#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gps h PRO 11 N 0.00 0.00 -3.04 0.00 0.11 -1.91 -3.42 132.00 123.75 3gps h PRO 11 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3gps h PRO 11 Cb 0.00 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 30.79 3gps h PRO 11 CO 0.00 0.06 -0.55 -1.17 -0.21 0.00 0.00 178.00 176.12 3gps s LEU 12 N -8.82 0.16 0.06 2.35 2.96 -1.25 -0.31 118.68 113.82 3gps s LEU 12 Ca -0.05 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3gps s LEU 12 Cb 0.16 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 47.38 3gps s LEU 12 CO 0.67 -0.20 -0.07 0.00 -1.32 0.00 0.00 176.35 175.42 3gps s MET 13 N 1.80 0.61 -0.05 1.98 0.23 -0.34 -4.37 119.30 119.16 3gps s MET 13 Ca -0.04 -0.92 0.05 0.00 -1.03 0.00 0.00 55.69 53.75 3gps s MET 13 Cb -0.11 -0.25 -0.00 0.00 -1.53 0.00 0.00 34.83 32.93 3gps s MET 13 CO -0.07 0.03 -0.19 0.08 -2.03 0.00 0.00 175.02 172.83 3gps s VAL 14 N -2.04 1.63 -0.06 5.16 1.01 -1.12 -0.57 120.40 124.40 3gps s VAL 14 Ca -0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3gps s VAL 14 Cb -0.05 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3gps s VAL 14 CO -0.01 0.46 -0.02 -0.75 0.00 0.00 0.00 175.10 174.78 3gps s LYS 15 N 0.07 0.72 -0.15 2.72 2.20 0.17 -0.81 119.74 124.66 3gps s LYS 15 Ca -0.06 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 3gps s LYS 15 Cb -0.13 -0.92 0.01 0.00 -1.51 0.00 0.00 37.83 35.28 3gps s LYS 15 CO 0.03 -0.21 -0.21 0.08 -0.36 0.00 0.00 175.35 174.69 3gps s VAL 16 N 1.50 2.03 0.02 4.02 1.01 0.10 -0.91 120.40 128.17 3gps s VAL 16 Ca -0.02 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.07 3gps s VAL 16 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3gps s VAL 16 CO -0.03 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.69 3gps s LEU 17 N 0.98 2.72 -0.53 3.92 2.01 0.17 -1.46 118.68 126.49 3gps s LEU 17 Ca -0.03 -0.34 -0.20 0.00 0.01 0.00 0.00 54.13 53.57 3gps s LEU 17 Cb -0.15 -1.58 0.07 0.00 0.01 0.00 0.00 46.19 44.54 3gps s LEU 17 CO -0.05 0.27 0.68 -0.62 1.01 0.00 0.00 176.35 177.64 3gps s ASP 18 N -1.33 6.22 0.15 2.29 -1.08 0.68 -1.00 116.67 122.61 3gps s ASP 18 Ca 0.15 -0.97 0.24 0.00 -0.52 0.00 0.00 52.55 51.45 3gps s ASP 18 Cb -0.11 -2.31 0.92 0.00 -1.46 0.00 0.00 42.92 39.97 3gps s ASP 18 CO 0.05 -0.98 1.75 0.00 0.52 0.00 0.00 175.17 176.51 3gps n ALA 19 N 6.36 2.05 0.06 3.66 0.00 -0.25 -1.19 120.51 131.20 3gps n ALA 19 Ca -0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3gps n ALA 19 Cb 0.45 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 3gps n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gps h VAL 20 N 0.00 1.46 -0.01 0.00 2.07 -1.92 -3.38 116.25 114.47 3gps h VAL 20 Ca 0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3gps h VAL 20 Cb 0.52 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3gps h VAL 20 CO 0.00 0.72 -0.62 0.54 0.02 0.00 0.00 177.57 178.23 3gps n ARG 21 N -4.05 1.15 -3.16 1.57 1.74 -1.19 -5.00 116.66 107.70 3gps n ARG 21 Ca -0.14 -0.53 -0.14 0.00 -0.77 0.00 0.00 57.85 56.27 3gps n ARG 21 Cb 0.86 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 30.98 3gps n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gps n GLY 22 N 1.37 -0.29 3.13 -0.13 0.00 -0.33 -5.05 105.19 103.89 3gps n GLY 22 Ca 0.06 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3gps n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gps s SER 23 N -4.04 0.31 0.57 1.61 0.01 -1.08 -5.01 113.70 106.07 3gps s SER 23 Ca 0.04 -0.80 -0.20 0.00 1.31 0.00 0.00 55.95 56.31 3gps s SER 23 Cb -0.01 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.42 3gps s SER 23 CO 0.61 -0.62 1.03 -0.81 0.41 0.00 0.00 173.24 173.85 3gps n PRO 24 N 0.20 1.05 -3.13 12.44 -0.04 -1.26 -0.23 135.00 144.03 3gps n PRO 24 Ca -0.15 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 3gps n PRO 24 Cb 0.61 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 3gps n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gps s ALA 25 N -1.45 3.37 -0.06 