#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfm h PRO 11 N 0.00 0.00 -3.41 0.00 0.13 -1.86 -3.44 132.00 123.42 3cfm h PRO 11 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 3cfm h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 3cfm h PRO 11 CO 0.00 0.00 -0.75 -1.17 -0.23 0.00 0.00 178.00 175.85 3cfm s LEU 12 N -5.39 0.52 0.06 1.56 2.96 -1.26 -0.27 118.68 116.87 3cfm s LEU 12 Ca 0.08 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3cfm s LEU 12 Cb 0.09 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 3cfm s LEU 12 CO 0.65 -0.27 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.88 3cfm s MET 13 N 2.04 1.28 -0.05 1.98 -2.45 0.12 -4.36 119.30 117.87 3cfm s MET 13 Ca 0.03 -1.01 0.05 0.00 -1.25 0.00 0.00 55.69 53.52 3cfm s MET 13 Cb -0.14 -1.45 -0.01 0.00 1.25 0.00 0.00 34.83 34.48 3cfm s MET 13 CO -0.06 0.36 -0.22 0.08 1.05 0.00 0.00 175.02 176.23 3cfm s VAL 14 N -0.92 1.79 -0.07 10.11 1.01 -0.70 -0.55 120.40 131.07 3cfm s VAL 14 Ca 0.07 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3cfm s VAL 14 Cb -0.09 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3cfm s VAL 14 CO 0.03 0.50 -0.06 -0.75 0.00 0.00 0.00 175.10 174.82 3cfm s LYS 15 N -0.12 1.14 -0.10 2.72 2.20 -0.23 -0.38 119.74 124.98 3cfm s LYS 15 Ca -0.03 -0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 3cfm s LYS 15 Cb -0.12 -1.14 0.01 0.00 -1.51 0.00 0.00 37.83 35.06 3cfm s LYS 15 CO 0.03 -0.13 -0.18 0.08 -0.36 0.00 0.00 175.35 174.79 3cfm s VAL 16 N 1.17 1.67 0.15 4.02 1.01 0.13 -0.71 120.40 127.84 3cfm s VAL 16 Ca -0.06 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3cfm s VAL 16 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3cfm s VAL 16 CO -0.01 0.47 -0.09 -0.76 0.00 0.00 0.00 175.10 174.71 3cfm s LEU 17 N 0.62 3.04 -0.30 3.92 1.43 0.28 -1.13 118.68 126.53 3cfm s LEU 17 Ca -0.14 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3cfm s LEU 17 Cb -0.16 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3cfm s LEU 17 CO 0.04 0.13 0.12 -0.62 0.23 0.00 0.00 176.35 176.25 3cfm s ASP 18 N -2.57 5.34 0.05 2.29 -1.08 0.81 -0.85 116.67 120.66 3cfm s ASP 18 Ca 0.24 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.91 3cfm s ASP 18 Cb -0.10 -1.94 0.88 0.00 -1.46 0.00 0.00 42.92 40.30 3cfm s ASP 18 CO 0.15 -0.20 1.71 0.00 0.52 0.00 0.00 175.17 177.35 3cfm n ALA 19 N 4.92 2.70 -0.05 3.66 0.00 0.07 -0.89 120.51 130.92 3cfm n ALA 19 Ca -0.14 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 3cfm n ALA 19 Cb 0.48 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 3cfm n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cfm h VAL 20 N 0.00 1.33 0.00 0.00 2.07 -1.94 -3.39 116.25 114.32 3cfm h VAL 20 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3cfm h VAL 20 Cb 0.57 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3cfm h VAL 20 CO 0.00 0.56 -0.82 0.03 0.02 0.00 0.00 177.57 177.37 3cfm h ARG 21 N -0.75 0.00 -4.81 1.57 3.08 -1.94 -3.48 114.38 108.05 3cfm h ARG 21 Ca -0.19 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.62 3cfm h ARG 21 Cb 1.35 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.54 3cfm h ARG 21 CO -0.02 0.00 -0.60 0.41 -1.07 0.00 0.00 179.97 178.68 3cfm n GLY 22 N 1.23 -0.26 3.31 0.04 0.00 -0.07 -5.03 105.19 104.40 3cfm n GLY 22 Ca 0.01 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3cfm n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfm s SER 23 N -3.91 -0.01 0.59 1.61 1.04 -1.08 -5.00 113.70 106.95 3cfm s SER 23 Ca 0.06 -0.66 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 3cfm s SER 23 Cb -0.01 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3cfm s SER 23 CO 0.56 -0.85 1.10 -2.65 0.98 0.00 0.00 173.24 172.39 3cfm n PRO 24 N -0.18 1.09 -3.13 4.02 -0.02 -1.26 -0.13 135.00 135.40 3cfm n PRO 24 Ca -0.12 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3cfm n PRO 24 Cb 0.63 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3cfm n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfm s ALA 25 N -1.44 