#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 -3.38 0.00 0.11 -1.90 -3.42 132.00 123.41 3gps h PRO 11 Ca 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.78 3gps h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 3gps h PRO 11 CO 0.00 0.20 -0.72 -1.17 -0.21 0.00 0.00 178.00 176.10 3gps s LEU 12 N -8.58 0.55 0.04 2.35 2.96 -1.26 -0.89 118.68 113.85 3gps s LEU 12 Ca -0.04 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3gps s LEU 12 Cb 0.16 -0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.77 3gps s LEU 12 CO 0.70 -0.19 -0.04 0.00 -1.32 0.00 0.00 176.35 175.50 3gps s MET 13 N 1.66 0.46 -0.08 1.98 0.23 -0.47 -4.34 119.30 118.73 3gps s MET 13 Ca -0.02 -0.84 0.03 0.00 -1.03 0.00 0.00 55.69 53.83 3gps s MET 13 Cb -0.12 0.05 0.01 0.00 -1.53 0.00 0.00 34.83 33.23 3gps s MET 13 CO -0.03 -0.05 -0.16 0.08 -2.03 0.00 0.00 175.02 172.83 3gps s VAL 14 N -2.22 1.43 -0.08 5.16 1.01 -1.14 -0.37 120.40 124.19 3gps s VAL 14 Ca -0.07 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3gps s VAL 14 Cb -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3gps s VAL 14 CO -0.03 0.42 -0.17 -0.75 0.00 0.00 0.00 175.10 174.57 3gps s LYS 15 N 0.61 2.19 -0.11 2.72 2.20 0.10 -0.47 119.74 126.98 3gps s LYS 15 Ca -0.15 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 3gps s LYS 15 Cb -0.16 -1.73 0.02 0.00 -1.51 0.00 0.00 37.83 34.44 3gps s LYS 15 CO 0.05 0.09 -0.15 0.08 -0.36 0.00 0.00 175.35 175.06 3gps s VAL 16 N 0.53 1.49 -0.01 4.02 1.01 0.06 -0.44 120.40 127.06 3gps s VAL 16 Ca -0.16 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3gps s VAL 16 Cb -0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3gps s VAL 16 CO 0.06 0.44 -0.17 -0.76 0.00 0.00 0.00 175.10 174.67 3gps s LEU 17 N 1.06 2.62 -0.56 3.92 2.01 0.24 -1.46 118.68 126.51 3gps s LEU 17 Ca -0.05 -0.32 -0.22 0.00 0.01 0.00 0.00 54.13 53.55 3gps s LEU 17 Cb -0.15 -1.53 0.06 0.00 0.01 0.00 0.00 46.19 44.58 3gps s LEU 17 CO -0.03 0.30 0.83 -0.62 1.01 0.00 0.00 176.35 177.84 3gps s ASP 18 N -1.05 6.25 0.13 2.29 -1.08 0.81 -0.66 116.67 123.35 3gps s ASP 18 Ca 0.13 -0.76 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 3gps s ASP 18 Cb -0.11 -2.37 0.92 0.00 -1.46 0.00 0.00 42.92 39.90 3gps s ASP 18 CO 0.03 -1.16 1.73 0.00 0.52 0.00 0.00 175.17 176.29 3gps n ALA 19 N 7.01 2.01 0.04 3.66 0.00 -0.28 -1.32 120.51 131.63 3gps n ALA 19 Ca -0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 3gps n ALA 19 Cb 0.46 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 1.50 0.00 0.00 2.07 -1.92 -3.39 116.25 114.51 3gps h VAL 20 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 3gps h VAL 20 Cb 0.48 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 3gps h VAL 20 CO 0.00 0.69 -1.54 0.54 0.02 0.00 0.00 177.57 177.29 3gps n ARG 21 N -4.15 0.52 -2.45 1.57 1.74 -1.16 -5.00 116.66 107.72 3gps n ARG 21 Ca -0.13 -0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 56.81 3gps n ARG 21 Cb 0.79 -1.59 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 1.29 0.15 3.14 -0.13 0.00 -0.43 -5.06 105.19 104.15 3gps n GLY 22 Ca -0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.43 0.34 0.61 1.61 0.01 -1.05 -5.02 113.70 106.78 3gps s SER 23 Ca 0.03 -1.12 -0.19 0.00 1.31 0.00 0.00 55.95 55.98 3gps s SER 23 Cb -0.00 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 3gps s SER 23 CO 0.26 -0.70 1.30 -2.16 0.41 0.00 0.00 173.24 172.36 3gps s PRO 24 N -4.00 2.76 -0.38 12.44 0.04 -1.26 -0.14 135.00 144.46 3gps s PRO 24 Ca 0.18 2.09 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 3gps s PRO 24 Cb 0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3gps s PRO 24 CO -0.02 -1.44 0.47 0.00 0.04 0.00 0.00 177.00 176.04 3gps s ALA 25 N -1.39 3.45 -0.06 8.56 0.00 -0.53 -4.57 121.76 127.22 3gps s ALA 25 Ca 0.79 