#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 0.26 -3.37 0.00 0.13 -1.89 -3.41 132.00 123.72 3gps h PRO 11 Ca 0.00 -0.14 -0.36 0.00 -0.87 0.00 0.00 66.00 64.64 3gps h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 3gps h PRO 11 CO 0.00 0.66 -0.74 -1.17 -0.23 0.00 0.00 178.00 176.52 3gps s LEU 12 N -8.21 0.36 0.01 1.56 2.96 -1.26 -0.63 118.68 113.47 3gps s LEU 12 Ca -0.05 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3gps s LEU 12 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 3gps s LEU 12 CO 0.78 -0.22 -0.16 -0.32 -1.32 0.00 0.00 176.35 175.11 3gps s MET 13 N 1.93 1.19 -0.07 1.98 -2.45 0.05 -4.30 119.30 117.63 3gps s MET 13 Ca 0.02 -0.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.81 3gps s MET 13 Cb -0.12 -1.19 -0.00 0.00 1.25 0.00 0.00 34.83 34.76 3gps s MET 13 CO -0.03 0.31 -0.20 0.08 1.05 0.00 0.00 175.02 176.23 3gps s VAL 14 N -0.59 1.72 -0.07 10.11 1.01 -1.02 -0.71 120.40 130.85 3gps s VAL 14 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3gps s VAL 14 Cb -0.07 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.84 3gps s VAL 14 CO 0.00 0.49 -0.10 -0.75 0.00 0.00 0.00 175.10 174.74 3gps s LYS 15 N 0.20 1.49 -0.13 2.72 2.20 -0.18 -0.40 119.74 125.64 3gps s LYS 15 Ca -0.10 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.22 3gps s LYS 15 Cb -0.15 -1.33 0.01 0.00 -1.51 0.00 0.00 37.83 34.85 3gps s LYS 15 CO 0.05 -0.06 -0.21 0.08 -0.36 0.00 0.00 175.35 174.86 3gps s VAL 16 N 0.94 1.94 -0.04 4.02 1.01 0.71 -0.71 120.40 128.27 3gps s VAL 16 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3gps s VAL 16 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3gps s VAL 16 CO 0.01 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.70 3gps s LEU 17 N 0.80 2.54 -0.50 3.92 2.01 -0.29 -1.15 118.68 126.01 3gps s LEU 17 Ca -0.08 -0.28 -0.23 0.00 0.01 0.00 0.00 54.13 53.55 3gps s LEU 17 Cb -0.16 -1.49 0.04 0.00 0.01 0.00 0.00 46.19 44.59 3gps s LEU 17 CO -0.01 0.33 0.83 -0.62 1.01 0.00 0.00 176.35 177.89 3gps s ASP 18 N -0.73 6.35 0.27 2.29 -1.08 0.10 -0.87 116.67 122.99 3gps s ASP 18 Ca 0.11 -0.36 0.26 0.00 -0.52 0.00 0.00 52.55 52.04 3gps s ASP 18 Cb -0.10 -2.39 0.75 0.00 -1.46 0.00 0.00 42.92 39.72 3gps s ASP 18 CO 0.00 -1.05 1.75 0.00 0.52 0.00 0.00 175.17 176.39 3gps h ALA 19 N 9.13 1.00 0.01 3.66 0.00 -1.24 -1.83 119.26 129.99 3gps h ALA 19 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3gps h ALA 19 Cb 1.08 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3gps h ALA 19 CO 1.02 0.00 -0.45 0.28 0.00 0.00 0.00 179.25 180.10 3gps h VAL 20 N 0.00 1.50 0.00 0.00 2.07 -1.92 -3.37 116.25 114.53 3gps h VAL 20 Ca 0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3gps h VAL 20 Cb 0.75 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 3gps h VAL 20 CO 0.00 0.59 -1.23 0.54 0.02 0.00 0.00 177.57 177.49 3gps n ARG 21 N -4.35 0.32 -2.65 1.57 1.74 -1.23 -5.01 116.66 107.05 3gps n ARG 21 Ca -0.10 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 3gps n ARG 21 Cb 0.61 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.61 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 1.44 -0.01 3.30 -0.13 0.00 -0.70 -5.06 105.19 104.03 3gps n GLY 22 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3gps n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gps s SER 23 N -3.58 -0.06 0.42 1.61 1.04 -1.15 -5.03 113.70 106.94 3gps s SER 23 Ca 0.06 -0.55 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 3gps s SER 23 Cb -0.01 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 3gps s SER 23 CO 0.37 -0.84 1.37 -0.81 0.98 0.00 0.00 173.24 174.32 3gps n PRO 24 N -0.18 2.19 -2.85 4.02 -0.04 -1.26 -0.72 135.00 136.15 3gps n PRO 24 Ca -0.14 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.67 3gps n PRO 24 Cb 0.63 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 