#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 0.23 -3.27 0.00 0.13 -1.88 -3.41 132.00 123.79 3gps h PRO 11 Ca 0.00 -0.04 -0.41 0.00 -0.87 0.00 0.00 66.00 64.67 3gps h PRO 11 Cb 0.00 -0.04 -0.40 0.00 0.13 0.00 0.00 31.00 30.70 3gps h PRO 11 CO 0.00 0.32 -0.75 -1.17 -0.23 0.00 0.00 178.00 176.18 3gps s LEU 12 N -8.86 0.30 0.03 1.56 2.96 -1.26 -0.34 118.68 113.07 3gps s LEU 12 Ca -0.06 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 3gps s LEU 12 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 3gps s LEU 12 CO 0.72 -0.28 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.93 3gps s MET 13 N 2.13 1.58 -0.09 1.98 -2.45 0.12 -4.26 119.30 118.31 3gps s MET 13 Ca 0.04 -0.95 0.04 0.00 -1.25 0.00 0.00 55.69 53.56 3gps s MET 13 Cb -0.14 -1.67 0.00 0.00 1.25 0.00 0.00 34.83 34.28 3gps s MET 13 CO -0.05 0.43 -0.21 0.08 1.05 0.00 0.00 175.02 176.32 3gps s VAL 14 N -0.74 1.83 -0.09 10.11 1.01 -1.00 -0.60 120.40 130.92 3gps s VAL 14 Ca 0.09 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3gps s VAL 14 Cb -0.09 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3gps s VAL 14 CO 0.01 0.51 -0.17 -0.75 0.00 0.00 0.00 175.10 174.71 3gps s LYS 15 N 0.36 2.29 -0.13 2.72 2.20 0.11 0.17 119.74 127.46 3gps s LYS 15 Ca -0.16 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3gps s LYS 15 Cb -0.17 -1.86 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 3gps s LYS 15 CO 0.07 0.02 -0.18 0.08 -0.36 0.00 0.00 175.35 174.98 3gps s VAL 16 N 0.73 1.76 -0.05 4.02 1.01 0.27 -0.58 120.40 127.57 3gps s VAL 16 Ca -0.12 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3gps s VAL 16 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3gps s VAL 16 CO 0.02 0.49 -0.15 -0.76 0.00 0.00 0.00 175.10 174.70 3gps s LEU 17 N 0.95 2.67 -0.52 3.92 2.01 -0.04 -0.97 118.68 126.69 3gps s LEU 17 Ca -0.06 -0.22 -0.24 0.00 0.01 0.00 0.00 54.13 53.62 3gps s LEU 17 Cb -0.15 -1.53 0.04 0.00 0.01 0.00 0.00 46.19 44.55 3gps s LEU 17 CO -0.03 0.34 0.91 -0.62 1.01 0.00 0.00 176.35 177.97 3gps s ASP 18 N -0.72 6.37 0.10 2.29 -1.08 -0.13 -0.40 116.67 123.10 3gps s ASP 18 Ca 0.11 -0.27 0.25 0.00 -0.52 0.00 0.00 52.55 52.12 3gps s ASP 18 Cb -0.11 -2.43 0.97 0.00 -1.46 0.00 0.00 42.92 39.90 3gps s ASP 18 CO 0.00 -1.15 1.78 0.00 0.52 0.00 0.00 175.17 176.32 3gps n ALA 19 N 7.28 2.12 0.01 3.66 0.00 0.25 -1.70 120.51 132.14 3gps n ALA 19 Ca 0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 3gps n ALA 19 Cb 0.48 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 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 1.42 0.00 0.00 2.07 -1.92 -3.38 116.25 114.44 3gps h VAL 20 Ca 0.00 -2.46 -0.06 0.00 0.82 0.00 0.00 66.70 65.00 3gps h VAL 20 Cb 0.52 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 3gps h VAL 20 CO 0.00 0.68 -1.47 0.54 0.02 0.00 0.00 177.57 177.34 3gps n ARG 21 N -4.17 0.63 -2.27 1.57 1.74 -1.24 -5.01 116.66 107.91 3gps n ARG 21 Ca -0.17 0.05 -0.04 0.00 -0.77 0.00 0.00 57.85 56.91 3gps n ARG 21 Cb 0.78 -1.72 0.02 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.26 3.37 -0.13 0.00 -0.69 -5.08 105.19 104.21 3gps n GLY 22 Ca -0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.29 -0.10 0.47 1.61 1.04 -1.14 -5.03 113.70 107.27 3gps s SER 23 Ca 0.03 -0.60 -0.24 0.00 0.48 0.00 0.00 55.95 55.62 3gps s SER 23 Cb -0.00 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 3gps s SER 23 CO 0.20 -0.90 1.42 -2.16 0.98 0.00 0.00 173.24 172.77 3gps s PRO 24 N -3.89 3.55 -0.49 4.02 0.04 -1.26 -0.96 135.00 136.01 3gps s PRO 24 Ca 0.10 2.40 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 3gps s PRO 24 Cb 0.02 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 32.03 3gps s PRO 24 CO -0.05 -0.92 0.92 0.00 0.04 0.00 0.00 177.00 176.99 3gps s ALA 25 N -1.22 3.21 -0.12 8.56 0.00 -0.14 -4.64 121.76 127.42 3gps s ALA 25 Ca 0.64 