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 3gps s ALA 25 Cb -0.38 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3gps s ALA 25 CO 0.41 -1.34 -0.01 0.42 0.00 0.00 0.00 175.76 175.24 3gps s ILE 26 N 2.27 4.15 -1.59 0.00 1.01 -1.26 -4.23 121.20 121.54 3gps s ILE 26 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 3gps s ILE 26 Cb -0.16 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.55 3gps s ILE 26 CO 0.14 0.55 0.06 0.59 0.00 0.00 0.00 174.94 176.27 3gps n ASN 27 N 1.97 -5.47 -4.75 3.58 5.03 0.04 -4.92 115.26 110.75 3gps n ASN 27 Ca -0.17 -0.04 -0.37 0.00 0.87 0.00 0.00 54.58 54.87 3gps n ASN 27 Cb 0.53 -4.50 -0.07 0.00 -1.02 0.00 0.00 39.78 34.72 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 -2.96 5.28 0.21 2.41 1.01 -1.26 -4.74 120.40 120.35 3gps s VAL 28 Ca 0.03 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3gps s VAL 28 Cb -0.01 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3gps s VAL 28 CO 0.03 0.41 1.31 0.00 0.00 0.00 0.00 175.10 176.86 3gps s ALA 29 N 0.25 3.52 -0.07 5.51 0.00 -1.26 -1.25 121.76 128.46 3gps s ALA 29 Ca 0.18 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.28 3gps s ALA 29 Cb -0.13 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.52 3gps s ALA 29 CO 0.05 -0.54 -0.14 0.08 0.00 0.00 0.00 175.76 175.22 3gps s VAL 30 N 0.01 1.26 -0.09 0.00 1.01 -0.05 -0.35 120.40 122.18 3gps s VAL 30 Ca 0.56 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3gps s VAL 30 Cb -0.37 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3gps s VAL 30 CO 0.39 0.38 -0.19 -1.00 0.00 0.00 0.00 175.10 174.69 3gps s HIS 31 N 0.58 2.65 -0.08 5.22 3.76 0.27 -1.92 115.29 125.77 3gps s HIS 31 Ca -0.14 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 3gps s HIS 31 Cb -0.16 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 3gps s HIS 31 CO 0.04 -0.20 -0.08 0.08 -0.85 0.00 0.00 174.74 173.73 3gps s VAL 32 N 0.05 3.55 0.09 -0.90 1.01 0.53 -0.26 120.40 124.48 3gps s VAL 32 Ca -0.07 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3gps s VAL 32 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3gps s VAL 32 CO 0.05 0.58 -0.11 -0.36 0.00 0.00 0.00 175.10 175.26 3gps s PHE 33 N -0.52 1.11 -0.05 5.22 0.08 -0.07 -0.61 117.98 123.14 3gps s PHE 33 Ca 0.08 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.57 3gps s PHE 33 Cb -0.12 -0.61 -0.00 0.00 -0.57 0.00 0.00 43.02 41.72 3gps s PHE 33 CO 0.02 0.03 -0.19 0.50 -0.10 0.00 0.00 175.22 175.48 3gps s ARG 34 N -2.55 1.95 0.02 0.44 3.52 -0.29 -1.07 118.95 120.97 3gps s ARG 34 Ca 0.04 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.66 3gps s ARG 34 Cb -0.05 -1.68 -0.06 0.00 -1.56 0.00 0.00 34.95 31.60 3gps s ARG 34 CO 0.01 0.27 1.37 0.21 -0.81 0.00 0.00 175.30 176.36 3gps s LYS 35 N -0.01 4.30 0.91 5.12 2.47 0.56 -1.78 119.74 131.32 3gps s LYS 35 Ca -0.04 1.96 -0.12 0.00 -1.56 0.00 0.00 55.97 56.21 3gps s LYS 35 Cb -0.12 -3.50 0.19 0.00 -1.46 0.00 0.00 37.83 32.94 3gps s LYS 35 CO 0.03 -0.52 1.25 0.00 0.16 0.00 0.00 175.35 176.26 3gps s ALA 36 N 2.05 2.59 0.14 3.13 0.00 0.93 -4.69 121.76 125.90 3gps s ALA 36 Ca 0.63 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 3gps s ALA 36 Cb -0.32 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 3gps s ALA 36 CO 0.27 -2.23 1.52 0.00 0.00 0.00 0.00 175.76 175.33 3gps h ALA 37 N -1.39 -0.67 0.00 0.00 0.00 -1.94 -3.11 119.26 112.14 3gps h ALA 37 Ca -0.42 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gps h ALA 37 Cb 1.24 1.21 0.00 0.00 0.00 0.00 0.00 17.79 20.24 3gps h ALA 37 CO 0.38 -0.98 0.00 -0.40 0.00 0.00 0.00 179.25 178.24 3gps n ASP 38 N -5.21 0.00 0.00 0.00 5.68 -1.26 -4.80 116.55 110.96 3gps n ASP 38 Ca -0.01 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 3gps n ASP 38 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 -0.79 -0.91 -4.88 -1.12 9.92 -1.18 -5.03 116.55 112.56 3gps n ASP 39 Ca 0.08 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.00 3gps n ASP 39 Cb 0.03 -0.