0.55 0.00 -0.54 -4.58 121.76 119.04 3gps s ALA 25 Ca 0.74 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3gps s ALA 25 Cb -0.43 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3gps s ALA 25 CO 0.48 -1.71 0.01 0.42 0.00 0.00 0.00 175.76 174.96 3gps s ILE 26 N 2.74 4.31 -1.60 0.00 1.01 -1.26 -4.26 121.20 122.14 3gps s ILE 26 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3gps s ILE 26 Cb -0.14 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3gps s ILE 26 CO 0.18 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.25 3gps n ASN 27 N 1.91 -5.19 -4.78 3.58 5.03 0.18 -4.91 115.26 111.09 3gps n ASN 27 Ca -0.17 0.08 -0.38 0.00 0.87 0.00 0.00 54.58 54.98 3gps n ASN 27 Cb 0.53 -4.26 -0.06 0.00 -1.02 0.00 0.00 39.78 34.97 3gps n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3gps s VAL 28 N -2.84 5.16 0.21 2.41 1.01 -1.26 -4.71 120.40 120.38 3gps s VAL 28 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3gps s VAL 28 Cb 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 3gps s VAL 28 CO 0.00 0.46 1.14 0.00 0.00 0.00 0.00 175.10 176.69 3gps s ALA 29 N -0.18 3.41 -0.05 5.51 0.00 -1.26 -1.16 121.76 128.03 3gps s ALA 29 Ca 0.23 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3gps s ALA 29 Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3gps s ALA 29 CO 0.10 -0.26 -0.15 0.08 0.00 0.00 0.00 175.76 175.53 3gps s VAL 30 N -0.41 1.26 -0.08 0.00 1.01 0.04 -0.50 120.40 121.73 3gps s VAL 30 Ca 0.49 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3gps s VAL 30 Cb -0.31 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3gps s VAL 30 CO 0.37 0.37 -0.21 -1.00 0.00 0.00 0.00 175.10 174.64 3gps s HIS 31 N 0.28 2.57 -0.08 5.22 3.76 0.21 -1.87 115.29 125.38 3gps s HIS 31 Ca -0.08 -0.70 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 3gps s HIS 31 Cb -0.13 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 3gps s HIS 31 CO 0.03 -0.21 -0.10 0.08 -0.85 0.00 0.00 174.74 173.69 3gps s VAL 32 N -0.03 3.44 0.11 -0.90 1.01 0.66 -0.22 120.40 124.48 3gps s VAL 32 Ca -0.06 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3gps s VAL 32 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3gps s VAL 32 CO 0.05 0.58 -0.15 -0.36 0.00 0.00 0.00 175.10 175.22 3gps s PHE 33 N -0.53 1.42 -0.05 5.22 0.08 -0.16 -1.11 117.98 122.86 3gps s PHE 33 Ca 0.08 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.66 3gps s PHE 33 Cb -0.12 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 3gps s PHE 33 CO 0.02 0.14 -0.21 0.50 -0.10 0.00 0.00 175.22 175.56 3gps s ARG 34 N -2.43 2.15 0.08 0.44 3.52 0.18 -1.16 118.95 121.72 3gps s ARG 34 Ca 0.07 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 54.59 3gps s ARG 34 Cb -0.06 -1.86 -0.07 0.00 -1.56 0.00 0.00 34.95 31.40 3gps s ARG 34 CO 0.03 0.33 1.31 0.21 -0.81 0.00 0.00 175.30 176.37 3gps s LYS 35 N -0.11 4.36 0.76 5.12 2.47 0.68 -1.43 119.74 131.60 3gps s LYS 35 Ca -0.03 1.93 -0.04 0.00 -1.56 0.00 0.00 55.97 56.27 3gps s LYS 35 Cb -0.12 -3.33 0.13 0.00 -1.46 0.00 0.00 37.83 33.05 3gps s LYS 35 CO 0.03 -0.38 1.05 0.00 0.16 0.00 0.00 175.35 176.20 3gps s ALA 36 N 1.26 3.41 0.12 3.13 0.00 0.11 -4.70 121.76 125.09 3gps s ALA 36 Ca 0.62 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.73 3gps s ALA 36 Cb -0.33 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.53 3gps s ALA 36 CO 0.29 -1.61 1.46 0.00 0.00 0.00 0.00 175.76 175.91 3gps h ALA 37 N -0.72 -0.62 -2.01 0.00 0.00 -1.94 -3.40 119.26 110.58 3gps h ALA 37 Ca -0.38 0.04 -0.40 0.00 0.00 0.00 0.00 54.91 54.17 3gps h ALA 37 Cb 1.26 1.16 0.21 0.00 0.00 0.00 0.00 17.79 20.43 3gps h ALA 37 CO 0.41 -0.89 -0.07 0.16 0.00 0.00 0.00 179.25 178.86 3gps s ASP 38 N -4.86 -0.51 0.00 0.00 1.47 -1.26 -4.85 116.67 106.66 3gps s ASP 38 Ca -0.11 0.93 0.07 0.00 1.18 0.00 0.00 52.55 54.61 3gps s ASP 38 Cb 0.08 -1.35 0.34 0.00 -0.34 0.00 0.00 42.92 41.65 3gps s ASP 38 CO 0.52 -5.04 1.07 0.47 0.68 0.00 0.00 175.17 172.87 3gps n ASP 39 N -5.42 0.00 -4.84 2.11 