0.00 -1.21 0.00 0.00 61.69 59.91 3imt s THR 118 Cb -0.10 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 3imt s THR 118 CO 0.03 -0.31 0.02 0.28 -2.21 0.00 0.00 174.62 172.42 3imt s THR 119 N -1.03 0.25 -0.09 5.08 -1.32 -0.55 -5.01 115.64 112.97 3imt s THR 119 Ca -0.11 -1.89 0.02 0.00 -1.21 0.00 0.00 61.69 58.50 3imt s THR 119 Cb -0.06 -1.88 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 3imt s THR 119 CO 0.01 -0.65 -0.14 0.00 -2.21 0.00 0.00 174.62 171.62 3imt s ALA 120 N -3.93 2.63 -0.31 11.08 0.00 -1.26 -1.46 121.76 128.50 3imt s ALA 120 Ca 0.18 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3imt s ALA 120 Cb 0.07 -1.07 0.07 0.00 0.00 0.00 0.00 23.12 22.20 3imt s ALA 120 CO -0.02 0.41 -0.00 0.08 0.00 0.00 0.00 175.76 176.23 3imt s VAL 121 N -0.22 2.52 -0.24 0.00 1.01 -0.07 -4.99 120.40 118.41 3imt s VAL 121 Ca 0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 61.98 60.15 3imt s VAL 121 Cb -0.13 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3imt s VAL 121 CO 0.03 -0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.06 3imt s VAL 122 N 1.08 2.62 0.12 2.92 1.01 -1.26 -0.81 120.40 126.09 3imt s VAL 122 Ca -0.00 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3imt s VAL 122 Cb -0.20 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3imt s VAL 122 CO -0.05 0.21 -0.01 0.42 0.00 0.00 0.00 175.10 175.67 3imt s THR 123 N 1.28 0.50 -2.21 3.92 -4.23 -0.24 -4.78 115.64 109.87 3imt s THR 123 Ca -0.01 -1.93 0.18 0.00 -1.18 0.00 0.00 61.69 58.75 3imt s THR 123 Cb -0.17 -1.87 0.14 0.00 1.34 0.00 0.00 72.50 71.94 3imt s THR 123 CO -0.06 -0.68 1.06 0.59 -0.54 0.00 0.00 174.62 174.99