3.36 0.10 3.55 0.00 -0.28 -4.54 121.76 122.50 3cfm s ALA 25 Ca 0.76 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 3cfm s ALA 25 Cb -0.42 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 3cfm s ALA 25 CO 0.46 -1.95 0.48 0.42 0.00 0.00 0.00 175.76 175.17 3cfm s ILE 26 N 2.77 4.97 -1.42 0.00 1.01 -1.26 -4.30 121.20 122.96 3cfm s ILE 26 Ca 0.18 0.69 -0.02 0.00 0.00 0.00 0.00 60.65 61.51 3cfm s ILE 26 Cb -0.17 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3cfm s ILE 26 CO 0.15 0.31 0.26 0.59 0.00 0.00 0.00 174.94 176.25 3cfm n ASN 27 N 0.99 -5.31 -4.67 3.58 3.02 -0.48 -4.94 115.26 107.44 3cfm n ASN 27 Ca -0.07 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.93 3cfm n ASN 27 Cb 0.52 -4.27 -0.04 0.00 -0.61 0.00 0.00 39.78 35.38 3cfm n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cfm s VAL 28 N -2.98 4.91 0.24 2.41 1.01 -1.26 -4.75 120.40 119.98 3cfm s VAL 28 Ca 0.13 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 3cfm s VAL 28 Cb -0.06 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 3cfm s VAL 28 CO 0.16 0.06 1.16 0.00 0.00 0.00 0.00 175.10 176.48 3cfm s ALA 29 N 1.95 3.42 -0.06 5.51 0.00 -1.26 -1.16 121.76 130.16 3cfm s ALA 29 Ca 0.38 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3cfm s ALA 29 Cb -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3cfm s ALA 29 CO 0.13 -0.29 -0.08 0.08 0.00 0.00 0.00 175.76 175.60 3cfm s VAL 30 N -0.68 0.85 -0.12 0.00 1.01 0.13 -0.87 120.40 120.72 3cfm s VAL 30 Ca 0.48 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3cfm s VAL 30 Cb -0.33 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3cfm s VAL 30 CO 0.40 0.30 -0.22 -1.00 0.00 0.00 0.00 175.10 174.58 3cfm s HIS 31 N 0.86 2.52 -0.10 5.22 3.76 -0.20 -1.64 115.29 125.71 3cfm s HIS 31 Ca -0.12 -1.16 -0.02 0.00 -0.15 0.00 0.00 55.06 53.62 3cfm s HIS 31 Cb -0.15 -1.71 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 3cfm s HIS 31 CO 0.01 -0.51 -0.01 0.08 -0.85 0.00 0.00 174.74 173.47 3cfm s VAL 32 N 0.62 4.20 0.10 -0.90 1.01 0.23 0.13 120.40 125.79 3cfm s VAL 32 Ca -0.12 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3cfm s VAL 32 Cb -0.17 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3cfm s VAL 32 CO 0.03 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.19 3cfm s PHE 33 N -0.66 1.47 -0.06 5.22 0.08 0.62 -0.66 117.98 123.99 3cfm s PHE 33 Ca 0.11 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.70 3cfm s PHE 33 Cb -0.12 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 3cfm s PHE 33 CO 0.02 0.14 -0.11 0.50 -0.10 0.00 0.00 175.22 175.67 3cfm s ARG 34 N -2.13 2.67 -0.22 0.44 3.52 0.12 -1.11 118.95 122.25 3cfm s ARG 34 Ca 0.05 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.72 3cfm s ARG 34 Cb -0.08 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 3cfm s ARG 34 CO 0.03 0.61 1.16 0.21 -0.81 0.00 0.00 175.30 176.50 3cfm s LYS 35 N -0.68 4.20 0.77 5.12 2.20 -0.27 -0.80 119.74 130.28 3cfm s LYS 35 Ca 0.10 1.45 -0.10 0.00 -0.36 0.00 0.00 55.97 57.06 3cfm s LYS 35 Cb -0.11 -3.72 0.07 0.00 -1.51 0.00 0.00 37.83 32.56 3cfm s LYS 35 CO 0.01 -0.73 1.12 0.00 -0.36 0.00 0.00 175.35 175.40 3cfm s ALA 36 N 3.46 2.83 0.40 3.13 0.00 0.07 -4.75 121.76 126.90 3cfm s ALA 36 Ca 0.49 -0.71 0.12 0.00 0.00 0.00 0.00 51.96 51.86 3cfm s ALA 36 Cb -0.18 -2.85 0.95 0.00 0.00 0.00 0.00 23.12 21.04 3cfm s ALA 36 CO 0.12 -1.52 1.91 0.00 0.00 0.00 0.00 175.76 176.27 3cfm h ALA 37 N -0.88 1.98 -0.18 0.00 0.00 -1.96 -0.25 119.26 117.97 3cfm h ALA 37 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3cfm h ALA 37 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3cfm h ALA 37 CO 0.64 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 3cfm n ASP 38 N -4.50 1.68 -0.15 0.00 5.68 -1.26 -4.89 116.55 113.10 3cfm n ASP 38 Ca 0.15 -2.13 -0.02 0.00 -0.50 0.00 0.00 54.79 52.29 3cfm n ASP 38 Cb 0.47 -0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 40.10 3cfm n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3cfm n ASP 39 N 0.13 -4.65 -4.91 -1.12 8.00 -0.10 -5.02 116.55 108.88 3cfm n ASP 39 Ca 0.07 0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.35 3cfm n ASP 39 Cb 0.34 -2.