9.92 -1.26 -4.91 116.55 112.15 3gps n ASP 39 Ca 0.11 0.20 -0.32 0.00 -0.53 0.00 0.00 54.79 54.24 3gps n ASP 39 Cb 0.59 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.74 3gps n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3gps s THR 40 N -2.58 4.49 -0.39 -3.53 -4.23 -1.26 -4.61 115.64 103.52 3gps s THR 40 Ca 0.06 1.24 -0.22 0.00 -1.18 0.00 0.00 61.69 61.59 3gps s THR 40 Cb 0.04 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.21 3gps s THR 40 CO 0.10 -0.63 0.75 0.26 -0.54 0.00 0.00 174.62 174.56 3gps s TRP 41 N -2.56 3.09 -0.15 3.99 0.52 -1.26 0.10 118.94 122.67 3gps s TRP 41 Ca 0.60 0.39 -0.18 0.00 0.02 0.00 0.00 56.10 56.92 3gps s TRP 41 Cb -0.10 -3.42 -0.04 0.00 -1.15 0.00 0.00 33.47 28.76 3gps s TRP 41 CO 0.29 -0.78 0.49 -2.00 0.02 0.00 0.00 176.95 174.96 3gps s GLU 42 N 3.06 4.29 0.19 4.98 2.12 -0.51 -4.89 118.70 127.94 3gps s GLU 42 Ca 0.29 0.43 -0.33 0.00 0.36 0.00 0.00 54.97 55.72 3gps s GLU 42 Cb -0.13 -3.48 -0.15 0.00 0.26 0.00 0.00 34.13 30.63 3gps s GLU 42 CO 0.18 0.06 1.30 -2.30 -0.54 0.00 0.00 175.26 173.97 3gps n PRO 43 N 4.02 1.55 0.00 4.30 -0.02 -1.26 -0.65 135.00 142.94 3gps n PRO 43 Ca -0.06 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3gps n PRO 43 Cb 0.51 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3gps n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gps n PHE 44 N 1.92 0.00 -3.52 6.00 7.35 -0.26 -4.80 117.46 124.14 3gps n PHE 44 Ca 0.14 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.75 3gps n PHE 44 Cb 0.27 0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.15 3gps n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gps s ALA 45 N -1.91 -1.83 0.30 3.13 0.00 -1.12 -5.01 121.76 115.32 3gps s ALA 45 Ca 0.00 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 3gps s ALA 45 Cb 0.00 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3gps s ALA 45 CO 0.00 -0.70 0.68 -1.54 0.00 0.00 0.00 175.76 174.21 3gps s SER 46 N -2.48 -0.11 0.00 0.00 1.04 -1.26 -0.25 113.70 110.63 3gps s SER 46 Ca 0.06 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3gps s SER 46 Cb -0.01 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3gps s SER 46 CO -0.08 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.35 3gps n GLY 47 N -0.47 -1.24 3.17 7.32 0.00 -0.78 -4.99 105.19 108.20 3gps n GLY 47 Ca -0.04 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 3gps n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gps s LYS 48 N -1.13 0.93 0.55 1.61 1.02 -1.26 -0.78 119.74 120.68 3gps s LYS 48 Ca 0.00 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 3gps s LYS 48 Cb 0.00 -0.97 -0.06 0.00 -0.52 0.00 0.00 37.83 36.29 3gps s LYS 48 CO 0.00 0.23 1.13 0.95 -0.92 0.00 0.00 175.35 176.74 3gps s THR 49 N -1.01 3.14 0.69 2.17 -4.23 -0.31 -4.80 115.64 111.29 3gps s THR 49 Ca 0.01 0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 3gps s THR 49 Cb -0.09 -3.29 0.16 0.00 1.34 0.00 0.00 72.50 70.63 3gps s THR 49 CO 0.02 -0.15 0.88 -1.54 -0.54 0.00 0.00 174.62 173.29 3gps n SER 50 N -1.31 -0.22 0.26 3.99 3.41 0.35 -0.65 113.62 119.45 3gps n SER 50 Ca 0.12 -1.27 0.18 0.00 -0.26 0.00 0.00 58.87 57.64 3gps n SER 50 Cb 0.51 -0.69 0.87 0.00 -0.26 0.00 0.00 64.21 64.63 3gps n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gps h GLU 51 N 0.00 0.00 -0.45 4.33 5.08 -1.93 0.01 114.58 121.62 3gps h GLU 51 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3gps h GLU 51 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3gps h GLU 51 CO 0.20 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.08 3gps n SER 52 N -2.81 3.39 -0.11 1.42 3.41 -1.26 -4.81 113.62 112.86 3gps n SER 52 Ca -0.01 -1.98 -0.01 0.00 -0.26 0.00 0.00 58.87 56.61 3gps n SER 52 Cb 0.14 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3gps n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gps n GLY 53 N 1.51 0.51 3.64 5.00 0.00 -0.01 -4.81 105.19 111.03 3gps n GLY 53 Ca 0.20 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 3gps n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gps s GLU 54 N -1.49 2.40 -0.21 1.61 2.02 -1.26 -0.72 118.70 121.05 3gps s GLU 54 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.10 3gps s GLU 54 Cb 0.00 -2.45 0.05 0.00 0.10 0.00 0.00 34.13 31.83 3gps s GLU 54 CO 0.00 0.54 -0.05 -1.17 0.02 0.00 0.00 175.26 174.60 3gps s LEU 55 N -2.15 2.21 0.23 1.80 2.96 0.01 -0.49 118.68 123.26 3gps s LEU 55 Ca 0.23 -1.