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 -1.17 3.37 -0.08 0.55 0.00 -0.30 -4.62 121.76 119.50 3gps s ALA 25 Ca 0.59 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 3gps s ALA 25 Cb -0.49 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 3gps s ALA 25 CO 0.59 -1.69 0.07 0.42 0.00 0.00 0.00 175.76 175.15 3gps s ILE 26 N 3.45 4.85 -1.49 0.00 1.01 -1.26 -4.16 121.20 123.60 3gps s ILE 26 Ca 0.36 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 3gps s ILE 26 Cb -0.12 -3.11 0.07 0.00 0.01 0.00 0.00 42.46 39.32 3gps s ILE 26 CO 0.20 0.56 0.88 -3.20 0.00 0.00 0.00 174.94 173.38 3gps n ASN 27 N 1.89 -4.93 -4.86 3.58 5.15 0.20 -4.92 115.26 111.37 3gps n ASN 27 Ca -0.18 -0.64 -0.37 0.00 -0.60 0.00 0.00 54.58 52.79 3gps n ASN 27 Cb 0.54 -3.95 -0.06 0.00 -0.53 0.00 0.00 39.78 35.78 3gps n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3gps s VAL 28 N -3.22 5.28 0.09 3.44 1.01 -1.26 -4.75 120.40 120.99 3gps s VAL 28 Ca 0.58 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 3gps s VAL 28 Cb -0.29 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3gps s VAL 28 CO 0.71 0.60 1.07 0.00 0.00 0.00 0.00 175.10 177.48 3gps s ALA 29 N -1.04 3.29 -0.10 5.51 0.00 -1.26 -1.04 121.76 127.12 3gps s ALA 29 Ca 0.19 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.87 3gps s ALA 29 Cb -0.14 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3gps s ALA 29 CO 0.08 -0.23 -0.15 0.08 0.00 0.00 0.00 175.76 175.54 3gps s VAL 30 N 0.46 1.44 -0.09 0.00 1.01 -0.41 -0.94 120.40 121.87 3gps s VAL 30 Ca 0.52 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3gps s VAL 30 Cb -0.26 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3gps s VAL 30 CO 0.31 0.43 -0.20 -1.00 0.00 0.00 0.00 175.10 174.63 3gps s HIS 31 N 0.90 2.61 -0.09 5.22 3.76 -0.11 -1.66 115.29 125.93 3gps s HIS 31 Ca -0.09 -0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 54.04 3gps s HIS 31 Cb -0.15 -1.71 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3gps s HIS 31 CO 0.00 -0.26 -0.03 0.08 -0.85 0.00 0.00 174.74 173.68 3gps s VAL 32 N 0.12 4.02 0.18 -0.90 1.01 0.72 -0.72 120.40 124.83 3gps s VAL 32 Ca -0.10 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3gps s VAL 32 Cb -0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3gps s VAL 32 CO 0.06 0.59 -0.16 -0.36 0.00 0.00 0.00 175.10 175.23 3gps s PHE 33 N -0.70 1.74 -0.04 5.22 0.08 -0.07 -0.72 117.98 123.49 3gps s PHE 33 Ca 0.11 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.69 3gps s PHE 33 Cb -0.12 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 3gps s PHE 33 CO 0.02 0.34 -0.20 0.50 -0.10 0.00 0.00 175.22 175.78 3gps s ARG 34 N -3.22 1.91 -0.20 0.44 3.52 0.02 -0.81 118.95 120.62 3gps s ARG 34 Ca 0.19 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 54.79 3gps s ARG 34 Cb -0.03 -1.69 -0.02 0.00 -1.56 0.00 0.00 34.95 31.65 3gps s ARG 34 CO 0.07 0.32 1.43 0.21 -0.81 0.00 0.00 175.30 176.52 3gps s LYS 35 N -0.14 4.01 0.74 5.12 2.20 0.26 -1.11 119.74 130.81 3gps s LYS 35 Ca -0.01 1.61 -0.02 0.00 -0.36 0.00 0.00 55.97 57.20 3gps s LYS 35 Cb -0.11 -3.91 0.13 0.00 -1.51 0.00 0.00 37.83 32.43 3gps s LYS 35 CO 0.02 -1.02 1.02 0.00 -0.36 0.00 0.00 175.35 175.01 3gps s ALA 36 N 4.32 3.60 0.22 3.13 0.00 0.53 -4.73 121.76 128.83 3gps s ALA 36 Ca 0.63 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 3gps s ALA 36 Cb -0.23 -2.06 0.33 0.00 0.00 0.00 0.00 23.12 21.16 3gps s ALA 36 CO 0.23 -1.52 1.69 0.00 0.00 0.00 0.00 175.76 176.16 3gps h ALA 37 N -0.60 0.73 -0.25 0.00 0.00 -1.93 -1.70 119.26 115.50 3gps h ALA 37 Ca -0.37 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3gps h ALA 37 Cb 1.27 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3gps h ALA 37 CO 0.40 -0.34 0.03 -0.40 0.00 0.00 0.00 179.25 178.94 3gps n ASP 38 N -5.18 2.98 -0.11 0.00 5.68 -1.26 -4.84 116.55 113.82 3gps n ASP 38 Ca 0.10 -2.41 -0.01 0.00 -0.50 0.00 0.00 54.79 51.97 3gps n ASP 38 Cb 0.36 -0.58 -0.01 0.00 -1.14 0.00 0.00 41.12 39.75 3gps n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gps n ASP 39 N 0.21 -5.07 -4.93 -1.12 9.92 -0.64 -5.00 116.55 109.91 3gps n ASP 39 Ca 0.13 0.04 -0.25 0.00 -0.53 0.00 0.00 54.79 54.18 3gps n ASP 39 Cb 0.67 -2.70 0.01 0.00 -0.64 0.00 0.00 41.12 38.47 3gps n ASP 39 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3gps s THR 40 N -1.42 4.09 -0.39 -3.53 -1.32 -1.26 -4.79 115.64 107.02 3gps s THR 40 Ca 0.00 -0.25 -0.23 0.00 -1.21 0.00 0.00 61.69 60.00 3gps s THR 40 Cb 0.00 -3.55 0.01 0.00 -1.51 0.00 0.00 72.50 67.45 3gps s THR 40 CO 0.00 -0.46 0.80 0.26 -2.21 0.00 0.00 174.62 173.01 3gps s TRP 41 N -2.70 3.07 -0.03 9.09 0.52 -1.26 -0.35 118.94 127.29 3gps s TRP 41 Ca 0.49 0.46 -0.14 0.00 0.02 0.00 0.00 56.10 56.93 3gps s TRP 41 Cb -0.10 -3.51 -0.05 0.00 -1.15 0.00 0.00 33.47 28.66 3gps s TRP 41 CO 0.41 -0.82 0.37 -1.83 0.02 0.00 0.00 176.95 175.10 3gps s GLU 42 N 3.20 3.88 0.25 4.98 -1.05 -0.27 -4.86 118.70 124.82 3gps s GLU 42 Ca 0.32 0.33 -0.31 0.00 -0.15 0.00 0.00 54.97 55.15 3gps s GLU 42 Cb -0.13 -3.23 -0.13 0.00 -0.44 0.00 0.00 34.13 30.20 3gps s GLU 42 CO 0.19 0.67 1.49 -2.30 0.95 0.00 0.00 175.26 176.26 3gps n PRO 43 N 1.98 2.29 0.00 -4.83 -0.02 -1.26 -0.79 135.00 132.36 3gps n PRO 43 Ca -0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3gps n PRO 43 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.16 0.00 -3.62 6.00 7.35 0.10 -4.80 117.46 124.65 3gps n PHE 44 Ca 0.11 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 3gps n PHE 44 Cb 0.33 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.13 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 -1.57 -2.12 0.17 3.13 0.00 -0.97 -4.99 121.76 115.42 3gps s ALA 45 Ca 0.00 1.77 -0.20 0.00 0.00 0.00 0.00 51.96 53.54 3gps s ALA 45 Cb 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.58 3gps s ALA 45 CO 0.00 -0.48 0.54 -1.54 0.00 0.00 0.00 175.76 174.29 3gps s SER 46 N -1.78 -0.38 -0.01 0.00 1.04 -1.26 -0.20 113.70 111.11 3gps s SER 46 Ca 0.09 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.17 3gps s SER 46 Cb -0.01 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3gps s SER 46 CO -0.04 -1.00 0.40 0.61 0.98 0.00 0.00 173.24 174.18 3gps n GLY 47 N -0.34 0.49 3.12 7.32 0.00 -0.66 -4.97 105.19 110.15 3gps n GLY 47 Ca -0.14 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 1.11 0.57 1.61 1.02 -1.26 -1.29 119.74 119.50 3gps s LYS 48 Ca 0.09 -0.58 -0.21 0.00 0.02 0.00 0.00 55.97 55.30 3gps s LYS 48 Cb -0.00 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 3gps s LYS 48 CO -0.00 0.29 1.34 0.95 -0.92 0.00 0.00 175.35 177.01 3gps s THR 49 N -0.46 2.08 0.89 2.17 -4.23 -0.21 -4.78 115.64 111.10 3gps s THR 49 Ca 0.05 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 3gps s THR 49 Cb -0.06 -3.03 0.20 0.00 1.34 0.00 0.00 72.50 70.95 3gps s THR 49 CO -0.00 -0.00 1.21 -1.54 -0.54 0.00 0.00 174.62 173.75 3gps n SER 50 N -1.28 0.22 0.27 3.99 3.41 0.44 -0.63 113.62 120.05 3gps n SER 50 Ca 0.12 -1.52 0.18 0.00 -0.26 0.00 0.00 58.87 57.39 3gps n SER 50 Cb 0.46 -0.92 0.94 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.20 4.33 5.08 -1.92 -1.46 114.58 120.42 3gps h GLU 51 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3gps h GLU 51 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gps h GLU 51 CO 0.29 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.17 3gps n SER 52 N -3.48 1.66 -0.04 1.42 3.41 -1.26 -4.80 113.62 110.53 3gps n SER 52 Ca -0.01 -1.75 -0.01 0.00 -0.26 0.00 0.00 58.87 56.84 3gps n SER 52 Cb 0.23 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.11 0.47 3.70 5.00 0.00 -0.55 -4.81 105.19 110.12 3gps n GLY 53 Ca 0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.68 2.60 -0.25 1.61 2.02 -1.26 -0.21 118.70 122.54 3gps s GLU 54 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 3gps s GLU 54 Cb 0.00 -2.56 0.08 0.00 0.10 0.00 0.00 34.13 31.75 3gps s GLU 54 CO 0.00 0.53 0.06 -1.17 0.02 0.00 0.00 175.26 174.71 3gps s LEU 55 N -2.40 1.58 0.37 1.80 2.96 0.46 -0.42 118.68 123.04 3gps s LEU 55 Ca 0.27 -1.