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 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 -2.37 5.09 -0.38 -3.53 -1.32 -1.26 -4.82 115.64 107.05 3gps s THR 40 Ca 0.00 0.33 -0.21 0.00 -1.21 0.00 0.00 61.69 60.61 3gps s THR 40 Cb 0.00 -3.64 0.01 0.00 -1.51 0.00 0.00 72.50 67.36 3gps s THR 40 CO 0.00 0.16 0.65 0.26 -2.21 0.00 0.00 174.62 173.48 3gps s TRP 41 N -1.54 3.12 -0.10 9.09 0.52 -1.26 -0.05 118.94 128.72 3gps s TRP 41 Ca 0.38 0.28 -0.22 0.00 0.02 0.00 0.00 56.10 56.56 3gps s TRP 41 Cb -0.13 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 3gps s TRP 41 CO 0.21 -0.69 0.63 -2.00 0.02 0.00 0.00 176.95 175.12 3gps s GLU 42 N 2.78 4.38 0.39 4.98 2.12 -0.73 -4.88 118.70 127.74 3gps s GLU 42 Ca 0.25 0.73 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 3gps s GLU 42 Cb -0.14 -3.47 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 3gps s GLU 42 CO 0.16 0.04 1.44 -1.25 -0.54 0.00 0.00 175.26 175.10 3gps s PRO 43 N 0.94 4.01 0.00 4.30 0.04 -1.26 -1.13 135.00 141.90 3gps s PRO 43 Ca 0.33 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3gps s PRO 43 Cb -0.17 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.49 3gps s PRO 43 CO 0.15 -0.57 0.00 0.34 0.04 0.00 0.00 177.00 176.96 3gps n PHE 44 N 0.30 0.00 -3.49 0.56 7.35 0.22 -4.80 117.46 117.59 3gps n PHE 44 Ca 0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.62 3gps n PHE 44 Cb 0.41 0.10 -0.02 0.00 0.35 0.00 0.00 39.48 40.32 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 -1.83 -1.80 0.30 3.13 0.00 -1.11 -5.01 121.76 115.44 3gps s ALA 45 Ca 0.00 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 3gps s ALA 45 Cb 0.00 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3gps s ALA 45 CO 0.00 -0.69 0.60 -1.54 0.00 0.00 0.00 175.76 174.12 3gps s SER 46 N -2.49 0.06 0.00 0.00 1.04 -1.26 -0.34 113.70 110.71 3gps s SER 46 Ca 0.04 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3gps s SER 46 Cb -0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3gps s SER 46 CO -0.09 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.41 3gps n GLY 47 N -0.46 -1.26 3.19 7.32 0.00 -0.81 -4.98 105.19 108.19 3gps n GLY 47 Ca -0.03 -0.99 -0.23 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 -0.95 1.14 0.58 1.61 1.02 -1.26 -0.88 119.74 121.00 3gps s LYS 48 Ca 0.00 -0.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.96 3gps s LYS 48 Cb 0.00 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3gps s LYS 48 CO 0.00 0.30 1.20 0.95 -0.92 0.00 0.00 175.35 176.88 3gps s THR 49 N -0.82 2.70 0.71 2.17 -4.23 -0.38 -4.79 115.64 111.00 3gps s THR 49 Ca 0.04 0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3gps s THR 49 Cb -0.08 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.75 3gps s THR 49 CO 0.02 -0.09 0.92 -1.54 -0.54 0.00 0.00 174.62 173.38 3gps n SER 50 N -1.53 -0.16 0.20 3.99 3.41 0.46 -0.78 113.62 119.21 3gps n SER 50 Ca 0.13 -1.29 0.15 0.00 -0.26 0.00 0.00 58.87 57.60 3gps n SER 50 Cb 0.50 -0.71 0.68 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.93 -0.24 114.58 121.62 3gps h GLU 51 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3gps h GLU 51 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gps h GLU 51 CO 0.21 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.09 3gps n SER 52 N -2.55 2.88 0.00 1.42 3.41 -1.26 -4.82 113.62 112.69 3gps n SER 52 Ca -0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3gps n SER 52 Cb 0.16 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.37 0.55 3.61 5.00 0.00 -0.10 -4.79 105.19 110.83 3gps n GLY 53 Ca 0.17 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.58 2.37 -0.23 1.61 2.02 -1.26 -0.76 118.70 121.87 