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3gps s LEU 55 Cb -0.11 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3gps s LEU 55 CO 0.15 -0.22 0.14 -1.00 -1.32 0.00 0.00 176.35 174.10 3gps s HIS 56 N 1.49 3.03 -0.47 5.38 3.76 -1.26 -2.79 115.29 124.43 3gps s HIS 56 Ca -0.04 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 3gps s HIS 56 Cb -0.18 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.13 3gps s HIS 56 CO -0.07 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 3gps n GLY 57 N -0.93 0.24 0.23 -2.22 0.00 -1.26 -4.94 105.19 96.31 3gps n GLY 57 Ca -0.08 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 3gps n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gps h LEU 58 N 0.00 0.88 -8.37 0.99 3.38 -1.84 -3.48 115.31 106.88 3gps h LEU 58 Ca -0.12 -0.52 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 3gps h LEU 58 Cb 0.99 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 3gps h LEU 58 CO 0.15 1.30 -0.22 0.28 0.09 0.00 0.00 178.44 180.04 3gps s THR 59 N -3.95 0.00 0.23 0.22 -1.32 -1.26 -4.80 115.64 104.76 3gps s THR 59 Ca -0.10 -1.56 0.10 0.00 -1.21 0.00 0.00 61.69 58.93 3gps s THR 59 Cb 0.10 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.68 3gps s THR 59 CO 0.89 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 173.62 3gps s THR 60 N -3.80 3.06 0.32 5.08 -4.23 -1.26 -4.48 115.64 110.33 3gps s THR 60 Ca 0.27 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 58.92 3gps s THR 60 Cb 0.01 -2.58 0.33 0.00 1.34 0.00 0.00 72.50 71.60 3gps s THR 60 CO 0.12 -0.27 1.64 -0.33 -0.54 0.00 0.00 174.62 175.24 3gps h GLU 61 N 2.42 0.22 0.05 3.99 4.39 -2.00 -0.90 114.58 122.75 3gps h GLU 61 Ca -0.44 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.01 3gps h GLU 61 Cb 1.23 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 3gps h GLU 61 CO 0.57 0.15 -1.07 1.05 -1.16 0.00 0.00 179.01 178.55 3gps h GLU 62 N 0.23 0.11 0.00 2.33 4.11 -2.03 -3.14 114.58 116.19 3gps h GLU 62 Ca 0.66 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.91 3gps h GLU 62 Cb 1.44 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3gps h GLU 62 CO -0.66 1.07 0.00 1.05 0.07 0.00 0.00 179.01 180.53 3gps h GLU 63 N 0.03 0.00 -3.18 1.06 4.11 -1.82 -3.37 114.58 111.42 3gps h GLU 63 Ca -0.06 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.64 3gps h GLU 63 Cb 1.81 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.95 3gps h GLU 63 CO 0.16 0.00 2.49 0.34 0.07 0.00 0.00 179.01 182.06 3gps n PHE 64 N -2.74 2.81 -1.68 2.06 7.35 -0.40 -4.95 117.46 119.92 3gps n PHE 64 Ca 0.04 -2.85 -0.29 0.00 -0.76 0.00 0.00 57.45 53.59 3gps n PHE 64 Cb 0.45 -2.03 0.16 0.00 0.35 0.00 0.00 39.48 38.41 3gps n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3gps s VAL 65 N 0.32 1.94 0.47 -2.13 -7.23 -1.26 -4.97 120.40 107.55 3gps s VAL 65 Ca 0.49 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.42 3gps s VAL 65 Cb 0.14 -2.85 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 3gps s VAL 65 CO -0.05 0.00 1.25 -1.61 -0.31 0.00 0.00 175.10 174.39 3gps s GLU 66 N -5.56 3.65 0.00 4.82 2.02 -1.26 -4.88 118.70 117.50 3gps s GLU 66 Ca 0.68 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.67 3gps s GLU 66 Cb -0.10 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3gps s GLU 66 CO 0.53 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.51 3gps n GLY 67 N 0.59 -1.80 3.55 -1.39 0.00 -1.23 -5.03 105.19 99.88 3gps n GLY 67 Ca 0.07 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 3gps n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gps