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 3cfm n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cfm s THR 40 N -1.60 4.79 -0.27 -3.53 -4.23 -1.26 -4.82 115.64 104.72 3cfm s THR 40 Ca 0.00 0.18 -0.16 0.00 -1.18 0.00 0.00 61.69 60.53 3cfm s THR 40 Cb 0.00 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3cfm s THR 40 CO 0.00 -0.81 0.42 0.26 -0.54 0.00 0.00 174.62 173.95 3cfm s TRP 41 N -2.76 3.25 -0.14 3.99 0.52 -1.26 -0.75 118.94 121.79 3cfm s TRP 41 Ca 0.48 0.49 -0.03 0.00 0.02 0.00 0.00 56.10 57.06 3cfm s TRP 41 Cb -0.10 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 3cfm s TRP 41 CO 0.45 -0.24 -0.04 -1.21 0.02 0.00 0.00 176.95 175.92 3cfm s GLU 42 N 2.13 3.50 0.23 4.98 8.01 0.02 -4.93 118.70 132.64 3cfm s GLU 42 Ca 0.17 -0.53 -0.31 0.00 0.01 0.00 0.00 54.97 54.31 3cfm s GLU 42 Cb -0.16 -2.85 -0.14 0.00 -4.31 0.00 0.00 34.13 26.68 3cfm s GLU 42 CO 0.10 0.33 1.32 -2.30 0.01 0.00 0.00 175.26 174.71 3cfm n PRO 43 N 3.27 1.79 0.00 0.39 -0.02 -1.26 -0.70 135.00 138.47 3cfm n PRO 43 Ca -0.18 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3cfm n PRO 43 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3cfm n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cfm n PHE 44 N 1.59 0.00 -3.50 6.00 7.35 0.17 -4.77 117.46 124.31 3cfm n PHE 44 Ca 0.12 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.66 3cfm n PHE 44 Cb 0.30 0.08 -0.04 0.00 0.35 0.00 0.00 39.48 40.17 3cfm n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cfm s ALA 45 N -1.93 -1.76 0.20 3.13 0.00 -0.97 -5.00 121.76 115.43 3cfm s ALA 45 Ca 0.00 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 3cfm s ALA 45 Cb 0.00 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3cfm s ALA 45 CO 0.00 -0.49 0.50 -1.54 0.00 0.00 0.00 175.76 174.22 3cfm s SER 46 N -1.70 -0.20 -0.01 0.00 1.04 -1.26 0.75 113.70 112.31 3cfm s SER 46 Ca -0.05 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 55.69 3cfm s SER 46 Cb -0.00 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3cfm s SER 46 CO 0.01 -1.06 0.47 0.61 0.98 0.00 0.00 173.24 174.25 3cfm n GLY 47 N -0.33 0.45 3.19 7.32 0.00 -0.65 -4.97 105.19 110.20 3cfm n GLY 47 Ca -0.08 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 3cfm n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfm s LYS 48 N -2.00 1.40 0.51 1.61 1.02 -1.26 -0.70 119.74 120.32 3cfm s LYS 48 Ca 0.11 -0.73 -0.22 0.00 0.02 0.00 0.00 55.97 55.15 3cfm s LYS 48 Cb -0.00 -1.40 -0.06 0.00 -0.52 0.00 0.00 37.83 35.85 3cfm s LYS 48 CO -0.00 0.37 1.29 0.95 -0.92 0.00 0.00 175.35 177.04 3cfm s THR 49 N -0.55 2.46 0.65 2.17 -4.23 -0.31 -4.79 115.64 111.04 3cfm s THR 49 Ca 0.07 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.81 3cfm s THR 49 Cb -0.07 -3.18 0.15 0.00 1.34 0.00 0.00 72.50 70.74 3cfm s THR 49 CO 0.00 -0.00 0.81 -1.54 -0.54 0.00 0.00 174.62 173.35 3cfm n SER 50 N -0.80 -0.30 0.22 3.99 3.41 0.42 -1.38 113.62 119.19 3cfm n SER 50 Ca 0.09 -1.23 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 3cfm n SER 50 Cb 0.46 -0.64 0.86 0.00 -0.26 0.00 0.00 64.21 64.62 3cfm n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cfm h GLU 51 N 0.00 0.00 -0.45 4.33 4.39 -1.94 -0.18 114.58 120.73 3cfm h GLU 51 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3cfm h GLU 51 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3cfm h GLU 51 CO 0.19 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.91 3cfm n SER 52 N -3.62 2.85 -0.14 1.42 3.41 -1.26 -4.79 113.62 111.47 3cfm n SER 52 Ca 0.01 -1.95 -0.02 0.00 -0.26 0.00 0.00 58.87 56.66 3cfm n SER 52 Cb 0.34 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3cfm n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfm n GLY 53 N 1.37 0.52 3.68 5.00 0.00 -0.08 -4.78 105.19 110.89 3cfm n GLY 53 Ca 0.18 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3cfm