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.07 3gps s LEU 55 Cb -0.12 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 3gps s LEU 55 CO 0.19 -0.35 0.34 -1.00 -1.32 0.00 0.00 176.35 174.20 3gps s HIS 56 N 1.77 2.82 -0.37 5.38 3.76 -1.26 -2.44 115.29 124.95 3gps s HIS 56 Ca 0.04 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3gps s HIS 56 Cb -0.17 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3gps s HIS 56 CO -0.17 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 3gps n GLY 57 N -1.46 0.65 0.28 -2.22 0.00 -1.26 -4.93 105.19 96.25 3gps n GLY 57 Ca 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 0.80 0.00 0.99 3.38 -1.85 -3.47 115.31 115.16 3gps h LEU 58 Ca -0.07 -0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.48 3gps h LEU 58 Cb 0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3gps h LEU 58 CO 0.10 0.91 -0.02 1.07 0.09 0.00 0.00 178.44 180.59 3gps n THR 59 N -4.18 0.00 -4.35 0.22 5.66 -1.26 -4.76 114.28 105.61 3gps n THR 59 Ca 0.02 -1.49 -0.23 0.00 -3.05 0.00 0.00 64.05 59.30 3gps n THR 59 Cb 0.35 1.03 -0.12 0.00 -1.55 0.00 0.00 70.33 70.04 3gps n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3gps s THR 60 N -2.60 1.94 0.34 1.09 -4.23 -1.26 -4.61 115.64 106.31 3gps s THR 60 Ca 0.24 -1.89 0.13 0.00 -1.18 0.00 0.00 61.69 58.99 3gps s THR 60 Cb -0.02 -1.87 0.33 0.00 1.34 0.00 0.00 72.50 72.28 3gps s THR 60 CO 0.17 -0.22 1.73 -0.08 -0.54 0.00 0.00 174.62 175.68 3gps h GLU 61 N 3.37 0.48 0.00 3.99 4.81 -1.99 -1.20 114.58 124.03 3gps h GLU 61 Ca -0.44 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 3gps h GLU 61 Cb 1.20 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3gps h GLU 61 CO 0.48 0.32 -0.21 1.49 -0.73 0.00 0.00 179.01 180.36 3gps h GLU 62 N 0.50 0.00 0.07 1.92 4.81 -2.04 -3.10 114.58 116.74 3gps h GLU 62 Ca 0.65 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.61 3gps h GLU 62 Cb 1.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 3gps h GLU 62 CO -0.46 0.17 -1.33 1.49 -0.73 0.00 0.00 179.01 178.16 3gps h GLU 63 N 0.00 0.15 -3.96 1.92 4.81 -1.69 -3.42 114.58 112.40 3gps h GLU 63 Ca -0.00 -0.25 -0.74 0.00 -0.13 0.00 0.00 59.36 58.23 3gps h GLU 63 Cb 1.14 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.47 3gps h GLU 63 CO 0.02 1.02 2.02 0.34 -0.73 0.00 0.00 179.01 181.69 3gps n PHE 64 N -3.39 3.55 -1.91 0.92 7.35 -0.56 -4.97 117.46 118.45 3gps n PHE 64 Ca -0.10 -2.94 -0.29 0.00 -0.76 0.00 0.00 57.45 53.36 3gps n PHE 64 Cb 1.01 -2.11 0.07 0.00 0.35 0.00 0.00 39.48 38.80 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 1.18 2.76 0.47 -2.13 -7.23 -1.26 -4.96 120.40 109.23 3gps s VAL 65 Ca 0.42 0.23 -0.23 0.00 -1.81 0.00 0.00 61.98 60.59 3gps s VAL 65 Cb 0.07 -3.24 -0.09 0.00 0.56 0.00 0.00 36.38 33.68 3gps s VAL 65 CO -0.00 -0.32 1.05 -0.62 -0.31 0.00 0.00 175.10 174.90 3gps n GLU 66 N -3.15 1.35 -3.83 4.82 1.02 -1.26 -4.88 120.64 114.70 3gps n GLU 66 Ca 0.07 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3gps n GLU 66 Cb 0.59 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3gps n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gps n GLY 67 N 1.13 -1.23 3.42 0.62 0.00 -1.23 -4.99 105.19 102.91 3gps n GLY 67 Ca 0.10 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.00 3.67 -0.01 -0.61 1.01 -1.26 -0.18 121.20 120.82 3gps s ILE 68 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.31 3gps s ILE 68 Cb 0.00 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3gps