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 3gps s ALA 25 Cb -0.43 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 3gps s ALA 25 CO 0.55 -2.16 0.11 0.42 0.00 0.00 0.00 175.76 174.68 3gps s ILE 26 N 3.79 5.26 -1.46 0.00 1.01 -1.26 -4.27 121.20 124.27 3gps s ILE 26 Ca 0.34 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 3gps s ILE 26 Cb -0.11 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.12 3gps s ILE 26 CO 0.24 0.60 0.93 -3.20 0.00 0.00 0.00 174.94 173.51 3gps n ASN 27 N 2.15 -5.47 -4.84 3.58 5.15 -0.13 -4.92 115.26 110.78 3gps n ASN 27 Ca -0.19 -0.57 -0.37 0.00 -0.60 0.00 0.00 54.58 52.84 3gps n ASN 27 Cb 0.54 -4.36 -0.06 0.00 -0.53 0.00 0.00 39.78 35.37 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 -3.24 5.32 0.11 3.44 1.01 -1.26 -4.72 120.40 121.06 3gps s VAL 28 Ca 0.55 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 3gps s VAL 28 Cb -0.26 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3gps s VAL 28 CO 0.68 0.58 1.09 0.00 0.00 0.00 0.00 175.10 177.44 3gps s ALA 29 N -0.84 3.33 -0.11 5.51 0.00 -1.26 -0.87 121.76 127.51 3gps s ALA 29 Ca 0.18 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.89 3gps s ALA 29 Cb -0.14 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3gps s ALA 29 CO 0.07 -0.25 -0.12 0.08 0.00 0.00 0.00 175.76 175.54 3gps s VAL 30 N 0.35 1.30 -0.15 0.00 1.01 0.02 -0.88 120.40 122.05 3gps s VAL 30 Ca 0.52 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3gps s VAL 30 Cb -0.27 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gps s VAL 30 CO 0.32 0.41 -0.19 -1.00 0.00 0.00 0.00 175.10 174.64 3gps s HIS 31 N 1.26 2.72 -0.13 5.22 3.76 0.24 -1.29 115.29 127.07 3gps s HIS 31 Ca -0.02 -1.19 -0.05 0.00 -0.15 0.00 0.00 55.06 53.66 3gps s HIS 31 Cb -0.14 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 3gps s HIS 31 CO -0.05 -0.54 0.05 0.08 -0.85 0.00 0.00 174.74 173.43 3gps s VAL 32 N 0.81 4.69 0.20 -0.90 1.01 0.12 -0.72 120.40 125.60 3gps s VAL 32 Ca -0.06 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 61.92 3gps s VAL 32 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3gps s VAL 32 CO -0.01 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.10 3gps s PHE 33 N -0.46 2.01 0.06 5.22 0.08 0.19 -0.86 117.98 124.22 3gps s PHE 33 Ca 0.09 -0.43 0.10 0.00 0.12 0.00 0.00 56.93 56.81 3gps s PHE 33 Cb -0.12 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 3gps s PHE 33 CO 0.02 0.44 -0.26 0.50 -0.10 0.00 0.00 175.22 175.82 3gps s ARG 34 N -2.99 1.73 -0.10 0.44 3.52 0.11 -1.11 118.95 120.55 3gps s ARG 34 Ca 0.20 -1.15 -0.30 0.00 -0.13 0.00 0.00 55.73 54.35 3gps s ARG 34 Cb -0.06 -1.97 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 3gps s ARG 34 CO 0.09 0.50 1.29 0.21 -0.81 0.00 0.00 175.30 176.58 3gps s LYS 35 N -1.40 4.28 0.00 5.12 2.20 0.41 -1.01 119.74 129.33 3gps s LYS 35 Ca 0.12 1.75 0.24 0.00 -0.36 0.00 0.00 55.97 57.72 3gps s LYS 35 Cb -0.10 -3.68 0.39 0.00 -1.51 0.00 0.00 37.83 32.93 3gps s LYS 35 CO 0.03 -0.61 1.33 0.00 -0.36 0.00 0.00 175.35 175.74 3gps n ALA 36 N 5.97 3.54 0.00 3.13 0.00 0.62 -4.76 120.51 129.02 3gps n ALA 36 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3gps n ALA 36 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3gps n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gps n ALA 37 N -0.84 0.00 1.99 0.00 0.00 -1.26 -4.34 120.51 116.06 3gps n ALA 37 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.55 3gps n ALA 37 Cb 0.37 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.92 3gps n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gps n ASP 38 N 0.00 0.02 -0.10 0.00 5.75 -1.26 -4.92 116.55 116.05 3gps n ASP 38 Ca 0.00 -1.89 -0.01 0.00 -0.01 0.00 0.00 54.79 52.87 3gps n ASP 38 Cb 0.00 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3gps n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3gps