n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfm s GLU 54 N -1.19 2.51 -0.16 1.61 2.02 -1.26 -0.69 118.70 121.54 3cfm s GLU 54 Ca 0.00 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 3cfm s GLU 54 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 34.13 31.76 3cfm s GLU 54 CO 0.00 0.53 -0.03 -1.17 0.02 0.00 0.00 175.26 174.62 3cfm s LEU 55 N -2.33 1.35 0.35 1.80 2.96 0.49 -0.44 118.68 122.87 3cfm s LEU 55 Ca 0.26 -0.60 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 3cfm s LEU 55 Cb -0.12 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 3cfm s LEU 55 CO 0.18 -0.21 0.06 -1.00 -1.32 0.00 0.00 176.35 174.06 3cfm s HIS 56 N 1.74 2.58 -1.12 5.38 3.76 -1.26 -1.72 115.29 124.65 3cfm s HIS 56 Ca 0.01 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3cfm s HIS 56 Cb -0.15 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 31.96 3cfm s HIS 56 CO -0.07 0.42 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3cfm n GLY 57 N -1.02 0.36 0.30 -2.22 0.00 -1.26 -4.92 105.19 96.43 3cfm n GLY 57 Ca -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 3cfm n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cfm h LEU 58 N 0.00 0.98 0.00 0.99 3.38 -1.87 -3.47 115.31 115.32 3cfm h LEU 58 Ca -0.27 -0.26 -0.20 0.00 0.09 0.00 0.00 57.88 57.24 3cfm h LEU 58 Cb 1.07 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3cfm h LEU 58 CO 0.35 1.02 -0.10 1.07 0.09 0.00 0.00 178.44 180.87 3cfm n THR 59 N -4.19 0.00 -4.41 0.22 5.66 -1.26 -4.79 114.28 105.51 3cfm n THR 59 Ca 0.03 -1.25 -0.21 0.00 -3.05 0.00 0.00 64.05 59.57 3cfm n THR 59 Cb 0.32 0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 69.78 3cfm n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cfm s THR 60 N -2.70 1.96 0.25 1.09 -4.23 -1.26 -4.59 115.64 106.16 3cfm s THR 60 Ca 0.20 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 3cfm s THR 60 Cb -0.01 -2.23 0.22 0.00 1.34 0.00 0.00 72.50 71.82 3cfm s THR 60 CO 0.15 -0.46 1.78 -0.33 -0.54 0.00 0.00 174.62 175.22 3cfm h GLU 61 N 2.39 0.67 -0.66 3.99 4.39 -1.98 -0.75 114.58 122.64 3cfm h GLU 61 Ca -0.39 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.30 3cfm h GLU 61 Cb 1.24 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 3cfm h GLU 61 CO 0.63 0.44 0.40 1.49 -1.16 0.00 0.00 179.01 180.82 3cfm h GLU 62 N 0.69 0.77 0.00 2.33 4.81 -2.04 -3.10 114.58 118.03 3cfm h GLU 62 Ca 0.42 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3cfm h GLU 62 Cb 0.50 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3cfm h GLU 62 CO -0.30 0.51 -0.83 0.93 -0.73 0.00 0.00 179.01 178.58 3cfm h GLU 63 N 0.79 0.00 -3.26 1.92 5.08 -1.85 -3.40 114.58 113.86 3cfm h GLU 63 Ca 0.27 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.89 3cfm h GLU 63 Cb 0.03 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 3cfm h GLU 63 CO -0.11 0.29 2.57 0.34 -1.00 0.00 0.00 179.01 181.10 3cfm n PHE 64 N -3.01 2.86 -1.63 4.33 7.35 -0.33 -4.96 117.46 122.07 3cfm n PHE 64 Ca -0.02 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 3cfm n PHE 64 Cb 0.72 -2.09 0.08 0.00 0.35 0.00 0.00 39.48 38.54 3cfm n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cfm s VAL 65 N 0.64 3.14 0.49 -2.13 -7.23 -1.26 -4.96 120.40 109.10 3cfm s VAL 65 Ca 0.49 0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 60.80 3cfm s VAL 65 Cb 0.14 -3.17 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 3cfm s VAL 65 CO -0.05 -0.49 1.13 -0.62 -0.31 0.00 0.00 175.10 174.76 3cfm n GLU 66 N -3.34 1.45 0.00 4.82 1.02 -1.26 -4.87 120.64 118.46 3cfm n GLU 66 Ca 0.07 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3cfm n GLU 66 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 3cfm n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cfm n GLY 67 N 1.04 -0.56 3.73 0.62 0.00 -1.18 -4.97 105.19 103.87 3cfm n GLY 67 Ca 0.10 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 3cfm n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfm s ILE 68 N -1.80 5.33 0.17 -0.61 1.01 -1.26 -0.64 121.20 123.40 3cfm