3gps s GLU 54 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3gps s GLU 54 Cb 0.00 -2.43 0.06 0.00 0.10 0.00 0.00 34.13 31.86 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 -2.02 2.43 0.28 1.80 2.96 0.38 -0.40 118.68 124.11 3gps s LEU 55 Ca 0.21 -1.12 0.07 0.00 -0.22 0.00 0.00 54.13 53.08 3gps s LEU 55 Cb -0.11 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3gps s LEU 55 CO 0.13 -0.24 0.20 -1.00 -1.32 0.00 0.00 176.35 174.13 3gps s HIS 56 N 1.44 2.99 -0.47 5.38 3.76 -1.26 -2.86 115.29 124.26 3gps s HIS 56 Ca -0.05 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 3gps s HIS 56 Cb -0.19 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.01 3gps s HIS 56 CO -0.06 0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.67 3gps n GLY 57 N -1.20 0.52 0.28 -2.22 0.00 -1.26 -4.93 105.19 96.37 3gps n GLY 57 Ca -0.06 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 0.96 -8.34 0.99 3.38 -1.84 -3.47 115.31 106.99 3gps h LEU 58 Ca -0.10 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 3gps h LEU 58 Cb 0.62 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 3gps h LEU 58 CO 0.14 1.13 -0.22 0.28 0.09 0.00 0.00 178.44 179.86 3gps s THR 59 N -4.65 0.00 0.08 0.22 -1.32 -1.26 -4.79 115.64 103.92 3gps s THR 59 Ca -0.11 -1.54 0.05 0.00 -1.21 0.00 0.00 61.69 58.88 3gps s THR 59 Cb 0.12 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 3gps s THR 59 CO 0.86 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 173.66 3gps s THR 60 N -3.90 3.84 0.30 5.08 -4.23 -1.26 -4.58 115.64 110.90 3gps s THR 60 Ca 0.27 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3gps s THR 60 Cb 0.01 -2.81 0.42 0.00 1.34 0.00 0.00 72.50 71.46 3gps s THR 60 CO 0.11 0.16 1.54 -0.62 -0.54 0.00 0.00 174.62 175.27 3gps n GLU 61 N 0.73 -0.08 -0.18 3.99 4.71 -1.26 -0.79 120.64 127.76 3gps n GLU 61 Ca -0.12 1.48 -0.09 0.00 -0.01 0.00 0.00 57.16 58.41 3gps n GLU 61 Cb 0.52 -2.34 0.01 0.00 -1.01 0.00 0.00 31.44 28.62 3gps n GLU 61 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3gps h GLU 62 N 0.00 0.88 0.00 3.49 4.57 -2.04 -2.40 114.58 119.08 3gps h GLU 62 Ca 0.59 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 3gps h GLU 62 Cb 1.20 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3gps h GLU 62 CO -0.93 0.89 0.00 0.93 -1.18 0.00 0.00 179.01 178.72 3gps h GLU 63 N 0.75 0.00 -3.41 1.92 5.08 -1.43 -3.39 114.58 114.10 3gps h GLU 63 Ca 0.15 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.76 3gps h GLU 63 Cb 0.48 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 3gps h GLU 63 CO 0.02 0.00 2.21 0.34 -1.00 0.00 0.00 179.01 180.58 3gps n PHE 64 N -2.82 2.91 -1.74 4.33 7.35 0.03 -4.93 117.46 122.60 3gps n PHE 64 Ca 0.03 -2.81 -0.29 0.00 -0.76 0.00 0.00 57.45 53.62 3gps n PHE 64 Cb 0.43 -1.99 0.09 0.00 0.35 0.00 0.00 39.48 38.36 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 0.45 2.59 0.26 -2.13 -7.23 -1.26 -4.95 120.40 108.12 3gps s VAL 65 Ca 0.42 0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 3gps s VAL 65 Cb 0.11 -3.08 -0.14 0.00 0.56 0.00 0.00 36.38 33.84 3gps s VAL 65 CO -0.02 -0.25 1.30 -1.84 -0.31 0.00 0.00 175.10 173.99 3gps n GLU 66 N -3.37 1.85 -3.88 4.82 0.00 -1.26 -4.87 120.64 113.92 3gps n GLU 66 Ca 0.07 0.65 0.00 0.00 0.00 0.00 0.00 57.16 57.89 3gps n GLU 66 Cb 0.59 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.79 3gps n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gps n GLY 67 N 1.76 -1.81 3.53 -1.84 0.00 -1.23 -5.02 105.19 100.58 3gps n GLY 67 Ca 0.10 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.68 4.13 -0.01 -0.61 1.09 -1.26 -0.63 121.20 121.22 3gps s ILE 68 Ca 0.00 -0.27 0.06 0.00 -1.10 0.00 0.00 60.65 59.34 3gps s ILE 68 Cb 0.00 -2.83 -0.03 0.00 -1.06 0.00 0.00 42.46 38.55 3gps s ILE 68 CO 0.00 0.48 -0.20 -0.31 -0.10 0.00 0.00 174.94 