n ASP 39 N -0.54 -4.62 -4.95 -1.12 9.92 -1.26 -5.01 116.55 108.98 3gps n ASP 39 Ca 0.03 0.03 -0.24 0.00 -0.53 0.00 0.00 54.79 54.08 3gps n ASP 39 Cb 0.02 -2.23 0.01 0.00 -0.64 0.00 0.00 41.12 38.28 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 -1.56 4.04 -0.47 -3.53 -4.23 -1.26 -4.75 115.64 103.88 3gps s THR 40 Ca 0.00 -0.40 -0.25 0.00 -1.18 0.00 0.00 61.69 59.86 3gps s THR 40 Cb 0.00 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.36 3gps s THR 40 CO 0.00 -0.38 0.93 0.26 -0.54 0.00 0.00 174.62 174.89 3gps s TRP 41 N -2.61 2.91 -0.08 3.99 0.52 -1.26 -0.27 118.94 122.14 3gps s TRP 41 Ca 0.49 0.37 -0.26 0.00 0.02 0.00 0.00 56.10 56.71 3gps s TRP 41 Cb -0.10 -3.99 -0.03 0.00 -1.15 0.00 0.00 33.47 28.21 3gps s TRP 41 CO 0.39 -1.12 0.83 -1.83 0.02 0.00 0.00 176.95 175.24 3gps s GLU 42 N 3.78 4.43 0.13 4.98 -1.05 -0.18 -4.84 118.70 125.95 3gps s GLU 42 Ca 0.37 1.09 -0.35 0.00 -0.15 0.00 0.00 54.97 55.93 3gps s GLU 42 Cb -0.10 -3.49 -0.15 0.00 -0.44 0.00 0.00 34.13 29.94 3gps s GLU 42 CO 0.26 -0.10 1.39 -2.30 0.95 0.00 0.00 175.26 175.46 3gps n PRO 43 N 4.31 1.51 0.00 -4.83 -0.02 -1.26 0.07 135.00 134.78 3gps n PRO 43 Ca 0.03 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3gps n PRO 43 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.59 0.00 -3.43 6.00 7.35 -0.04 -4.79 117.46 125.14 3gps n PHE 44 Ca 0.17 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.74 3gps n PHE 44 Cb 0.24 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.08 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 -1.98 -1.63 0.14 3.13 0.00 -1.01 -5.01 121.76 115.39 3gps s ALA 45 Ca 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 3gps s ALA 45 Cb 0.00 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.98 3gps s ALA 45 CO 0.00 -0.75 0.50 -1.54 0.00 0.00 0.00 175.76 173.98 3gps s SER 46 N -2.67 -0.40 0.01 0.00 1.04 -1.26 0.13 113.70 110.55 3gps s SER 46 Ca 0.01 -0.14 -0.28 0.00 0.48 0.00 0.00 55.95 56.03 3gps s SER 46 Cb -0.01 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.74 3gps s SER 46 CO -0.12 -0.90 1.25 -0.83 0.98 0.00 0.00 173.24 173.63 3gps s GLY 47 N -2.73 -0.08 0.02 7.32 0.00 -0.41 -4.97 107.32 106.47 3gps s GLY 47 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 44.72 44.78 3gps s GLY 47 CO -0.12 5.41 -0.24 0.54 0.00 0.00 0.00 173.10 178.69 3gps s LYS 48 N -2.03 1.77 0.55 2.90 1.02 -1.26 -0.80 119.74 121.88 3gps s LYS 48 Ca 0.29 -0.97 -0.19 0.00 0.02 0.00 0.00 55.97 55.12 3gps s LYS 48 Cb -0.01 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.41 3gps s LYS 48 CO 0.00 0.48 1.14 0.95 -0.92 0.00 0.00 175.35 177.00 3gps s THR 49 N -0.70 3.12 1.02 2.17 -4.23 -0.05 -4.79 115.64 112.18 3gps s THR 49 Ca 0.10 0.70 -0.17 0.00 -1.18 0.00 0.00 61.69 61.14 3gps s THR 49 Cb -0.09 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.70 3gps s THR 49 CO 0.01 -0.15 1.33 -0.94 -0.54 0.00 0.00 174.62 174.33 3gps s SER 50 N -1.76 2.62 0.55 3.99 1.04 0.47 -0.96 113.70 119.65 3gps s SER 50 Ca 0.73 0.19 0.37 0.00 0.48 0.00 0.00 55.95 57.72 3gps s SER 50 Cb -0.24 -0.16 1.97 0.00 0.10 0.00 0.00 66.02 67.68 3gps s SER 50 CO 0.27 -3.04 2.13 -0.33 0.98 0.00 0.00 173.24 173.25 3gps h GLU 51 N -1.85 0.00 -0.40 4.02 5.08 -1.92 -0.69 114.58 118.82 3gps h GLU 51 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3gps h GLU 51 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3gps h GLU 51 CO 0.32 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.20 3gps n SER 52 N -2.82 2.74 -0.11 1.42 3.41 -1.26 -4.81 113.62 112.19 3gps n SER 52 Ca -0.02 -1.92 -0.01 0.00 -0.26 0.00 0.00 58.87 56.65 3gps n SER 52 Cb 0.08 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.35 0.48 3.84 5.00 0.00 -0.26 -4.82 105.19 110.78 3gps n GLY 53 Ca 0.18 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.05 3.13 -0.23 1.61 2.02 -1.26 -0.56 118.70 122.36 3gps s GLU 54 Ca 0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 3gps s GLU 54 Cb 0.00 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.44 3gps s GLU 54 CO 0.00 0.58 0.05 -1.17 0.02 0.00 0.00 175.26 174.74 3gps s LEU 55 N -2.49 1.55 0.31 1.80 2.96 0.13 -0.40 118.68 122.54 3gps s LEU 55 Ca 0.32 -1.