s ILE 68 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 60.65 61.21 3cfm s ILE 68 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3cfm s ILE 68 CO 0.00 0.41 -0.23 -0.31 0.00 0.00 0.00 174.94 174.81 3cfm s TYR 69 N 0.41 2.15 -0.10 3.97 1.51 0.22 -1.11 117.35 124.40 3cfm s TYR 69 Ca 0.14 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 3cfm s TYR 69 Cb -0.12 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3cfm s TYR 69 CO 0.02 0.40 -0.11 0.21 -1.11 0.00 0.00 175.55 174.97 3cfm s LYS 70 N -2.49 1.79 -0.32 -0.62 2.20 -0.26 -1.32 119.74 118.71 3cfm s LYS 70 Ca 0.17 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 3cfm s LYS 70 Cb -0.08 -1.63 0.01 0.00 -1.51 0.00 0.00 37.83 34.62 3cfm s LYS 70 CO 0.08 -0.12 0.14 0.08 -0.36 0.00 0.00 175.35 175.16 3cfm s VAL 71 N 1.17 4.29 -0.27 4.02 1.01 0.57 -0.28 120.40 130.92 3cfm s VAL 71 Ca -0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3cfm s VAL 71 Cb -0.14 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3cfm s VAL 71 CO -0.03 -0.03 0.18 -1.61 0.00 0.00 0.00 175.10 173.61 3cfm s GLU 72 N 1.54 3.96 -0.24 2.72 2.02 0.12 -0.85 118.70 127.97 3cfm s GLU 72 Ca 0.03 -0.32 -0.07 0.00 0.02 0.00 0.00 54.97 54.63 3cfm s GLU 72 Cb -0.18 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 3cfm s GLU 72 CO 0.05 -0.13 0.04 0.42 0.02 0.00 0.00 175.26 175.66 3cfm s ILE 73 N 1.60 4.14 -1.37 -1.63 1.01 0.34 -1.03 121.20 124.26 3cfm s ILE 73 Ca 0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 3cfm s ILE 73 Cb -0.15 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.47 3cfm s ILE 73 CO 0.09 0.36 1.98 0.47 0.00 0.00 0.00 174.94 177.85 3cfm n ASP 74 N 4.79 4.45 -0.01 3.58 8.00 -0.05 -1.03 116.55 136.29 3cfm n ASP 74 Ca -0.17 -2.92 -0.09 0.00 0.71 0.00 0.00 54.79 52.33 3cfm n ASP 74 Cb 0.51 -1.64 0.07 0.00 -0.02 0.00 0.00 41.12 40.04 3cfm n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cfm h THR 75 N 4.39 1.31 -0.27 -3.53 1.35 -1.87 -3.16 112.91 111.14 3cfm h THR 75 Ca 0.49 -1.70 0.02 0.00 -0.55 0.00 0.00 66.41 64.67 3cfm h THR 75 Cb 0.71 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 3cfm h THR 75 CO 1.69 0.53 0.11 0.50 -0.25 0.00 0.00 175.52 178.10 3cfm h LYS 76 N 0.46 0.24 -0.44 4.72 3.64 -1.68 -1.77 116.57 121.75 3cfm h LYS 76 Ca 0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3cfm h LYS 76 Cb 1.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3cfm h LYS 76 CO 0.09 0.16 0.15 0.77 -2.27 0.00 0.00 179.45 178.35 3cfm h SER 77 N 0.25 0.57 0.21 4.20 0.02 -1.83 -0.77 113.55 116.19 3cfm h SER 77 Ca 0.12 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3cfm h SER 77 Cb 0.06 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3cfm h SER 77 CO -0.10 0.54 -0.10 0.22 -1.14 0.00 0.00 176.83 176.25 3cfm h TYR 78 N 0.62 -0.26 -0.54 3.45 3.20 -1.39 -1.51 116.97 120.55 3cfm h TYR 78 Ca 0.15 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3cfm h TYR 78 Cb 0.17 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3cfm h TYR 78 CO 0.01 -0.12 -0.01 -1.49 -1.64 0.00 0.00 178.16 174.90 3cfm h TRP 79 N -0.32 1.01 -0.45 -3.82 4.06 -1.08 -2.95 115.95 112.40 3cfm h TRP 79 Ca -0.03 -0.16 0.06 0.00 2.06 0.00 0.00 58.89 60.82 3cfm h TRP 79 Cb 0.25 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.09 3cfm h TRP 79 CO -0.05 0.91 0.15 0.87 -3.56 0.00 0.00 178.44 176.77 3cfm h LYS 80 N 0.86 0.31 0.00 0.49 1.57 -1.01 -1.23 116.57 117.56 3cfm h LYS 80 Ca 0.16 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3cfm h LYS 80 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3cfm h LYS 80 CO 0.03 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.11 3cfm h ALA 81 N 1.30 1.00 -0.27 3.86 0.00 -1.10 -0.72 119.26 123.33 3cfm h ALA 81 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3cfm h ALA 81 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3cfm h ALA 81 CO -0.22 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.31 3cfm n LEU 82 N -3.04 3.30 -1.04 0.00 4.77 -0.61 -4.97 117.00 115.41 3cfm n LEU 82 