s ILE 68 CO 0.00 0.46 -0.26 -0.31 0.00 0.00 0.00 174.94 174.83 3gps s TYR 69 N 0.84 2.34 -0.11 3.97 2.02 -0.42 -0.58 117.35 125.42 3gps s TYR 69 Ca -0.01 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 3gps s TYR 69 Cb -0.15 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 3gps s TYR 69 CO 0.02 -0.00 -0.23 0.21 -1.57 0.00 0.00 175.55 173.97 3gps s LYS 70 N -0.73 3.06 -0.25 -0.62 2.20 0.01 -1.11 119.74 122.30 3gps s LYS 70 Ca 0.10 -0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 54.78 3gps s LYS 70 Cb -0.10 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 3gps s LYS 70 CO -0.00 0.15 0.06 0.08 -0.36 0.00 0.00 175.35 175.27 3gps s VAL 71 N 0.43 4.13 -0.22 4.02 1.01 0.32 -0.89 120.40 129.20 3gps s VAL 71 Ca -0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3gps s VAL 71 Cb -0.17 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3gps s VAL 71 CO 0.07 0.32 -0.07 -0.70 0.00 0.00 0.00 175.10 174.72 3gps s GLU 72 N 1.58 3.18 -0.18 2.72 2.12 0.10 -0.61 118.70 127.61 3gps s GLU 72 Ca 0.06 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.59 3gps s GLU 72 Cb -0.15 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3gps s GLU 72 CO 0.02 -0.25 -0.00 0.42 -0.54 0.00 0.00 175.26 174.91 3gps s ILE 73 N 1.41 4.06 -0.21 -3.70 1.01 0.44 -0.93 121.20 123.29 3gps s ILE 73 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3gps s ILE 73 Cb -0.15 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.51 3gps s ILE 73 CO -0.05 0.45 1.02 -1.81 0.00 0.00 0.00 174.94 174.56 3gps s ASP 74 N 0.69 7.11 -0.04 3.58 1.11 -0.11 -0.91 116.67 128.10 3gps s ASP 74 Ca -0.00 1.39 0.06 0.00 0.18 0.00 0.00 52.55 54.17 3gps s ASP 74 Cb -0.14 -2.54 0.09 0.00 1.07 0.00 0.00 42.92 41.40 3gps s ASP 74 CO 0.02 -0.62 0.96 0.35 1.18 0.00 0.00 175.17 177.05 3gps n THR 75 N 5.19 0.70 -0.10 -1.27 -2.24 -0.59 -4.63 114.28 111.34 3gps n THR 75 Ca 0.11 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 61.01 3gps n THR 75 Cb 0.47 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.23 0.00 -0.78 3.64 -1.74 -3.23 116.57 114.70 3gps h LYS 76 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gps h LYS 76 Cb 1.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3gps h LYS 76 CO 0.00 0.16 -0.00 0.43 -2.27 0.00 0.00 179.45 177.76 3gps n SER 77 N -5.04 2.01 0.04 4.20 7.64 -1.26 -4.74 113.62 116.48 3gps n SER 77 Ca 0.01 -2.21 -0.00 0.00 1.01 0.00 0.00 58.87 57.68 3gps n SER 77 Cb 0.13 -0.09 0.29 0.00 -1.01 0.00 0.00 64.21 63.53 3gps n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3gps h TYR 78 N 0.00 0.44 -0.52 1.43 3.20 -1.86 -2.09 116.97 117.57 3gps h TYR 78 Ca 0.00 -0.06 -0.31 0.00 3.14 0.00 0.00 58.73 61.49 3gps h TYR 78 Cb 0.63 -0.12 -0.19 0.00 1.54 0.00 0.00 36.73 38.58 3gps h TYR 78 CO 0.00 0.54 -0.07 0.91 -1.64 0.00 0.00 178.16 177.89 3gps n TRP 79 N -4.22 1.69 -0.19 -3.82 8.01 -1.26 -4.67 117.44 112.98 3gps n TRP 79 Ca 0.00 -1.89 0.07 0.00 -1.31 0.00 0.00 57.50 54.37 3gps n TRP 79 Cb 0.31 -0.60 0.35 0.00 -2.01 0.00 0.00 31.31 29.36 3gps n TRP 79 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 3gps h LYS 80 N 1.31 0.74 0.00 -0.99 2.10 -1.55 -2.70 116.57 115.47 3gps h LYS 80 Ca 0.31 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.88 3gps h LYS 80 Cb 1.61 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.76 3gps h LYS 80 CO 0.62 0.49 -0.17 0.00 -2.00 0.00 0.00 179.45 178.39 3gps h ALA 81 N 1.60 0.92 0.00 0.07 0.00 -1.83 -0.33 119.26 119.69 3gps h ALA 81 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gps h ALA 81 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gps h ALA 81 CO -0.11 0.21 0.00 1.25 0.00 0.00 0.00 179.25 180.60 3gps h LEU 82 N 0.00 0.00 0.11 0.00 5.85 -1.82 -3.47 115.31 115.98 3gps h LEU 82 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3gps h LEU 82 