s ILE 68 N -2.66 4.32 -0.01 -0.61 -1.09 -1.26 -0.67 121.20 119.22 3gps s ILE 68 Ca 0.00 -0.20 0.07 0.00 -2.23 0.00 0.00 60.65 58.29 3gps s ILE 68 Cb 0.00 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 3gps s ILE 68 CO 0.00 0.46 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.64 3gps s TYR 69 N 0.50 2.45 -0.11 3.97 2.02 0.12 -0.23 117.35 126.08 3gps s TYR 69 Ca 0.00 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3gps s TYR 69 Cb -0.13 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 3gps s TYR 69 CO 0.02 0.09 -0.19 0.21 -1.57 0.00 0.00 175.55 174.10 3gps s LYS 70 N -0.88 3.14 -0.21 -0.62 2.20 -0.31 -0.71 119.74 122.35 3gps s LYS 70 Ca 0.11 -0.79 -0.06 0.00 -0.36 0.00 0.00 55.97 54.87 3gps s LYS 70 Cb -0.10 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3gps s LYS 70 CO 0.01 0.22 0.02 0.08 -0.36 0.00 0.00 175.35 175.32 3gps s VAL 71 N 0.27 4.05 -0.23 4.02 1.01 0.86 -0.99 120.40 129.40 3gps s VAL 71 Ca -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3gps s VAL 71 Cb -0.17 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3gps s VAL 71 CO 0.07 0.41 -0.08 -1.61 0.00 0.00 0.00 175.10 173.89 3gps s GLU 72 N 1.08 3.01 -0.24 2.72 2.02 0.70 -0.23 118.70 127.75 3gps s GLU 72 Ca 0.03 -0.86 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 3gps s GLU 72 Cb -0.14 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 3gps s GLU 72 CO 0.02 -0.31 0.10 0.42 0.02 0.00 0.00 175.26 175.51 3gps s ILE 73 N 1.36 4.71 -0.15 -1.63 1.01 0.73 -0.62 121.20 126.60 3gps s ILE 73 Ca 0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 3gps s ILE 73 Cb -0.15 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 3gps s ILE 73 CO -0.06 0.35 1.17 -0.62 0.00 0.00 0.00 174.94 175.78 3gps s ASP 74 N 1.32 7.03 0.00 3.58 2.15 0.35 -1.20 116.67 129.90 3gps s ASP 74 Ca 0.06 1.63 0.03 0.00 0.43 0.00 0.00 52.55 54.69 3gps s ASP 74 Cb -0.15 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.90 3gps s ASP 74 CO 0.05 -0.68 0.11 0.35 -0.17 0.00 0.00 175.17 174.83 3gps n THR 75 N 5.14 0.00 -0.15 1.71 -2.24 -0.75 -4.56 114.28 113.43 3gps n THR 75 Ca 0.12 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 3gps n THR 75 Cb 0.46 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3gps n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gps h LYS 76 N 0.00 -0.08 -0.07 -0.78 3.64 -1.70 -2.49 116.57 115.10 3gps h LYS 76 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gps h LYS 76 Cb 0.06 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3gps h LYS 76 CO 0.00 -0.05 0.00 -1.13 -2.27 0.00 0.00 179.45 176.00 3gps n SER 77 N -5.38 2.12 -0.32 4.20 3.41 -1.26 -4.48 113.62 111.90 3gps n SER 77 Ca 0.04 -1.56 0.12 0.00 -0.26 0.00 0.00 58.87 57.21 3gps n SER 77 Cb 0.29 -0.04 0.31 0.00 -0.26 0.00 0.00 64.21 64.51 3gps n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3gps h TYR 78 N 2.24 0.86 -0.59 7.33 3.20 -1.75 -0.54 116.97 127.70 3gps h TYR 78 Ca 0.00 0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.65 3gps h TYR 78 Cb 0.52 -0.24 -0.15 0.00 1.54 0.00 0.00 36.73 38.41 3gps h TYR 78 CO 0.04 0.10 0.20 0.91 -1.64 0.00 0.00 178.16 177.77 3gps n TRP 79 N -4.90 1.88 -0.33 -3.82 8.01 -1.26 -4.57 117.44 112.44 3gps n TRP 79 Ca 0.22 -1.48 0.08 0.00 -1.31 0.00 0.00 57.50 55.01 3gps n TRP 79 Cb 0.60 -0.63 0.25 0.00 -2.01 0.00 0.00 31.31 29.52 3gps n TRP 79 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 3gps h LYS 80 N 1.46 0.78 0.00 -0.99 1.79 -1.27 -1.22 116.57 117.12 3gps h LYS 80 Ca 0.31 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3gps h LYS 80 Cb 2.09 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.57 3gps h LYS 80 CO 0.63 0.51 0.00 0.00 -1.08 0.00 0.00 179.45 179.51 3gps h ALA 81 N 1.57 1.00 0.00 3.86 0.00 -1.81 -0.84 119.26 123.04 3gps h ALA 81 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3gps h ALA 81 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gps h ALA 81 CO -0.33 0.00 -0.52 1.28 0.00 0.00 0.00 179.25 179.68 3gps