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3gps s LEU 55 Cb -0.12 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 3gps s LEU 55 CO 0.25 -0.34 0.28 -1.00 -1.32 0.00 0.00 176.35 174.22 3gps s HIS 56 N 1.77 3.00 0.00 5.38 3.76 -1.26 -2.36 115.29 125.58 3gps s HIS 56 Ca 0.02 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3gps s HIS 56 Cb -0.17 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.83 3gps s HIS 56 CO -0.14 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 3gps n GLY 57 N -1.34 0.49 0.33 -2.22 0.00 -1.26 -4.94 105.19 96.25 3gps n GLY 57 Ca -0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 1.00 0.00 0.99 3.38 -1.84 -3.47 115.31 115.38 3gps h LEU 58 Ca 0.00 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 3gps h LEU 58 Cb 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3gps h LEU 58 CO 0.00 0.75 -0.07 1.07 0.09 0.00 0.00 178.44 180.28 3gps n THR 59 N -4.46 0.00 -4.38 0.22 5.66 -1.26 -4.75 114.28 105.30 3gps n THR 59 Ca 0.09 -1.55 -0.28 0.00 -3.05 0.00 0.00 64.05 59.26 3gps n THR 59 Cb 0.04 1.02 -0.13 0.00 -1.55 0.00 0.00 70.33 69.71 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 -2.69 2.20 0.51 1.09 -4.23 -1.26 -4.61 115.64 106.66 3gps s THR 60 Ca 0.25 -1.80 0.25 0.00 -1.18 0.00 0.00 61.69 59.21 3gps s THR 60 Cb -0.02 -1.97 0.41 0.00 1.34 0.00 0.00 72.50 72.26 3gps s THR 60 CO 0.18 0.02 1.96 -0.08 -0.54 0.00 0.00 174.62 176.16 3gps h GLU 61 N 3.75 0.08 0.00 3.99 4.81 -1.99 -1.78 114.58 123.44 3gps h GLU 61 Ca -0.49 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 3gps h GLU 61 Cb 1.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3gps h GLU 61 CO 0.41 0.05 -0.37 1.49 -0.73 0.00 0.00 179.01 179.87 3gps h GLU 62 N 0.09 0.00 0.00 1.92 4.57 -2.04 -3.28 114.58 115.83 3gps h GLU 62 Ca 0.31 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.30 3gps h GLU 62 Cb 1.13 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 3gps h GLU 62 CO -0.03 0.37 -1.40 0.93 -1.18 0.00 0.00 179.01 177.70 3gps h GLU 63 N 0.00 0.00 -3.38 1.92 5.08 -1.74 -3.42 114.58 113.04 3gps h GLU 63 Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.71 3gps h GLU 63 Cb 1.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.32 3gps h GLU 63 CO 0.05 0.39 3.46 0.34 -1.00 0.00 0.00 179.01 182.25 3gps n PHE 64 N -2.98 2.56 -2.11 4.33 7.35 -1.06 -4.97 117.46 120.57 3gps n PHE 64 Ca -0.10 -2.87 -0.27 0.00 -0.76 0.00 0.00 57.45 53.44 3gps n PHE 64 Cb 0.89 -2.38 0.07 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 2.72 2.44 0.37 -2.13 -7.23 -1.26 -4.96 120.40 110.35 3gps s VAL 65 Ca 0.60 -0.10 -0.27 0.00 -1.81 0.00 0.00 61.98 60.40 3gps s VAL 65 Cb 0.16 -3.09 -0.12 0.00 0.56 0.00 0.00 36.38 33.89 3gps s VAL 65 CO -0.06 -0.10 1.15 -0.62 -0.31 0.00 0.00 175.10 175.16 3gps n GLU 66 N -3.01 1.71 -3.62 4.82 1.02 -1.26 -4.85 120.64 115.45 3gps n GLU 66 Ca 0.08 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3gps n GLU 66 Cb 0.60 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.99 -1.24 3.37 0.62 0.00 -1.16 -4.98 105.19 102.79 3gps n GLY 67 Ca 0.07 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 3.56 -0.01 -0.61 1.01 -1.26 0.10 121.20 120.99 3gps s ILE 68 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.28 3gps s ILE 68 Cb 0.00 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 3gps s ILE 68 CO 0.00 0.44 -0.24 -0.31 0.00 0.00 0.00 174.94 174.83 3gps s TYR 69 N 1.12 2.38 -0.14 3.97 2.02 -0.29 -0.45 117.35 125.97 3gps s TYR 69 Ca 0.02 