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3gps h LEU 82 CO 0.02 0.00 -0.03 0.61 -0.34 0.00 0.00 178.44 178.70 3gps n GLY 83 N 0.51 0.42 3.08 3.75 0.00 -0.14 -5.04 105.19 107.76 3gps n GLY 83 Ca 0.03 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.06 1.37 -0.14 -0.61 1.01 -1.14 -5.06 121.20 114.57 3gps s ILE 84 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 3gps s ILE 84 Cb 0.00 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 3gps s ILE 84 CO 0.00 0.41 0.33 -0.94 0.00 0.00 0.00 174.94 174.74 3gps s SER 85 N 0.55 6.50 0.96 3.58 1.04 -1.26 -4.26 113.70 120.80 3gps s SER 85 Ca -0.15 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 3gps s SER 85 Cb -0.16 -2.20 0.19 0.00 0.10 0.00 0.00 66.02 63.95 3gps s SER 85 CO 0.05 0.10 1.29 -2.16 0.98 0.00 0.00 173.24 173.50 3gps s PRO 86 N 0.38 0.68 0.59 4.02 0.04 -1.26 -4.93 135.00 134.52 3gps s PRO 86 Ca 0.19 -0.31 0.33 0.00 0.04 0.00 0.00 61.00 61.24 3gps s PRO 86 Cb -0.14 -1.84 1.86 0.00 0.04 0.00 0.00 34.50 34.42 3gps s PRO 86 CO 0.06 -2.41 2.23 0.00 0.04 0.00 0.00 177.00 176.92 3gps h MET 87 N -1.64 0.00 -1.85 4.56 -0.00 -1.43 -3.43 114.93 111.14 3gps h MET 87 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.24 3gps h MET 87 Cb 1.25 0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 32.64 3gps h MET 87 CO 0.41 0.03 0.30 -1.58 -0.00 0.00 0.00 176.91 176.08 3gps s HIS 88 N -4.37 -0.58 -0.58 -0.10 5.65 -1.26 -5.05 115.29 109.00 3gps s HIS 88 Ca -0.04 1.09 0.15 0.00 0.25 0.00 0.00 55.06 56.51 3gps s HIS 88 Cb 0.14 0.40 0.75 0.00 -1.18 0.00 0.00 32.58 32.69 3gps s HIS 88 CO 0.52 -0.48 1.47 -0.85 -0.65 0.00 0.00 174.74 174.76 3gps n GLU 89 N 1.16 0.10 -4.33 2.88 0.28 -1.26 -4.69 120.64 114.78 3gps n GLU 89 Ca -0.15 0.50 -0.17 0.00 -0.16 0.00 0.00 57.16 57.18 3gps n GLU 89 Cb 0.57 -1.76 -0.10 0.00 1.43 0.00 0.00 31.44 31.58 3gps n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3gps s HIS 90 N -3.28 1.57 -0.21 -1.84 3.76 -1.26 -1.55 115.29 112.48 3gps s HIS 90 Ca 0.01 -0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 54.12 3gps s HIS 90 Cb 0.06 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 3gps s HIS 90 CO 0.20 0.13 -0.06 0.00 -0.85 0.00 0.00 174.74 174.15 3gps s ALA 91 N -3.24 2.78 -0.08 -1.40 0.00 -0.09 -4.88 121.76 114.85 3gps s ALA 91 Ca 0.24 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3gps s ALA 91 Cb 0.03 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3gps s ALA 91 CO 0.07 -0.36 -0.07 -1.83 0.00 0.00 0.00 175.76 173.56 3gps s GLU 92 N 1.36 2.86 -0.07 0.00 4.04 -1.26 -0.42 118.70 125.21 3gps s GLU 92 Ca 0.04 -0.56 -0.00 0.00 0.04 0.00 0.00 54.97 54.49 3gps s GLU 92 Cb -0.14 -2.62 0.02 0.00 0.02 0.00 0.00 34.13 31.42 3gps s GLU 92 CO -0.03 0.60 -0.03 0.08 -1.84 0.00 0.00 175.26 174.04 3gps s VAL 93 N -0.64 0.57 -0.14 1.83 1.01 0.22 -4.98 120.40 118.28 3gps s VAL 93 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3gps s VAL 93 Cb -0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3gps s VAL 93 CO 0.02 0.27 0.04 -0.69 0.00 0.00 0.00 175.10 174.73 3gps s VAL 94 N 1.49 4.59 0.04 2.92 1.01 -1.26 -0.52 120.40 128.66 3gps s VAL 94 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3gps s VAL 94 Cb -0.13 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3gps s VAL 94 CO -0.03 0.53 -0.05 0.72 0.00 0.00 0.00 175.10 176.27 3gps s PHE 95 N -0.22 0.50 -0.37 5.22 -0.12 -0.27 -5.00 117.98 117.71 3gps s PHE 95 Ca 0.07 -0.64 -0.13 0.00 -0.05 0.00 0.00 56.93 56.18 3gps s PHE 95 Cb -0.12 -0.32 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 3gps s PHE 95 CO 0.02 -0.18 0.24 0.99 -0.05 0.00 0.00 175.22 176.24 3gps s THR 96 N -2.02 5.02 0.26 -4.49 2.01 -1.26 -1.30 115.64 113.86 3gps s THR 96 Ca -0.08 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 3gps s THR 96 Cb -0.06 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3gps