Ca -0.02 -1.33 -0.10 0.00 -0.03 0.00 0.00 56.01 54.54 3cfm n LEU 82 Cb 0.15 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3cfm n LEU 82 CO 0.22 0.66 -0.12 0.61 -1.33 0.00 0.00 177.39 177.44 3cfm n GLY 83 N 1.46 0.24 3.28 -0.72 0.00 -0.28 -5.02 105.19 104.15 3cfm n GLY 83 Ca 0.18 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3cfm n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfm s ILE 84 N -2.46 2.44 -0.34 -0.61 1.01 -0.57 -5.02 121.20 115.65 3cfm s ILE 84 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 3cfm s ILE 84 Cb 0.00 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3cfm s ILE 84 CO 0.00 0.55 1.23 -0.55 0.00 0.00 0.00 174.94 176.16 3cfm s SER 85 N 0.28 6.71 0.33 3.58 0.15 -1.26 -3.79 113.70 119.70 3cfm s SER 85 Ca -0.14 1.03 0.07 0.00 0.70 0.00 0.00 55.95 57.60 3cfm s SER 85 Cb -0.17 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 3cfm s SER 85 CO 0.07 -1.08 0.45 -2.16 1.20 0.00 0.00 173.24 171.72 3cfm s PRO 86 N 4.13 3.11 -0.19 5.44 0.04 -1.26 -4.85 135.00 141.42 3cfm s PRO 86 Ca 0.52 -1.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.31 3cfm s PRO 86 Cb -0.14 -2.80 -0.21 0.00 0.04 0.00 0.00 34.50 31.39 3cfm s PRO 86 CO 0.23 0.09 0.37 0.35 0.04 0.00 0.00 177.00 178.08 3cfm h PHE 87 N 0.93 0.00 -3.84 0.56 3.57 -1.28 -3.49 116.94 113.40 3cfm h PHE 87 Ca -0.46 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.57 3cfm h PHE 87 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3cfm h PHE 87 CO 0.43 1.34 0.18 -1.01 -2.23 0.00 0.00 178.31 177.03 3cfm s HIS 88 N -2.32 3.35 -0.03 0.41 3.76 -1.26 -5.00 115.29 114.20 3cfm s HIS 88 Ca -0.26 1.35 -0.26 0.00 -0.15 0.00 0.00 55.06 55.75 3cfm s HIS 88 Cb 0.03 -2.64 -0.20 0.00 1.11 0.00 0.00 32.58 30.88 3cfm s HIS 88 CO 0.62 0.02 1.19 0.93 -0.85 0.00 0.00 174.74 176.65 3cfm h GLU 89 N 2.13 -0.04 -2.79 1.40 4.39 -1.97 -3.35 114.58 114.34 3cfm h GLU 89 Ca -0.48 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 3cfm h GLU 89 Cb 1.18 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.66 3cfm h GLU 89 CO 0.64 0.46 -0.04 -1.01 -1.16 0.00 0.00 179.01 177.90 3cfm s HIS 90 N -4.04 -0.36 0.09 4.33 3.76 -1.26 -3.01 115.29 114.80 3cfm s HIS 90 Ca -0.16 0.45 -0.22 0.00 -0.15 0.00 0.00 55.06 54.98 3cfm s HIS 90 Cb 0.01 0.27 -0.07 0.00 1.11 0.00 0.00 32.58 33.90 3cfm s HIS 90 CO 0.65 -0.57 0.66 0.00 -0.85 0.00 0.00 174.74 174.63 3cfm s ALA 91 N -2.08 3.51 -0.10 -1.40 0.00 -0.20 -4.91 121.76 116.58 3cfm s ALA 91 Ca -0.08 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.08 3cfm s ALA 91 Cb -0.01 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.32 3cfm s ALA 91 CO 0.01 0.30 -0.19 -1.21 0.00 0.00 0.00 175.76 174.67 3cfm s GLU 92 N -0.90 2.54 -0.21 0.00 0.41 -1.26 -0.51 118.70 118.77 3cfm s GLU 92 Ca 0.32 -0.69 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 3cfm s GLU 92 Cb -0.21 -2.01 0.05 0.00 -1.78 0.00 0.00 34.13 30.18 3cfm s GLU 92 CO 0.22 0.06 -0.08 0.08 -0.49 0.00 0.00 175.26 175.05 3cfm s VAL 93 N 0.62 1.58 -0.13 2.63 1.01 -0.03 -4.98 120.40 121.11 3cfm s VAL 93 Ca -0.14 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.82 3cfm s VAL 93 Cb -0.16 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3cfm s VAL 93 CO 0.04 0.08 -0.23 -0.69 0.00 0.00 0.00 175.10 174.30 3cfm s VAL 94 N 1.41 2.05 0.15 2.92 1.01 -1.26 -0.32 120.40 126.36 3cfm s VAL 94 Ca -0.03 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 3cfm s VAL 94 Cb -0.17 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3cfm s VAL 94 CO -0.07 0.55 0.46 0.72 0.00 0.00 0.00 175.10 176.75 3cfm s PHE 95 N 0.65 -0.21 -0.20 5.22 -0.71 -0.44 -5.00 117.98 117.30 3cfm s PHE 95 Ca -0.11 -0.10 -0.14 0.00 -1.04 0.00 0.00 56.93 55.53 3cfm s PHE 95 Cb -0.16 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 3cfm s PHE 95 CO 0.02 -0.78 0.33 0.99 -1.34 0.00 0.00 175.22 174.44 3cfm s THR 96 N -3.82 5.25 -0.04 -4.49 2.01 -1.26 -0.61 115.64 112.68 3cfm s THR 96 Ca 0.05 0.58 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 3cfm