174.81 3gps s TYR 69 N 0.40 2.50 -0.12 3.97 2.02 0.49 -0.32 117.35 126.29 3gps s TYR 69 Ca -0.02 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3gps s TYR 69 Cb -0.14 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3gps s TYR 69 CO 0.02 0.12 -0.15 0.21 -1.57 0.00 0.00 175.55 174.18 3gps s LYS 70 N -0.90 3.29 -0.19 -0.62 2.20 -0.23 -0.77 119.74 122.51 3gps s LYS 70 Ca 0.12 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.96 3gps s LYS 70 Cb -0.10 -2.56 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 3gps s LYS 70 CO 0.01 0.23 -0.01 0.08 -0.36 0.00 0.00 175.35 175.30 3gps s VAL 71 N 0.30 3.89 -0.21 4.02 1.01 0.68 -0.89 120.40 129.19 3gps s VAL 71 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3gps s VAL 71 Cb -0.16 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3gps s VAL 71 CO 0.06 0.44 -0.14 -1.61 0.00 0.00 0.00 175.10 173.85 3gps s GLU 72 N 0.93 2.88 -0.18 2.72 2.02 0.64 -0.40 118.70 127.32 3gps s GLU 72 Ca 0.01 -0.92 -0.05 0.00 0.02 0.00 0.00 54.97 54.03 3gps s GLU 72 Cb -0.14 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 3gps s GLU 72 CO 0.02 -0.30 0.01 0.42 0.02 0.00 0.00 175.26 175.42 3gps s ILE 73 N 1.29 4.22 -0.31 -1.63 1.01 0.64 -0.56 121.20 125.85 3gps s ILE 73 Ca 0.02 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 3gps s ILE 73 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.44 3gps s ILE 73 CO -0.09 0.46 1.31 -1.81 0.00 0.00 0.00 174.94 174.81 3gps s ASP 74 N 0.59 6.64 0.00 3.58 -0.00 0.53 -0.43 116.67 127.59 3gps s ASP 74 Ca -0.00 1.17 0.02 0.00 -0.00 0.00 0.00 52.55 53.74 3gps s ASP 74 Cb -0.14 -2.54 -0.00 0.00 -0.00 0.00 0.00 42.92 40.24 3gps s ASP 74 CO 0.02 -1.11 0.26 0.35 -0.00 0.00 0.00 175.17 174.69 3gps n THR 75 N 6.29 0.00 -0.09 -1.27 -2.24 -0.39 -4.61 114.28 111.96 3gps n THR 75 Ca 0.15 -0.48 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 3gps n THR 75 Cb 0.47 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.14 -0.23 -0.22 -0.78 3.64 -1.68 -2.50 116.57 114.94 3gps h LYS 76 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3gps h LYS 76 Cb 0.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gps h LYS 76 CO 0.00 -0.15 0.00 -1.13 -2.27 0.00 0.00 179.45 175.90 3gps n SER 77 N -5.40 2.64 -0.31 4.20 3.41 -1.26 -4.53 113.62 112.36 3gps n SER 77 Ca 0.01 -1.78 0.07 0.00 -0.26 0.00 0.00 58.87 56.90 3gps n SER 77 Cb 0.32 -0.14 0.22 0.00 -0.26 0.00 0.00 64.21 64.35 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 2.62 0.86 -0.61 7.33 3.20 -1.74 -1.81 116.97 126.83 3gps h TYR 78 Ca 0.00 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.59 3gps h TYR 78 Cb 0.68 -0.25 -0.19 0.00 1.54 0.00 0.00 36.73 38.51 3gps h TYR 78 CO 0.14 0.25 0.21 0.91 -1.64 0.00 0.00 178.16 178.03 3gps n TRP 79 N -4.81 1.88 -0.25 -3.82 8.01 -1.26 -4.60 117.44 112.60 3gps n TRP 79 Ca 0.17 -1.70 0.04 0.00 -1.31 0.00 0.00 57.50 54.70 3gps n TRP 79 Cb 0.41 -0.68 0.17 0.00 -2.01 0.00 0.00 31.31 29.21 3gps n TRP 79 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3gps h LYS 80 N 1.02 0.47 0.00 -0.99 3.64 -1.49 -1.81 116.57 117.42 3gps h LYS 80 Ca 0.39 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3gps h LYS 80 Cb 2.15 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 3gps h LYS 80 CO 0.68 0.31 -0.01 0.00 -2.27 0.00 0.00 179.45 178.16 3gps h ALA 81 N 1.51 1.11 0.00 5.00 0.00 -1.81 -1.29 119.26 123.78 3gps h ALA 81 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3gps h ALA 81 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gps h ALA 81 CO -0.37 0.01 -0.25 1.28 0.00 0.00 0.00 179.25 179.93 3gps n LEU 82 N -3.24 0.44 0.00 0.00 4.77 -0.69 -4.93 117.00 113.35 3gps n LEU 82 Ca -0.03 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3gps n LEU 82 Cb 0.11 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3gps n LEU 82 CO 