s THR 96 CO -0.02 -0.15 0.81 0.00 -0.69 0.00 0.00 174.62 174.57 3gps s ALA 97 N 1.66 3.34 0.00 7.40 0.00 0.75 -4.39 121.76 130.51 3gps s ALA 97 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3gps s ALA 97 Cb -0.18 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3gps s ALA 97 CO 0.09 0.27 0.00 0.09 0.00 0.00 0.00 175.76 176.21 3gps n ASN 98 N 0.71 -0.24 0.05 0.00 5.03 -1.26 -3.50 115.26 116.05 3gps n ASN 98 Ca -0.01 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 3gps n ASN 98 Cb 0.51 -1.79 0.13 0.00 -1.02 0.00 0.00 39.78 37.61 3gps n ASN 98 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3gps n ASP 99 N -0.03 0.13 -1.40 6.41 3.85 -1.26 0.17 116.55 124.42 3gps n ASP 99 Ca 0.00 0.44 -0.10 0.00 -0.71 0.00 0.00 54.79 54.43 3gps n ASP 99 Cb 0.02 -0.44 0.10 0.00 -1.35 0.00 0.00 41.12 39.45 3gps n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3gps n SER 100 N -1.59 3.35 0.00 -1.12 7.64 -1.26 -5.12 113.62 115.51 3gps n SER 100 Ca -0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 3gps n SER 100 Cb 0.16 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.87 1.42 3.65 0.23 0.00 0.46 -5.03 105.19 105.06 3gps n GLY 101 Ca 0.31 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3gps n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gps s PRO 102 N -1.87 4.01 0.23 1.61 0.02 -1.26 -4.48 135.00 133.27 3gps s PRO 102 Ca 0.00 2.35 0.04 0.00 0.02 0.00 0.00 61.00 63.41 3gps s PRO 102 Cb 0.00 -4.13 -0.05 0.00 0.02 0.00 0.00 34.50 30.34 3gps s PRO 102 CO 0.00 -1.08 -0.02 1.03 -0.33 0.00 0.00 177.00 176.60 3gps s ARG 103 N 4.56 1.36 -0.22 5.54 1.81 -1.26 -4.87 118.95 125.87 3gps s ARG 103 Ca 0.84 -1.68 -0.06 0.00 -1.72 0.00 0.00 55.73 53.11 3gps s ARG 103 Cb -0.37 -0.71 -0.02 0.00 -0.45 0.00 0.00 34.95 33.39 3gps s ARG 103 CO 0.36 -0.06 0.02 1.03 -0.68 0.00 0.00 175.30 175.97 3gps s ARG 104 N -3.83 3.61 -0.17 3.54 0.52 -0.13 -4.86 118.95 117.62 3gps s ARG 104 Ca 0.28 -0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 54.91 3gps s ARG 104 Cb 0.05 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3gps s ARG 104 CO 0.09 -0.08 0.05 0.71 0.02 0.00 0.00 175.30 176.09 3gps s TYR 105 N 1.26 3.24 -0.16 -0.53 2.02 0.19 -1.32 117.35 122.06 3gps s TYR 105 Ca 0.04 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 3gps s TYR 105 Cb -0.15 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 3gps s TYR 105 CO 0.02 0.18 -0.20 0.99 -1.57 0.00 0.00 175.55 174.97 3gps s THR 106 N 0.25 1.98 -0.39 -0.71 2.01 0.17 -0.77 115.64 118.18 3gps s THR 106 Ca 0.03 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 3gps s THR 106 Cb -0.12 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.62 3gps s THR 106 CO 0.00 0.53 0.27 -0.63 -0.69 0.00 0.00 174.62 174.10 3gps s ILE 107 N 1.16 5.14 -0.25 1.82 -1.09 0.12 -0.50 121.20 127.60 3gps s ILE 107 Ca 0.01 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 57.75 3gps s ILE 107 Cb -0.14 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 3gps s ILE 107 CO -0.09 -0.22 0.13 0.00 -1.23 0.00 0.00 174.94 173.53 3gps s ALA 108 N 1.67 3.41 -0.09 9.38 0.00 -0.38 -1.01 121.76 134.74 3gps s ALA 108 Ca 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3gps s ALA 108 Cb -0.19 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.71 3gps s ALA 108 CO 0.09 -0.35 -0.16 0.00 0.00 0.00 0.00 175.76 175.34 3gps s ALA 109 N 1.37 1.66 -0.31 0.00 0.00 0.11 -0.95 121.76 123.63 3gps s ALA 109 Ca 0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3gps s ALA 109 Cb -0.15 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.27 3gps s ALA 109 CO 0.06 0.06 0.04 -1.64 0.00 0.00 0.00 175.76 174.28 3gps s MET 110 N 0.75 2.57 -0.12 0.00 -1.94 0.36 -1.13 119.30 119.79 3gps s MET 110 Ca -0.12 -1.19 -0.02 0.00 -1.71 0.00 0.00 55.69 52.65 3gps s MET 110 Cb -0.16 