s THR 96 Cb 0.01 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3cfm s THR 96 CO -0.09 0.30 0.90 0.00 -0.69 0.00 0.00 174.62 175.04 3cfm s ALA 97 N 1.07 3.25 -0.07 7.40 0.00 0.19 -4.96 121.76 128.65 3cfm s ALA 97 Ca 0.16 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3cfm s ALA 97 Cb -0.14 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3cfm s ALA 97 CO 0.06 -0.27 -0.12 -0.80 0.00 0.00 0.00 175.76 174.63 3cfm s ASN 98 N 0.98 1.79 0.37 0.00 -0.87 -1.26 -3.09 114.94 112.86 3cfm s ASN 98 Ca 0.47 -0.30 0.18 0.00 -1.57 0.00 0.00 52.86 51.64 3cfm s ASN 98 Cb -0.20 -0.83 0.69 0.00 -0.02 0.00 0.00 41.25 40.89 3cfm s ASN 98 CO 0.23 0.04 1.75 0.44 -2.57 0.00 0.00 177.10 176.98 3cfm h ASP 99 N 6.96 0.00 0.65 -1.22 5.19 -1.96 -3.29 116.42 122.74 3cfm h ASP 99 Ca -0.31 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 3cfm h ASP 99 Cb 1.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.70 3cfm h ASP 99 CO 0.47 0.39 -0.32 0.77 -3.12 0.00 0.00 179.24 177.43 3cfm h SER 100 N 0.00 -0.75 -1.85 6.45 4.64 -2.04 -3.46 113.55 116.54 3cfm h SER 100 Ca -0.00 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3cfm h SER 100 Cb 0.87 0.20 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3cfm h SER 100 CO 0.05 -0.53 0.02 0.61 -0.87 0.00 0.00 176.83 176.11 3cfm n GLY 101 N -1.47 -2.03 3.40 -0.77 0.00 -1.24 -4.99 105.19 98.09 3cfm n GLY 101 Ca -0.13 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 3cfm n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cfm n PRO 102 N -1.64 0.22 0.02 1.61 -0.02 -1.26 -4.93 135.00 128.99 3cfm n PRO 102 Ca 0.02 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.56 3cfm n PRO 102 Cb 0.06 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3cfm n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfm h ARG 103 N -0.42 0.00 -5.21 -0.52 2.47 -1.68 -3.44 114.38 105.58 3cfm h ARG 103 Ca -0.45 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.62 3cfm h ARG 103 Cb 1.35 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.43 3cfm h ARG 103 CO 0.41 0.40 -0.71 1.03 0.56 0.00 0.00 179.97 181.66 3cfm s ARG 104 N -2.79 3.50 -0.23 0.04 0.52 -0.12 -4.78 118.95 115.10 3cfm s ARG 104 Ca -0.03 -0.60 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3cfm s ARG 104 Cb 0.08 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 3cfm s ARG 104 CO 0.81 0.10 0.06 0.71 0.02 0.00 0.00 175.30 177.00 3cfm s TYR 105 N 0.71 3.12 -0.24 -0.53 1.51 0.63 -1.36 117.35 121.20 3cfm s TYR 105 Ca -0.03 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3cfm s TYR 105 Cb -0.15 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3cfm s TYR 105 CO 0.02 -0.21 -0.04 0.99 -1.11 0.00 0.00 175.55 175.20 3cfm s THR 106 N 1.23 3.27 -0.44 -0.71 2.01 -0.00 -0.70 115.64 120.30 3cfm s THR 106 Ca 0.04 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 3cfm s THR 106 Cb -0.14 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.83 3cfm s THR 106 CO 0.03 0.33 0.54 -0.63 -0.69 0.00 0.00 174.62 174.20 3cfm s ILE 107 N 1.44 4.96 -0.06 1.82 -1.09 0.29 -1.07 121.20 127.47 3cfm s ILE 107 Ca 0.04 -0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.24 3cfm s ILE 107 Cb -0.15 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3cfm s ILE 107 CO -0.03 -0.53 0.17 0.00 -1.23 0.00 0.00 174.94 173.32 3cfm s ALA 108 N 2.47 3.91 -0.00 9.38 0.00 0.29 -1.07 121.76 136.74 3cfm s ALA 108 Ca 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3cfm s ALA 108 Cb -0.16 -1.95 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 3cfm s ALA 108 CO 0.16 0.68 -0.04 0.00 0.00 0.00 0.00 175.76 176.55 3cfm s ALA 109 N -1.18 0.36 -0.21 0.00 0.00 0.11 -1.01 121.76 119.84 3cfm s ALA 109 Ca 0.21 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3cfm s ALA 109 Cb -0.12 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.95 3cfm s ALA 109 CO 0.11 0.08 -0.15 -1.17 0.00 0.00 0.00 175.76 174.63 3cfm s LEU 110 N -0.20 2.54 -0.17 0.00 2.96 -0.17 -0.56 118.68 123.08 3cfm s LEU 110 Ca 0.01 -0.91 -0.06 0.00 -0.22 0.00 0.00 54.13 52.95 3cfm s LEU 110 Cb -0.02 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3cfm s LEU 110 CO -0.00 -0.08 0.03 -0.76 -1.32 0.00 0.00 176.35 174.21 3cfm s LEU 111 N 1.26 3.62 0.20 -0.68 1.43 -0.03 -1.77 118.68 122.72 3cfm s LEU 111 Ca -0.00 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 3cfm s LEU 111 Cb -0.16 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3cfm s LEU 111 CO -0.10 0.19 -0.15 -0.44 0.23 0.00 0.00 176.35 176.08 3cfm s SER 112 N 0.27 2.66 0.33 2.29 0.01 0.82 -0.75 113.70 119.33 3cfm s SER 112 Ca 0.01 -0.99 0.07 0.00 1.31 0.00 0.00 55.95 56.35 3cfm s SER 112 Cb -0.13 -0.15 0.76 0.00 0.21 0.00 0.00 66.02 66.71 3cfm s SER 112 CO 0.01 -0.13 1.83 -0.65 0.41 0.00 0.00 173.24 174.71 3cfm h PRO 113 N 2.68 0.74 -0.08 12.44 0.11 -1.99 -2.96 132.00 142.94 3cfm h PRO 113 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3cfm h PRO 113 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3cfm h PRO 113 CO 0.60 0.49 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 3cfm n TYR 114 N -4.63 0.17 -3.63 0.65 4.02 -1.26 -0.72 117.16 111.76 3cfm n TYR 114 Ca 0.20 -0.70 -0.15 0.00 -0.01 0.00 0.00 57.90 57.24 3cfm n TYR 114 Cb 0.50 -0.11 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 3cfm n TYR 114 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3cfm s SER 115 N -1.70 -0.55 0.03 7.72 0.01 -1.12 -4.96 113.70 113.14 3cfm s SER 115 Ca 0.18 0.78 -0.07 0.00 1.31 0.00 0.00 55.95 58.16 3cfm s SER 115 Cb 0.14 0.77 -0.00 0.00 0.21 0.00 0.00 66.02 67.14 3cfm s SER 115 CO 0.04 -0.41 0.13 -0.72 0.41 0.00 0.00 173.24 172.69 3cfm s TYR 116 N -0.60 0.12 0.20 2.43 -0.85 -1.26 -0.13 117.35 117.26 3cfm s TYR 116 Ca -0.07 -0.35 0.11 0.00 -0.52 0.00 0.00 57.07 56.24 3cfm s TYR 116 Cb -0.03 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 3cfm s TYR 116 CO 0.05 -0.36 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.98 3cfm s SER 117 N -1.92 3.65 -0.00 -0.18 1.04 -0.73 -4.98 113.70 110.58 3cfm s SER 117 Ca -0.08 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.55 3cfm s SER 117 Cb -0.03 -0.37 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 3cfm s SER 117 CO -0.03 0.11 -0.04 0.28 0.98 0.00 0.00 173.24 174.54 3cfm s THR 118 N -1.77 0.31 0.01 2.02 -1.32 -1.26 -1.00 115.64 112.63 3cfm s THR 118 Ca 0.23 -0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.58 3cfm s THR 118 Cb -0.08 -0.27 -0.01 0.00 -1.51 0.00 0.00 72.50 70.63 3cfm s THR 118 CO 0.12 0.09 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.64 3cfm s THR 119 N -0.02 0.73 -0.22 5.08 2.01 -0.18 -4.99 115.64 118.05 3cfm s THR 119 Ca 0.01 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 3cfm s THR 119 Cb -0.02 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 3cfm s THR 119 CO -0.00 0.06 0.08 0.00 -0.69 0.00 0.00 174.62 174.07 3cfm s ALA 120 N -0.51 3.32 -0.30 7.40 0.00 -1.26 -0.55 121.76 129.87 3cfm s ALA 120 Ca 0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 3cfm s ALA 120 Cb -0.05 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 21.08 3cfm s ALA 120 CO 0.00 -0.14 0.02 0.08 0.00 0.00 0.00 175.76 175.72 3cfm s VAL 121 N 0.98 3.26 -0.26 0.00 1.01 -0.24 -4.99 120.40 120.17 3cfm s VAL 121 Ca 0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 3cfm s VAL 121 Cb -0.14 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.48 3cfm s VAL 121 CO 0.03 -0.03 -0.05 -0.69 0.00 0.00 0.00 175.10 174.36 3cfm s VAL 122 N 1.33 2.84 0.18 2.92 1.01 -1.26 -0.82 120.40 126.60 3cfm s VAL 122 Ca -0.02 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 60.85 3cfm s VAL 122 Cb -0.19 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3cfm s VAL 122 CO -0.01 0.12 -0.08 0.42 0.00 0.00 0.00 175.10 175.55 3cfm s THR 123 N 1.29 1.18 -2.38 3.92 -4.23 -0.46 -4.81 115.64 110.16 3cfm s THR 123 Ca -0.02 -2.07 0.29 0.00 -1.18 0.00 0.00 61.69 58.72 3cfm s THR 123 Cb -0.18 -2.01 0.64 0.00 1.34 0.00 0.00 72.50 72.30 3cfm s THR 123 CO -0.04 -0.61 1.86 0.59 -0.54 0.00 0.00 174.62 175.88