0.23 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3gps n GLY 83 N 1.42 0.46 3.23 -0.72 0.00 -0.49 -5.05 105.19 104.04 3gps n GLY 83 Ca 0.06 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 1.90 -0.16 -0.61 1.01 -1.16 -5.06 121.20 115.11 3gps s ILE 84 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 3gps s ILE 84 Cb 0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3gps s ILE 84 CO 0.00 0.53 0.29 -0.94 0.00 0.00 0.00 174.94 174.82 3gps s SER 85 N -0.07 6.43 0.99 3.58 1.04 -1.26 -4.22 113.70 120.19 3gps s SER 85 Ca -0.05 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.73 3gps s SER 85 Cb -0.14 -2.18 0.19 0.00 0.10 0.00 0.00 66.02 64.00 3gps s SER 85 CO 0.04 0.10 1.20 -2.16 0.98 0.00 0.00 173.24 173.40 3gps s PRO 86 N 0.46 0.43 0.55 4.02 0.04 -1.26 -4.95 135.00 134.29 3gps s PRO 86 Ca 0.16 -0.06 0.24 0.00 0.04 0.00 0.00 61.00 61.39 3gps s PRO 86 Cb -0.13 -1.79 1.57 0.00 0.04 0.00 0.00 34.50 34.19 3gps s PRO 86 CO 0.04 -2.61 2.19 0.00 0.04 0.00 0.00 177.00 176.65 3gps h MET 87 N -1.79 0.00 -2.69 4.56 -0.00 -1.33 -3.45 114.93 110.22 3gps h MET 87 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 3gps h MET 87 Cb 1.29 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.75 3gps h MET 87 CO 0.47 0.03 0.27 -1.58 -0.00 0.00 0.00 176.91 176.10 3gps s HIS 88 N -4.71 -0.52 -0.53 -0.10 5.65 -1.26 -5.04 115.29 108.78 3gps s HIS 88 Ca -0.05 0.43 0.25 0.00 0.25 0.00 0.00 55.06 55.94 3gps s HIS 88 Cb 0.15 0.53 0.93 0.00 -1.18 0.00 0.00 32.58 33.01 3gps s HIS 88 CO 0.60 -0.75 1.75 1.05 -0.65 0.00 0.00 174.74 176.74 3gps h GLU 89 N 2.15 0.00 -5.23 2.88 4.11 -1.94 -3.41 114.58 113.14 3gps h GLU 89 Ca -0.30 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.75 3gps h GLU 89 Cb 1.27 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 3gps h GLU 89 CO 0.37 0.00 -0.74 -1.01 0.07 0.00 0.00 179.01 177.69 3gps s HIS 90 N -3.26 1.28 -0.23 2.06 3.76 -1.26 -1.27 115.29 116.37 3gps s HIS 90 Ca 0.06 -0.61 -0.10 0.00 -0.15 0.00 0.00 55.06 54.27 3gps s HIS 90 Cb 0.10 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 3gps s HIS 90 CO 0.48 0.10 0.13 0.00 -0.85 0.00 0.00 174.74 174.60 3gps s ALA 91 N -2.38 3.52 0.03 -1.40 0.00 0.43 -4.85 121.76 117.11 3gps s ALA 91 Ca 0.09 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3gps s ALA 91 Cb -0.03 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 3gps s ALA 91 CO 0.02 -0.16 -0.20 -1.21 0.00 0.00 0.00 175.76 174.21 3gps s GLU 92 N 0.99 1.41 -0.02 0.00 2.02 -1.26 -0.26 118.70 121.59 3gps s GLU 92 Ca 0.06 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.19 3gps s GLU 92 Cb -0.13 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.62 3gps s GLU 92 CO 0.04 0.39 -0.04 0.08 0.02 0.00 0.00 175.26 175.74 3gps s VAL 93 N -0.73 0.38 -0.11 2.63 1.01 0.47 -4.97 120.40 119.08 3gps s VAL 93 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 3gps s VAL 93 Cb -0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3gps s VAL 93 CO 0.01 0.14 -0.09 -0.69 0.00 0.00 0.00 175.10 174.47 3gps s VAL 94 N 0.26 3.45 0.05 2.92 1.01 -1.26 -0.23 120.40 126.59 3gps s VAL 94 Ca -0.03 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3gps s VAL 94 Cb -0.06 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3gps s VAL 94 CO -0.00 0.55 -0.07 0.72 0.00 0.00 0.00 175.10 176.30 3gps s PHE 95 N -0.12 0.64 -0.22 5.22 -0.12 0.05 -4.99 117.98 118.44 3gps s PHE 95 Ca 0.00 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.17 3gps s PHE 95 Cb -0.13 -0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 41.82 3gps s PHE 95 CO 0.03 -0.13 0.12 0.99 -0.05 0.00 0.00 175.22 176.18 3gps s THR 96 N -2.00 5.12 0.10 -4.49 2.01 -1.26 -0.38 115.64 114.75 3gps s THR 96 Ca -0.05 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.08 3gps s THR 96 Cb -0.06 