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.36 3gps s MET 110 CO 0.02 -0.62 -0.02 -0.51 -0.01 0.00 0.00 175.02 173.88 3gps s LEU 111 N 1.33 3.39 0.27 -0.03 1.43 -0.05 -1.96 118.68 123.06 3gps s LEU 111 Ca -0.03 0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3gps s LEU 111 Cb -0.19 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 3gps s LEU 111 CO 0.01 0.28 -0.07 -0.44 0.23 0.00 0.00 176.35 176.35 3gps s SER 112 N -0.28 2.74 0.44 2.29 0.01 -1.15 -0.78 113.70 116.96 3gps s SER 112 Ca 0.05 -1.17 0.11 0.00 1.31 0.00 0.00 55.95 56.26 3gps s SER 112 Cb -0.12 -0.16 0.99 0.00 0.21 0.00 0.00 66.02 66.93 3gps s SER 112 CO 0.02 -0.32 2.04 -0.65 0.41 0.00 0.00 173.24 174.75 3gps h PRO 113 N 2.31 0.40 0.00 12.44 0.11 -1.98 -3.19 132.00 142.09 3gps h PRO 113 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gps h PRO 113 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gps h PRO 113 CO 0.66 0.26 -0.14 0.66 -0.21 0.00 0.00 178.00 179.23 3gps n TYR 114 N -4.48 0.00 -4.01 0.65 4.01 -1.26 -1.00 117.16 111.06 3gps n TYR 114 Ca 0.05 -0.79 -0.12 0.00 -0.16 0.00 0.00 57.90 56.88 3gps n TYR 114 Cb 0.18 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 -2.46 0.45 -0.21 7.72 0.15 -1.21 -5.01 113.70 113.13 3gps s SER 115 Ca 0.25 -1.26 -0.32 0.00 0.70 0.00 0.00 55.95 55.32 3gps s SER 115 Cb 0.22 0.67 0.15 0.00 -1.71 0.00 0.00 66.02 65.36 3gps s SER 115 CO 0.02 -1.32 1.21 -0.72 1.20 0.00 0.00 173.24 173.63 3gps s TYR 116 N -3.22 -0.15 -0.08 3.44 -0.85 -1.26 -2.96 117.35 112.27 3gps s TYR 116 Ca 0.26 0.19 0.02 0.00 -0.52 0.00 0.00 57.07 57.01 3gps s TYR 116 Cb -0.01 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.84 3gps s TYR 116 CO 0.15 -0.18 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.75 3gps s SER 117 N -1.60 2.05 -0.02 -0.18 0.01 -0.83 -5.00 113.70 108.13 3gps s SER 117 Ca 0.07 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.01 3gps s SER 117 Cb -0.01 -0.93 -0.00 0.00 0.21 0.00 0.00 66.02 65.29 3gps s SER 117 CO -0.04 0.02 -0.11 0.42 0.41 0.00 0.00 173.24 173.94 3gps s THR 118 N 0.82 0.89 -0.04 1.44 -4.23 -1.26 -0.49 115.64 112.77 3gps s THR 118 Ca -0.11 -0.44 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 3gps s THR 118 Cb -0.15 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 72.92 3gps s THR 118 CO 0.02 0.27 -0.13 0.28 -0.54 0.00 0.00 174.62 174.52 3gps s THR 119 N 0.02 1.10 -0.26 3.99 -1.32 -0.13 -5.00 115.64 114.03 3gps s THR 119 Ca -0.01 -0.51 -0.11 0.00 -1.21 0.00 0.00 61.69 59.86 3gps s THR 119 Cb -0.07 -0.97 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 3gps s THR 119 CO 0.00 0.33 0.18 0.00 -2.21 0.00 0.00 174.62 172.92 3gps s ALA 120 N 0.30 3.56 -0.27 11.08 0.00 -1.26 -1.25 121.76 133.91 3gps s ALA 120 Ca -0.07 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 3gps s ALA 120 Cb -0.12 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 3gps s ALA 120 CO 0.02 -0.41 0.13 0.08 0.00 0.00 0.00 175.76 175.57 3gps s VAL 121 N 1.49 4.74 -0.14 0.00 1.01 0.35 -4.97 120.40 122.89 3gps s VAL 121 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3gps s VAL 121 Cb -0.15 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.97 3gps s VAL 121 CO 0.09 0.26 -0.20 -0.69 0.00 0.00 0.00 175.10 174.55 3gps s VAL 122 N 1.67 1.94 0.03 2.92 1.01 -1.26 -0.66 120.40 126.05 3gps s VAL 122 Ca 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3gps s VAL 122 Cb -0.16 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3gps s VAL 122 CO 0.07 0.53 -0.09 0.28 0.00 0.00 0.00 175.10 175.88 3gps s THR 123 N 0.92 0.71 0.00 3.92 -1.32 -0.43 -4.95 115.64 114.48 3gps s THR 123 Ca -0.05 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 3gps s THR 123 Cb -0.15 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 3gps s THR 123 CO -0.03 -0.10 0.45 -3.20 -2.21 0.00 0.00 174.62 169.53