n LEU 82 N -2.33 0.60 0.00 0.00 7.99 -0.47 -4.94 117.00 117.85 3gps n LEU 82 Ca 0.01 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 3gps n LEU 82 Cb 0.19 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 3gps n LEU 82 CO 0.18 -0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 3gps n GLY 83 N 1.39 0.55 3.20 -0.72 0.00 -0.32 -5.06 105.19 104.24 3gps n GLY 83 Ca 0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3gps n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gps s ILE 84 N -2.00 1.76 -0.17 -0.61 1.01 -1.17 -5.05 121.20 114.97 3gps s ILE 84 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 3gps s ILE 84 Cb 0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3gps s ILE 84 CO 0.00 0.50 0.50 -0.55 0.00 0.00 0.00 174.94 175.39 3gps s SER 85 N -0.05 6.61 0.96 3.58 0.15 -1.26 -4.28 113.70 119.41 3gps s SER 85 Ca -0.04 0.73 -0.15 0.00 0.70 0.00 0.00 55.95 57.18 3gps s SER 85 Cb -0.13 -2.29 0.19 0.00 -1.71 0.00 0.00 66.02 62.08 3gps s SER 85 CO 0.03 -0.11 1.27 -2.16 1.20 0.00 0.00 173.24 173.46 3gps s PRO 86 N 1.27 0.67 0.51 5.44 0.04 -1.26 -4.95 135.00 136.72 3gps s PRO 86 Ca 0.25 -0.25 0.22 0.00 0.04 0.00 0.00 61.00 61.26 3gps s PRO 86 Cb -0.15 -1.83 1.34 0.00 0.04 0.00 0.00 34.50 33.90 3gps s PRO 86 CO 0.10 -2.42 2.09 0.00 0.04 0.00 0.00 177.00 176.81 3gps h MET 87 N -1.65 0.00 -2.47 4.56 -0.00 -1.33 -3.45 114.93 110.59 3gps h MET 87 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 3gps h MET 87 Cb 1.26 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.71 3gps h MET 87 CO 0.43 0.10 0.29 -1.58 -0.00 0.00 0.00 176.91 176.15 3gps s HIS 88 N -4.56 -0.52 -0.32 -0.10 5.65 -1.26 -5.05 115.29 109.13 3gps s HIS 88 Ca -0.04 0.55 0.27 0.00 0.25 0.00 0.00 55.06 56.09 3gps s HIS 88 Cb 0.15 0.51 1.09 0.00 -1.18 0.00 0.00 32.58 33.14 3gps s HIS 88 CO 0.63 -0.68 1.79 1.05 -0.65 0.00 0.00 174.74 176.88 3gps h GLU 89 N 2.32 0.00 -4.96 2.88 4.11 -1.93 -3.41 114.58 113.58 3gps h GLU 89 Ca -0.29 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.84 3gps h GLU 89 Cb 1.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 3gps h GLU 89 CO 0.36 0.00 -0.71 -1.01 0.07 0.00 0.00 179.01 177.72 3gps s HIS 90 N -3.41 1.14 -0.23 2.06 3.76 -1.26 -1.81 115.29 115.55 3gps s HIS 90 Ca 0.04 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.10 3gps s HIS 90 Cb 0.09 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 3gps s HIS 90 CO 0.44 0.02 0.06 0.00 -0.85 0.00 0.00 174.74 174.41 3gps s ALA 91 N -3.24 3.21 0.10 -1.40 0.00 -0.34 -4.87 121.76 115.22 3gps s ALA 91 Ca 0.14 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.17 3gps s ALA 91 Cb 0.02 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3gps s ALA 91 CO -0.01 -0.29 -0.25 -1.21 0.00 0.00 0.00 175.76 174.00 3gps s GLU 92 N 1.25 1.42 -0.01 0.00 2.02 -1.26 -0.19 118.70 121.93 3gps s GLU 92 Ca 0.05 -1.24 0.02 0.00 0.02 0.00 0.00 54.97 53.82 3gps s GLU 92 Cb -0.15 -1.78 -0.00 0.00 0.10 0.00 0.00 34.13 32.30 3gps s GLU 92 CO 0.03 0.43 -0.06 0.14 0.02 0.00 0.00 175.26 175.82 3gps s VAL 93 N -1.01 0.51 -0.10 2.63 -7.23 0.68 -4.98 120.40 110.90 3gps s VAL 93 Ca 0.12 -0.27 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 3gps s VAL 93 Cb -0.10 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.39 3gps s VAL 93 CO 0.05 0.15 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.13 3gps s VAL 94 N -0.14 2.78 0.03 1.32 1.01 -1.26 -0.10 120.40 124.04 3gps s VAL 94 Ca 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3gps s VAL 94 Cb -0.03 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3gps s VAL 94 CO -0.00 0.55 -0.07 0.72 0.00 0.00 0.00 175.10 176.29 3gps s PHE 95 N 0.07 0.63 -0.26 5.22 -0.12 0.11 -4.99 117.98 118.64 3gps s PHE 95 Ca -0.07 -0.42 -0.13 0.00 -0.05 0.00 0.00 56.93 56.26 3gps s PHE 95 Cb -0.15 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 3gps s PHE 95 CO 0.05 -0.07 0.28 0.99 -0.05 0.00 0.00 175.22 176.41 3gps s THR 96 N -1.15 5.26 0.23 -4.49 2.01 -1.26 -0.70 