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3gps s THR 96 CO -0.01 0.39 0.09 0.00 -0.69 0.00 0.00 174.62 174.40 3gps s ALA 97 N 0.81 3.55 -1.04 7.40 0.00 0.19 -4.67 121.76 128.00 3gps s ALA 97 Ca 0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 3gps s ALA 97 Cb -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.59 3gps s ALA 97 CO 0.02 0.68 0.03 0.09 0.00 0.00 0.00 175.76 176.58 3gps n ASN 98 N 0.24 0.45 -3.31 0.00 5.03 -1.26 -3.46 115.26 112.94 3gps n ASN 98 Ca -0.09 -0.87 -0.38 0.00 0.87 0.00 0.00 54.58 54.11 3gps n ASN 98 Cb 0.52 -1.08 -0.02 0.00 -1.02 0.00 0.00 39.78 38.18 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 -1.83 7.91 0.00 6.41 3.85 -1.26 -3.94 116.55 127.68 3gps n ASP 99 Ca -0.22 -3.06 0.00 0.00 -0.71 0.00 0.00 54.79 50.80 3gps n ASP 99 Cb 0.47 -1.37 0.00 0.00 -1.35 0.00 0.00 41.12 38.87 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 1.88 0.00 0.00 -1.12 7.64 -1.26 -5.13 113.62 115.63 3gps n SER 100 Ca 0.63 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3gps n SER 100 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.00 0.28 3.48 0.23 0.00 -1.25 -5.12 105.19 102.81 3gps n GLY 101 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 3.65 -0.15 1.61 0.04 -1.26 -4.66 135.00 132.23 3gps s PRO 102 Ca 0.00 -0.53 -0.17 0.00 0.04 0.00 0.00 61.00 60.33 3gps s PRO 102 Cb 0.00 -2.91 0.05 0.00 0.04 0.00 0.00 34.50 31.67 3gps s PRO 102 CO 0.00 0.21 0.47 1.03 0.04 0.00 0.00 177.00 178.76 3gps s ARG 103 N 0.43 0.61 -0.14 4.56 0.52 -1.26 -4.80 118.95 118.88 3gps s ARG 103 Ca -0.04 0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 55.61 3gps s ARG 103 Cb -0.14 0.29 -0.05 0.00 0.52 0.00 0.00 34.95 35.57 3gps s ARG 103 CO 0.03 -0.10 0.19 1.03 0.02 0.00 0.00 175.30 176.47 3gps s ARG 104 N -0.04 3.86 -0.12 3.54 0.52 -0.57 -4.90 118.95 121.24 3gps s ARG 104 Ca -0.02 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 3gps s ARG 104 Cb -0.03 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 3gps s ARG 104 CO 0.02 0.53 -0.18 0.71 0.02 0.00 0.00 175.30 176.39 3gps s TYR 105 N -0.35 2.70 -0.21 -0.53 2.02 -0.07 -1.30 117.35 119.61 3gps s TYR 105 Ca 0.14 -0.87 -0.04 0.00 -0.37 0.00 0.00 57.07 55.92 3gps s TYR 105 Cb -0.12 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3gps s TYR 105 CO 0.03 -0.34 -0.02 0.99 -1.57 0.00 0.00 175.55 174.65 3gps s THR 106 N 0.40 3.72 -0.33 -0.71 2.01 -0.38 -1.37 115.64 118.98 3gps s THR 106 Ca -0.14 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 3gps s THR 106 Cb -0.17 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 3gps s THR 106 CO 0.06 0.43 0.21 -0.63 -0.69 0.00 0.00 174.62 174.00 3gps s ILE 107 N 1.18 5.09 -0.23 1.82 -1.09 0.50 -1.05 121.20 127.42 3gps s ILE 107 Ca 0.03 -0.27 -0.06 0.00 -2.23 0.00 0.00 60.65 58.12 3gps s ILE 107 Cb -0.15 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3gps s ILE 107 CO 0.00 0.02 0.02 0.00 -1.23 0.00 0.00 174.94 173.74 3gps s ALA 108 N 1.69 3.02 -0.15 9.38 0.00 -0.53 -0.72 121.76 134.45 3gps s ALA 108 Ca 0.06 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3gps s ALA 108 Cb -0.17 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.09 3gps s ALA 108 CO 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 175.76 175.32 3gps s ALA 109 N 1.40 1.96 -0.37 0.00 0.00 0.41 -1.12 121.76 124.04 3gps s ALA 109 Ca 0.05 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3gps s ALA 109 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3gps s ALA 109 CO 0.01 -0.33 0.24 -1.64 0.00 0.00 0.00 175.76 174.04 3gps s MET 110 N 1.36 3.04 -0.15 0.00 -1.94 0.69 -0.59 119.30 121.71 3gps s MET 110 Ca 0.03 -0.95 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 3gps s MET 110 Cb -0.13 -3.82 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 3gps s MET 110 CO -0.10 -0.65 -0.04 -0.51 -0.01 0.00 