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3gps s TYR 69 Cb -0.15 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3gps s TYR 69 CO -0.00 0.02 -0.17 0.21 -1.57 0.00 0.00 175.55 174.04 3gps s LYS 70 N -0.75 3.19 -0.26 -0.62 2.20 -0.27 -1.09 119.74 122.14 3gps s LYS 70 Ca 0.11 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 3gps s LYS 70 Cb -0.10 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 3gps s LYS 70 CO -0.00 0.09 0.10 0.08 -0.36 0.00 0.00 175.35 175.26 3gps s VAL 71 N 0.62 4.53 -0.22 4.02 1.01 0.19 -0.63 120.40 129.92 3gps s VAL 71 Ca -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3gps s VAL 71 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3gps s VAL 71 CO 0.03 0.28 -0.07 -0.70 0.00 0.00 0.00 175.10 174.64 3gps s GLU 72 N 1.64 3.22 -0.21 2.72 2.12 0.10 -0.94 118.70 127.35 3gps s GLU 72 Ca 0.06 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.61 3gps s GLU 72 Cb -0.16 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3gps s GLU 72 CO 0.05 -0.24 0.03 0.42 -0.54 0.00 0.00 175.26 174.99 3gps s ILE 73 N 1.42 4.19 -0.03 -3.70 1.01 0.64 -0.59 121.20 124.14 3gps s ILE 73 Ca 0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 3gps s ILE 73 Cb -0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3gps s ILE 73 CO -0.05 0.41 1.23 -1.81 0.00 0.00 0.00 174.94 174.72 3gps s ASP 74 N 1.06 7.02 -0.02 3.58 1.01 -0.06 -0.73 116.67 128.54 3gps s ASP 74 Ca 0.03 1.89 0.03 0.00 0.71 0.00 0.00 52.55 55.20 3gps s ASP 74 Cb -0.14 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.27 3gps s ASP 74 CO 0.02 -0.59 0.85 0.35 0.21 0.00 0.00 175.17 176.01 3gps n THR 75 N 4.53 0.40 -0.24 -1.27 -2.24 -0.47 -4.63 114.28 110.36 3gps n THR 75 Ca 0.11 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 3gps n THR 75 Cb 0.46 0.56 0.14 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.55 0.00 -0.78 3.64 -1.72 -3.21 116.57 115.05 3gps h LYS 76 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3gps h LYS 76 Cb 1.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3gps h LYS 76 CO 0.00 0.37 -0.00 0.43 -2.27 0.00 0.00 179.45 177.97 3gps n SER 77 N -4.89 1.79 0.20 4.20 7.64 -1.26 -4.75 113.62 116.55 3gps n SER 77 Ca 0.11 -1.93 0.06 0.00 1.01 0.00 0.00 58.87 58.12 3gps n SER 77 Cb 0.29 -0.01 0.44 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.00 -0.51 1.43 3.20 -1.87 -2.35 116.97 116.87 3gps h TYR 78 Ca 0.00 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.51 3gps h TYR 78 Cb 0.57 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.58 3gps h TYR 78 CO 0.00 0.32 -0.53 0.91 -1.64 0.00 0.00 178.16 177.22 3gps n TRP 79 N -3.82 1.81 -0.33 -3.82 8.01 -1.26 -4.69 117.44 113.33 3gps n TRP 79 Ca -0.01 -2.00 -0.01 0.00 -1.31 0.00 0.00 57.50 54.17 3gps n TRP 79 Cb 0.40 -0.41 0.13 0.00 -2.01 0.00 0.00 31.31 29.42 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 1.69 1.07 0.00 -0.99 1.79 -1.60 -2.79 116.57 115.74 3gps h LYS 80 Ca 0.26 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3gps h LYS 80 Cb 1.36 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3gps h LYS 80 CO 0.56 0.71 0.00 0.00 -1.08 0.00 0.00 179.45 179.63 3gps h ALA 81 N 1.38 1.00 0.00 3.86 0.00 -1.84 0.64 119.26 124.31 3gps h ALA 81 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3gps h ALA 81 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gps h ALA 81 CO -0.13 0.00 -0.34 -0.07 0.00 0.00 0.00 179.25 178.71 3gps h LEU 82 N 0.00 0.00 0.16 0.00 -0.00 -1.84 -3.47 115.31 110.16 3gps h LEU 82 Ca 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 3gps h LEU 82 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3gps h LEU 82 CO 0.00 0.02 -0.05 0.61 -0.00 0.00 0.00 178.44 179.03 3gps n GLY 83 N 1.22 0.48 3.14 0.83 0.00 0.22 -5.04 105.19 106.04 3gps n GLY 83 Ca 0.03 -0.93 -0.29 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 -2.09 1.68 -0.16 -0.61 1.01 -1.11 -5.06 121.20 114.86 3gps s ILE 84 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3gps s ILE 84 Cb 0.00 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3gps s ILE 84 CO 0.00 0.48 0.41 -0.94 0.00 0.00 0.00 174.94 174.88 3gps s SER 85 N 0.42 6.53 0.97 3.58 1.04 -1.26 -4.26 113.70 120.71 3gps s SER 85 Ca -0.16 0.63 -0.14 0.00 0.48 0.00 0.00 55.95 56.76 3gps s SER 85 Cb -0.17 -2.24 0.17 0.00 0.10 0.00 0.00 66.02 63.88 3gps s SER 85 CO 0.06 -0.01 1.16 -2.16 0.98 0.00 0.00 173.24 173.27 3gps s PRO 86 N 0.89 0.68 0.58 4.02 0.04 -1.26 -4.92 135.00 135.02 3gps s PRO 86 Ca 0.21 0.15 0.27 0.00 0.04 0.00 0.00 61.00 61.67 3gps s PRO 86 Cb -0.14 -1.80 1.64 0.00 0.04 0.00 0.00 34.50 34.24 3gps s PRO 86 CO 0.08 -2.48 2.15 0.00 0.04 0.00 0.00 177.00 176.78 3gps h MET 87 N -1.70 0.00 -1.89 4.56 -0.00 -0.99 -3.43 114.93 111.47 3gps h MET 87 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.19 3gps h MET 87 Cb 1.31 0.00 -0.20 0.00 -0.00 0.00 0.00 31.60 32.71 3gps h MET 87 CO 0.54 0.00 0.28 -1.58 -0.00 0.00 0.00 176.91 176.15 3gps s HIS 88 N -4.71 -0.59 -0.71 -0.10 5.65 -1.26 -5.05 115.29 108.52 3gps s HIS 88 Ca -0.05 1.00 0.17 0.00 0.25 0.00 0.00 55.06 56.44 3gps s HIS 88 Cb 0.16 0.42 0.75 0.00 -1.18 0.00 0.00 32.58 32.72 3gps s HIS 88 CO 0.57 -0.54 1.53 -0.85 -0.65 0.00 0.00 174.74 174.80 3gps n GLU 89 N 0.87 0.09 -4.40 2.88 0.00 -1.26 -4.71 120.64 114.10 3gps n GLU 89 Ca -0.17 0.39 -0.20 0.00 0.00 0.00 0.00 57.16 57.18 3gps n GLU 89 Cb 0.57 -1.70 -0.10 0.00 0.00 0.00 0.00 31.44 30.21 3gps n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3gps s HIS 90 N -3.18 1.86 -0.17 -1.84 3.76 -1.26 -1.37 115.29 113.08 3gps s HIS 90 Ca 0.04 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.23 3gps s HIS 90 Cb 0.08 -1.02 -0.02 0.00 1.11 0.00 0.00 32.58 32.73 3gps s HIS 90 CO 0.27 0.27 -0.05 0.00 -0.85 0.00 0.00 174.74 174.38 3gps s ALA 91 N -3.04 2.88 -0.14 -1.40 0.00 0.10 -4.86 121.76 115.29 3gps s ALA 91 Ca 0.28 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3gps s ALA 91 Cb 0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3gps s ALA 91 CO 0.10 0.02 -0.12 -2.00 0.00 0.00 0.00 175.76 173.76 3gps s GLU 92 N 0.72 3.40 -0.10 0.00 -6.30 -1.26 -0.26 118.70 114.90 3gps s GLU 92 Ca -0.03 -0.67 0.01 0.00 -2.50 0.00 0.00 54.97 51.78 3gps s GLU 92 Cb -0.15 -2.67 0.02 0.00 0.00 0.00 0.00 34.13 31.34 3gps s GLU 92 CO 0.02 0.19 -0.10 0.08 0.02 0.00 0.00 175.26 175.47 3gps s VAL 93 N 0.42 1.12 -0.12 3.70 1.01 -0.12 -4.99 120.40 121.42 3gps s VAL 93 Ca -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3gps s VAL 93 Cb -0.16 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3gps s VAL 93 CO 0.05 0.37 -0.02 -0.69 0.00 0.00 0.00 175.10 174.81 3gps s VAL 94 N 1.27 4.07 0.02 2.92 1.01 -1.26 -0.64 120.40 127.78 3gps s VAL 94 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3gps s VAL 94 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3gps s VAL 94 CO -0.04 0.55 -0.03 0.72 0.00 0.00 0.00 175.10 176.30 3gps s PHE 95 N -0.26 0.24 -0.19 5.22 -0.12 -0.25 -5.00 117.98 117.62 3gps s PHE 95 Ca 0.05 -0.37 -0.19 0.00 -0.05 0.00 0.00 56.93 56.37 3gps s PHE 95 Cb -0.13 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 3gps s PHE 95 CO 0.02 -0.12 0.54 0.99 -0.05 0.00 0.00 175.22 176.60 3gps s THR 96 N -1.01 5.09 0.17 -4.49 2.01 -1.26 -1.14 115.64 115.02 3gps s THR 96 Ca -0.10 1.