115.64 115.53 3gps s THR 96 Ca -0.08 0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.37 3gps s THR 96 Cb -0.09 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 3gps s THR 96 CO 0.00 0.24 0.18 0.00 -0.69 0.00 0.00 174.62 174.35 3gps s ALA 97 N 1.68 3.59 -0.82 7.40 0.00 0.16 -4.74 121.76 129.03 3gps s ALA 97 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3gps s ALA 97 Cb -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3gps s ALA 97 CO 0.09 0.32 0.00 0.09 0.00 0.00 0.00 175.76 176.26 3gps n ASN 98 N -0.94 -2.48 0.00 0.00 3.02 -1.26 -3.56 115.26 110.03 3gps n ASN 98 Ca -0.08 0.24 0.13 0.00 -0.03 0.00 0.00 54.58 54.84 3gps n ASN 98 Cb 0.57 -2.36 0.62 0.00 -0.61 0.00 0.00 39.78 38.00 3gps n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gps n ASP 99 N -0.61 0.00 -0.63 6.41 5.75 -1.26 -2.24 116.55 123.96 3gps n ASP 99 Ca -0.09 0.26 0.06 0.00 -0.01 0.00 0.00 54.79 55.01 3gps n ASP 99 Cb 0.39 -0.42 0.16 0.00 -1.03 0.00 0.00 41.12 40.22 3gps n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3gps n SER 100 N -1.42 1.65 0.00 -1.12 7.64 -1.26 -5.11 113.62 114.01 3gps n SER 100 Ca 0.09 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.55 3gps n SER 100 Cb 0.28 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3gps n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gps n GLY 101 N -0.90 -0.12 3.71 0.23 0.00 -0.95 -5.08 105.19 102.08 3gps n GLY 101 Ca 0.16 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3gps n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gps s PRO 102 N 0.00 4.50 -0.19 1.61 0.04 -1.26 -4.33 135.00 135.36 3gps s PRO 102 Ca 0.00 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 3gps s PRO 102 Cb 0.00 -3.42 0.05 0.00 0.04 0.00 0.00 34.50 31.17 3gps s PRO 102 CO 0.00 -0.15 0.56 1.03 0.04 0.00 0.00 177.00 178.48 3gps s ARG 103 N 1.12 0.69 0.01 4.56 1.81 -1.26 -4.77 118.95 121.10 3gps s ARG 103 Ca 0.55 0.71 -0.17 0.00 -1.72 0.00 0.00 55.73 55.10 3gps s ARG 103 Cb -0.24 0.33 -0.06 0.00 -0.45 0.00 0.00 34.95 34.53 3gps s ARG 103 CO 0.28 -0.10 0.47 1.03 -0.68 0.00 0.00 175.30 176.30 3gps s ARG 104 N 0.14 4.07 -0.11 3.54 0.52 0.21 -4.90 118.95 122.42 3gps s ARG 104 Ca -0.01 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.74 3gps s ARG 104 Cb -0.04 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 3gps s ARG 104 CO 0.02 0.60 -0.20 0.71 0.02 0.00 0.00 175.30 176.45 3gps s TYR 105 N -0.85 2.65 -0.18 -0.53 2.02 0.57 -1.21 117.35 119.82 3gps s TYR 105 Ca 0.26 -0.91 -0.02 0.00 -0.37 0.00 0.00 57.07 56.03 3gps s TYR 105 Cb -0.17 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3gps s TYR 105 CO 0.15 -0.35 -0.09 0.99 -1.57 0.00 0.00 175.55 174.68 3gps s THR 106 N 0.35 3.10 -0.33 -0.71 2.01 -0.26 -1.19 115.64 118.60 3gps s THR 106 Ca -0.16 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 3gps s THR 106 Cb -0.17 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 3gps s THR 106 CO 0.08 0.48 0.19 -0.63 -0.69 0.00 0.00 174.62 174.04 3gps s ILE 107 N 1.03 4.80 -0.23 1.82 -1.09 0.26 -0.80 121.20 127.00 3gps s ILE 107 Ca -0.00 -0.44 -0.06 0.00 -2.23 0.00 0.00 60.65 57.91 3gps s ILE 107 Cb -0.15 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3gps s ILE 107 CO -0.01 -0.01 0.04 0.00 -1.23 0.00 0.00 174.94 173.73 3gps s ALA 108 N 1.64 3.12 -0.16 9.38 0.00 -0.49 -0.65 121.76 134.59 3gps s ALA 108 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.96 3gps s ALA 108 Cb -0.18 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.01 3gps s ALA 108 CO 0.08 -0.33 -0.20 0.00 0.00 0.00 0.00 175.76 175.31 3gps s ALA 109 N 1.32 2.21 -0.38 0.00 0.00 -0.09 -0.78 121.76 124.05 3gps s ALA 109 Ca 0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 3gps s ALA 109 Cb -0.15 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.91 3gps s ALA 109 CO 0.02 -0.22 0.24 -1.64 0.00 0.00 0.00 175.76 174.17 3gps s MET 110 N 1.12 2.99 -0.14 0.00 -1.94 0.41 -0.66 119.30 121.08 3gps s MET 110 Ca -0.00 -0.99 -0.03 0.00 -1.71 0.00 