0.00 175.02 173.72 3gps s LEU 111 N 1.63 3.27 0.31 -0.03 1.43 0.16 -1.81 118.68 123.65 3gps s LEU 111 Ca 0.04 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3gps s LEU 111 Cb -0.19 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 3gps s LEU 111 CO 0.08 0.19 -0.03 -0.44 0.23 0.00 0.00 176.35 176.38 3gps s SER 112 N 0.24 2.94 0.27 2.29 0.01 0.12 -1.12 113.70 118.45 3gps s SER 112 Ca -0.02 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 55.99 3gps s SER 112 Cb -0.14 -0.20 0.55 0.00 0.21 0.00 0.00 66.02 66.44 3gps s SER 112 CO 0.03 -0.39 1.80 -0.65 0.41 0.00 0.00 173.24 174.44 3gps h PRO 113 N 2.16 0.80 -0.05 12.44 0.11 -1.98 -3.09 132.00 142.40 3gps h PRO 113 Ca -0.41 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gps h PRO 113 Cb 1.24 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gps h PRO 113 CO 0.70 0.53 -0.03 0.66 -0.21 0.00 0.00 178.00 179.65 3gps n TYR 114 N -4.73 0.18 -3.63 0.65 4.01 -1.26 -0.83 117.16 111.56 3gps n TYR 114 Ca 0.18 -1.01 -0.14 0.00 -0.16 0.00 0.00 57.90 56.77 3gps n TYR 114 Cb 0.40 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 39.17 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 -2.73 -0.74 0.04 7.72 0.15 -1.17 -4.99 113.70 111.99 3gps s SER 115 Ca 0.34 1.40 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 3gps s SER 115 Cb 0.30 1.41 0.01 0.00 -1.71 0.00 0.00 66.02 66.03 3gps s SER 115 CO 0.03 -0.26 0.24 -0.72 1.20 0.00 0.00 173.24 173.74 3gps s TYR 116 N 0.31 -0.01 -0.11 3.44 -0.85 -1.26 -0.70 117.35 118.16 3gps s TYR 116 Ca -0.00 -0.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.40 3gps s TYR 116 Cb -0.05 0.02 -0.00 0.00 0.38 0.00 0.00 41.96 42.31 3gps s TYR 116 CO 0.01 -0.46 -0.21 -1.12 -1.52 0.00 0.00 175.55 172.25 3gps s SER 117 N -2.08 3.30 -0.08 -0.18 0.01 -0.75 -4.99 113.70 108.93 3gps s SER 117 Ca -0.05 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 3gps s SER 117 Cb -0.01 -1.46 0.03 0.00 0.21 0.00 0.00 66.02 64.79 3gps s SER 117 CO -0.04 0.15 0.00 0.42 0.41 0.00 0.00 173.24 174.19 3gps s THR 118 N 0.42 0.39 0.06 1.44 -4.23 -1.26 -0.22 115.64 112.24 3gps s THR 118 Ca -0.16 0.06 0.09 0.00 -1.18 0.00 0.00 61.69 60.51 3gps s THR 118 Cb -0.17 -0.58 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 3gps s THR 118 CO 0.07 0.22 -0.24 0.42 -0.54 0.00 0.00 174.62 174.55 3gps s THR 119 N 1.96 1.93 -0.30 3.99 -4.23 -0.28 -4.98 115.64 113.73 3gps s THR 119 Ca 0.05 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 3gps s THR 119 Cb -0.13 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 3gps s THR 119 CO -0.06 0.23 0.16 0.00 -0.54 0.00 0.00 174.62 174.42 3gps s ALA 120 N -0.86 3.34 -0.31 3.99 0.00 -1.26 -1.46 121.76 125.20 3gps s ALA 120 Ca 0.10 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 3gps s ALA 120 Cb -0.10 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 3gps s ALA 120 CO 0.03 -0.80 0.19 0.08 0.00 0.00 0.00 175.76 175.26 3gps s VAL 121 N 1.66 4.99 -0.18 0.00 1.01 -0.21 -4.97 120.40 122.70 3gps s VAL 121 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3gps s VAL 121 Cb -0.17 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.72 3gps s VAL 121 CO 0.07 0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 3gps s VAL 122 N 1.68 2.00 0.16 2.92 1.01 -1.26 -1.24 120.40 125.67 3gps s VAL 122 Ca 0.06 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.18 3gps s VAL 122 Cb -0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3gps s VAL 122 CO 0.09 0.49 -0.22 0.42 0.00 0.00 0.00 175.10 175.87 3gps s THR 123 N 1.30 2.06 0.00 3.92 -4.23 -0.42 -4.98 115.64 113.30 3gps s THR 123 Ca 0.04 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3gps s THR 123 Cb -0.13 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.79 3gps s THR 123 CO -0.12 -0.12 0.00 -0.46 -0.54 0.00 0.00 174.62 173.38