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.88 3gps s THR 96 Cb -0.07 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3gps s THR 96 CO -0.01 0.18 0.38 0.00 -0.69 0.00 0.00 174.62 174.48 3gps s ALA 97 N 1.59 3.82 -0.97 7.40 0.00 0.11 -4.53 121.76 129.19 3gps s ALA 97 Ca 0.25 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 3gps s ALA 97 Cb -0.16 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 20.98 3gps s ALA 97 CO 0.10 0.54 0.28 0.09 0.00 0.00 0.00 175.76 176.77 3gps n ASN 98 N -0.34 -2.78 0.26 0.00 3.02 -1.26 -2.99 115.26 111.18 3gps n ASN 98 Ca -0.04 -0.15 0.18 0.00 -0.03 0.00 0.00 54.58 54.54 3gps n ASN 98 Cb 0.53 -2.37 0.90 0.00 -0.61 0.00 0.00 39.78 38.23 3gps n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3gps h ASP 99 N -0.51 0.00 -1.94 6.41 -0.00 -1.91 -3.32 116.42 115.14 3gps h ASP 99 Ca -0.31 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.25 3gps h ASP 99 Cb 1.21 0.00 -0.40 0.00 -0.00 0.00 0.00 39.33 40.14 3gps h ASP 99 CO 0.40 0.00 -1.19 -1.20 -0.00 0.00 0.00 179.24 177.25 3gps n SER 100 N -2.79 0.81 0.00 4.15 7.64 -1.26 -5.12 113.62 117.05 3gps n SER 100 Ca -0.02 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.86 3gps n SER 100 Cb 0.11 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 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 0.27 -0.06 3.79 0.23 0.00 -1.25 -5.05 105.19 103.12 3gps n GLY 101 Ca 0.24 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.55 4.47 0.02 1.61 0.04 -1.26 -4.43 135.00 133.90 3gps s PRO 102 Ca 0.00 1.23 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 3gps s PRO 102 Cb 0.00 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.90 3gps s PRO 102 CO 0.00 0.23 0.49 1.03 0.04 0.00 0.00 177.00 178.79 3gps s ARG 103 N -2.28 0.97 -0.04 4.56 1.81 -1.26 -4.89 118.95 117.82 3gps s ARG 103 Ca 0.52 -0.19 -0.18 0.00 -1.72 0.00 0.00 55.73 54.17 3gps s ARG 103 Cb -0.16 0.44 -0.05 0.00 -0.45 0.00 0.00 34.95 34.73 3gps s ARG 103 CO 0.21 -0.33 0.48 1.03 -0.68 0.00 0.00 175.30 176.01 3gps s ARG 104 N -2.13 4.19 -0.13 3.54 1.81 -0.13 -4.84 118.95 121.26 3gps s ARG 104 Ca -0.07 0.51 -0.00 0.00 -1.72 0.00 0.00 55.73 54.44 3gps s ARG 104 Cb -0.01 -3.33 -0.02 0.00 -0.45 0.00 0.00 34.95 31.14 3gps s ARG 104 CO 0.01 0.41 -0.12 0.71 -0.68 0.00 0.00 175.30 175.63 3gps s TYR 105 N -0.23 2.83 -0.17 -0.53 2.02 0.53 -0.94 117.35 120.87 3gps s TYR 105 Ca 0.26 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3gps s TYR 105 Cb -0.17 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3gps s TYR 105 CO 0.13 -0.16 -0.20 0.99 -1.57 0.00 0.00 175.55 174.74 3gps s THR 106 N 0.29 2.01 -0.37 -0.71 2.01 0.08 -0.71 115.64 118.23 3gps s THR 106 Ca -0.09 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 3gps s THR 106 Cb -0.15 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.55 3gps s THR 106 CO 0.05 0.53 0.25 -0.63 -0.69 0.00 0.00 174.62 174.14 3gps s ILE 107 N 1.20 5.15 -0.24 1.82 -1.09 0.23 -0.61 121.20 127.65 3gps s ILE 107 Ca 0.02 -0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 57.91 3gps s ILE 107 Cb -0.14 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 3gps s ILE 107 CO -0.10 -0.13 0.10 0.00 -1.23 0.00 0.00 174.94 173.57 3gps s ALA 108 N 1.68 3.29 -0.21 9.38 0.00 -0.27 -0.72 121.76 134.92 3gps s ALA 108 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3gps s ALA 108 Cb -0.18 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 20.84 3gps s ALA 108 CO 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 175.76 175.39 3gps s ALA 109 N 1.42 2.01 -0.41 0.00 0.00 0.25 -0.32 121.76 124.72 3gps s ALA 109 Ca 0.06 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 3gps s ALA 109 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.66 3gps s ALA 109 CO 0.05 -0.92 0.53 -1.64 0.00 0.00 0.00 175.76 173.78 3gps s MET 110 N 1.38 3.30 -0.07 0.00 -1.94 0.07 -0.86 119.30 121.17 3gps s MET 110 Ca -0.03 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 3gps s MET 110 Cb -0.17 -3.92 -0.02 0.00 2.01 0.00 0.00 34.83 32.73 3gps s MET 110 CO -0.08 -0.85 -0.12 -0.51 -0.01 0.00 0.00 175.02 173.46 3gps s LEU 111 N 2.44 2.86 0.27 -0.03 1.43 0.47 -2.04 118.68 124.08 3gps s LEU 111 Ca 0.17 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3gps s LEU 111 Cb -0.16 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 3gps s LEU 111 CO 0.15 0.31 -0.02 -0.44 0.23 0.00 0.00 176.35 176.58 3gps s SER 112 N -0.49 2.36 0.42 2.29 0.01 -0.98 -0.58 113.70 116.73 3gps s SER 112 Ca 0.07 -1.23 0.12 0.00 1.31 0.00 0.00 55.95 56.22 3gps s SER 112 Cb -0.12 -0.09 0.89 0.00 0.21 0.00 0.00 66.02 66.91 3gps s SER 112 CO 0.02 -0.45 1.96 -0.65 0.41 0.00 0.00 173.24 174.53 3gps h PRO 113 N 2.33 0.13 0.00 12.44 0.11 -1.98 -3.18 132.00 141.85 3gps h PRO 113 Ca -0.39 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gps h PRO 113 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3gps h PRO 113 CO 0.67 0.28 -0.15 0.66 -0.21 0.00 0.00 178.00 179.25 3gps n TYR 114 N -4.30 0.00 -3.57 0.65 4.01 -1.26 -0.26 117.16 112.43 3gps n TYR 114 Ca -0.01 -1.01 -0.10 0.00 -0.16 0.00 0.00 57.90 56.61 3gps n TYR 114 Cb 0.25 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.79 -0.45 -0.09 7.72 0.15 -1.20 -5.00 113.70 112.03 3gps s SER 115 Ca 0.31 -0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 3gps s SER 115 Cb 0.28 0.63 0.12 0.00 -1.71 0.00 0.00 66.02 65.33 3gps s SER 115 CO 0.00 -1.07 0.97 -0.72 1.20 0.00 0.00 173.24 173.62 3gps s TYR 116 N -3.81 -0.34 -0.16 3.44 -0.85 -1.26 -2.31 117.35 112.07 3gps s TYR 116 Ca 0.04 0.39 0.01 0.00 -0.52 0.00 0.00 57.07 56.99 3gps s TYR 116 Cb -0.02 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.83 3gps s TYR 116 CO -0.07 -0.42 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.24 3gps s SER 117 N -1.83 2.93 0.10 -0.18 0.01 -0.86 -5.01 113.70 108.84 3gps s SER 117 Ca 0.02 -0.57 0.09 0.00 1.31 0.00 0.00 55.95 56.80 3gps s SER 117 Cb -0.01 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.84 3gps s SER 117 CO -0.04 -0.01 -0.22 0.42 0.41 0.00 0.00 173.24 173.80 3gps s THR 118 N 1.28 1.83 -0.01 1.44 -4.23 -1.26 -0.75 115.64 113.94 3gps s THR 118 Ca 0.03 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 3gps s THR 118 Cb -0.13 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.07 3gps s THR 118 CO -0.10 0.03 0.03 -0.89 -0.54 0.00 0.00 174.62 173.15 3gps s THR 119 N -1.07 0.00 -0.21 3.99 2.01 0.57 -5.00 115.64 115.93 3gps s THR 119 Ca 0.08 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 3gps s THR 119 Cb -0.10 -0.06 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 3gps s THR 119 CO 0.04 -0.00 -0.03 0.00 -0.69 0.00 0.00 174.62 173.94 3gps s ALA 120 N 0.01 2.90 -0.27 7.40 0.00 -1.26 -1.12 121.76 129.43 3gps s ALA 120 Ca -0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.81 3gps s ALA 120 Cb -0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3gps s ALA 120 CO 0.00 -0.26 0.10 0.08 0.00 0.00 0.00 175.76 175.68 3gps s VAL 121 N 1.19 4.48 -0.22 0.00 1.01 0.22 -4.97 120.40 122.12 3gps s VAL 121 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3gps s VAL 121 Cb -0.14 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3gps s VAL 121 CO -0.00 0.27 -0.15 -0.69 0.00 0.00 0.00 175.10 174.53 3gps s VAL 122 N 1.63 2.04 0.09 2.92 1.01 -1.26 -0.74 120.40 126.09 3gps s VAL 122 Ca 0.06 -1.24 0.09 0.00 0.00 0.00 0.00 61.98 60.89 3gps s VAL 122 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3gps s VAL 122 CO 0.05 0.25 -0.22 0.42 0.00 0.00 0.00 175.10 175.60 3gps s THR 123 N 1.23 2.57 -0.02 3.92 -4.23 -0.12 -4.95 115.64 114.03 3gps s THR 123 Ca -0.02 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 3gps s THR 123 Cb -0.16 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.55 3gps s THR 123 CO -0.09 0.19 -0.02 -1.13 -0.54 0.00 0.00 174.62 173.04 3gps h ASN 124 N 4.12 0.00 0.00 3.99 -0.73 -1.90 -0.31 115.58 120.75 3gps h ASN 124 Ca -0.49 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.68 3gps h ASN 124 Cb 1.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.75 3gps h ASN 124 CO 0.44 0.11 0.00 -2.65 -0.37 0.00 0.00 177.43 174.96