0.00 55.69 52.96 3gps s MET 110 Cb -0.14 -3.83 -0.03 0.00 2.01 0.00 0.00 34.83 32.84 3gps s MET 110 CO -0.08 -0.68 -0.04 -0.51 -0.01 0.00 0.00 175.02 173.70 3gps s LEU 111 N 1.63 3.25 0.21 -0.03 1.43 -0.17 -2.01 118.68 122.99 3gps s LEU 111 Ca 0.04 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 3gps s LEU 111 Cb -0.19 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3gps s LEU 111 CO 0.08 0.21 -0.12 -0.44 0.23 0.00 0.00 176.35 176.32 3gps s SER 112 N 0.10 2.46 0.32 2.29 0.01 -0.16 -1.09 113.70 117.63 3gps s SER 112 Ca -0.01 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.27 3gps s SER 112 Cb -0.14 -0.12 0.78 0.00 0.21 0.00 0.00 66.02 66.75 3gps s SER 112 CO 0.03 -0.24 1.80 -0.65 0.41 0.00 0.00 173.24 174.59 3gps h PRO 113 N 2.53 0.71 -0.02 12.44 0.11 -1.98 -3.00 132.00 142.80 3gps h PRO 113 Ca -0.38 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gps h PRO 113 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gps h PRO 113 CO 0.63 0.47 -0.02 0.66 -0.21 0.00 0.00 178.00 179.53 3gps n TYR 114 N -4.69 0.07 -3.63 0.65 4.01 -1.26 -0.81 117.16 111.50 3gps n TYR 114 Ca 0.22 -1.02 -0.13 0.00 -0.16 0.00 0.00 57.90 56.81 3gps n TYR 114 Cb 0.56 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 3gps n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gps s SER 115 N -2.83 -0.72 0.06 7.72 0.15 -1.13 -5.00 113.70 111.95 3gps s SER 115 Ca 0.33 1.37 -0.10 0.00 0.70 0.00 0.00 55.95 58.25 3gps s SER 115 Cb 0.29 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 3gps s SER 115 CO 0.03 -0.23 0.21 -0.72 1.20 0.00 0.00 173.24 173.72 3gps s TYR 116 N 0.45 0.06 -0.16 3.44 -0.85 -1.26 -0.99 117.35 118.04 3gps s TYR 116 Ca -0.00 -0.34 0.01 0.00 -0.52 0.00 0.00 57.07 56.22 3gps s TYR 116 Cb -0.05 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.27 3gps s TYR 116 CO -0.02 -0.47 -0.16 -1.12 -1.52 0.00 0.00 175.55 172.26 3gps s SER 117 N -2.32 3.55 0.04 -0.18 0.01 -0.85 -4.99 113.70 108.97 3gps s SER 117 Ca -0.02 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 56.83 3gps s SER 117 Cb 0.01 -1.54 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 3gps s SER 117 CO -0.06 0.08 -0.26 0.42 0.41 0.00 0.00 173.24 173.83 3gps s THR 118 N 0.87 2.08 -0.00 1.44 -4.23 -1.26 -0.45 115.64 114.09 3gps s THR 118 Ca -0.05 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 3gps s THR 118 Cb -0.15 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 3gps s THR 118 CO -0.01 0.35 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.51 3gps s THR 119 N -0.80 0.17 -0.36 3.99 2.01 0.04 -5.00 115.64 115.69 3gps s THR 119 Ca 0.11 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 3gps s THR 119 Cb -0.10 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 3gps s THR 119 CO 0.02 0.05 0.23 0.00 -0.69 0.00 0.00 174.62 174.24 3gps s ALA 120 N -0.00 3.43 -0.36 7.40 0.00 -1.26 -1.40 121.76 129.56 3gps s ALA 120 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 3gps s ALA 120 Cb -0.01 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 3gps s ALA 120 CO -0.00 -1.14 0.25 0.08 0.00 0.00 0.00 175.76 174.95 3gps s VAL 121 N 1.67 5.23 -0.22 0.00 1.01 0.02 -4.95 120.40 123.16 3gps s VAL 121 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3gps s VAL 121 Cb -0.18 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3gps s VAL 121 CO 0.09 -0.09 -0.13 -0.69 0.00 0.00 0.00 175.10 174.27 3gps s VAL 122 N 1.70 2.40 0.30 2.92 1.01 -1.26 -1.10 120.40 126.36 3gps s VAL 122 Ca 0.06 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.06 3gps s VAL 122 Cb -0.18 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 3gps s VAL 122 CO 0.10 0.34 -0.10 0.42 0.00 0.00 0.00 175.10 175.86 3gps s THR 123 N 1.28 1.96 -0.80 3.92 -4.23 -0.35 -4.96 115.64 112.46 3gps s THR 123 Ca 0.01 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 3gps s THR 123 Cb -0.15 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3gps s THR 123 CO -0.09 -0.30 0.20 -3.20 -0.54 0.00 0.00 174.62 170.69