#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uct h GLU 3 N 0.00 0.00 0.00 2.61 4.81 -2.06 0.66 114.58 120.60 1uct h GLU 3 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1uct h GLU 3 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1uct h GLU 3 CO 0.00 0.00 -0.01 0.78 -0.73 0.00 0.00 179.01 179.05 1uct h GLY 4 N 0.00 0.00 1.92 1.92 0.00 -2.08 -0.93 103.07 103.90 1uct h GLY 4 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1uct h GLY 4 CO -0.00 0.00 -0.04 1.22 0.00 0.00 0.00 176.54 177.72 1uct n ASP 5 N -3.20 0.04 -3.26 0.19 8.00 0.23 -4.32 116.55 114.22 1uct n ASP 5 Ca -0.02 0.43 -0.25 0.00 0.71 0.00 0.00 54.79 55.66 1uct n ASP 5 Cb 0.12 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 1uct n ASP 5 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1uct n PHE 6 N -1.49 1.93 -1.75 1.24 3.01 -0.35 -5.10 117.46 114.95 1uct n PHE 6 Ca 0.07 -3.89 -0.41 0.00 1.01 0.00 0.00 57.45 54.23 1uct n PHE 6 Cb 0.34 -0.46 0.01 0.00 -0.01 0.00 0.00 39.48 39.35 1uct n PHE 6 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1uct n PRO 7 N 0.88 2.35 -3.98 -1.08 -0.04 -1.26 -5.00 135.00 126.87 1uct n PRO 7 Ca 0.26 0.83 -0.22 0.00 -0.04 0.00 0.00 63.50 64.33 1uct n PRO 7 Cb 0.47 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1uct n PRO 7 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1uct s MET 8 N -2.19 2.56 0.41 0.54 -1.94 -1.26 -5.09 119.30 112.33 1uct s MET 8 Ca 0.57 -1.40 -0.26 0.00 -1.71 0.00 0.00 55.69 52.90 1uct s MET 8 Cb -0.49 -2.33 -0.08 0.00 2.01 0.00 0.00 34.83 33.94 1uct s MET 8 CO 0.61 0.13 1.27 -2.14 -0.01 0.00 0.00 175.02 174.89 1uct s PRO 9 N -3.90 3.93 0.73 2.03 0.02 -1.26 -4.82 135.00 131.73 1uct s PRO 9 Ca 0.38 2.09 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 1uct s PRO 9 Cb -0.04 -2.70 0.04 0.00 0.02 0.00 0.00 34.50 31.81 1uct s PRO 9 CO 0.24 -0.50 1.11 -0.59 -0.33 0.00 0.00 177.00 176.94 1uct s PHE 10 N -1.30 3.19 -0.04 6.54 -0.12 -1.26 -1.13 117.98 123.85 1uct s PHE 10 Ca 0.58 0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 58.33 1uct s PHE 10 Cb -0.36 -3.19 0.01 0.00 -0.63 0.00 0.00 43.02 38.84 1uct s PHE 10 CO 0.46 -1.36 0.11 -1.50 -0.05 0.00 0.00 175.22 172.89 1uct s ILE 11 N -3.41 0.01 -0.05 -4.49 2.07 -1.26 -1.42 121.20 112.65 1uct s ILE 11 Ca 0.59 -0.06 -0.18 0.00 -1.41 0.00 0.00 60.65 59.59 1uct s ILE 11 Cb -0.11 -0.19 0.03 0.00 0.13 0.00 0.00 42.46 42.33 1uct s ILE 11 CO 0.50 -0.03 0.40 -0.94 -1.91 0.00 0.00 174.94 172.95 1uct s SER 12 N -0.06 -0.32 0.16 4.50 1.04 -0.17 -4.92 113.70 113.93 1uct s SER 12 Ca -0.01 0.34 -0.22 0.00 0.48 0.00 0.00 55.95 56.53 1uct s SER 12 Cb -0.01 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.48 1uct s SER 12 CO 0.00 -0.42 0.72 0.00 0.98 0.00 0.00 173.24 174.52 1uct s ALA 13 N -1.01 3.47 -0.84 5.32 0.00 -1.26 -1.18 121.76 126.25 1uct s ALA 13 Ca -0.11 0.24 0.16 0.00 0.00 0.00 0.00 51.96 52.26 1uct s ALA 13 Cb -0.04 -2.85 -0.16 0.00 0.00 0.00 0.00 23.12 20.07 1uct s ALA 13 CO 0.05 0.32 0.71 1.63 0.00 0.00 0.00 175.76 178.47 1uct n LYS 14 N 1.36 1.61 -4.39 0.00 4.76 0.67 -4.92 118.16 117.25 1uct n LYS 14 Ca -0.06 -0.07 -0.22 0.00 -2.87 0.00 0.00 58.31 55.09 1uct n LYS 14 Cb 0.50 -1.27 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 1uct n LYS 14 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1uct s SER 15 N -2.49 2.15 0.21 4.39 1.04 -1.23 -4.93 113.70 112.84 1uct s SER 15 Ca 0.07 -1.71 -0.32 0.00 0.48 0.00 0.00 55.95 54.47 1uct s SER 15 Cb 0.12 0.54 -0.12 0.00 0.10 0.00 0.00 66.02 66.67 1uct s SER 15 CO 0.65 -1.00 1.72 -0.55 0.98 0.00 0.00 173.24 175.03 1uct s SER 16 N -3.48 6.37 0.00 7.02 0.15 -1.26 -4.81 113.70 117.70 1uct s SER 16 Ca 0.33 2.88 0.19 0.00 0.70 0.00 0.00 55.95 60.05 1uct s SER 16 Cb 0.02 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.74 1uct s SER 16 CO 0.21 -0.97 1.67 -0.81 1.20 0.00 0.00 173.24 174.54 1uct n PRO 17 N 3.86 1.20 -3.60 5.44 -0.04 -1.26 -4.44 135.00 136.16 1uct n PRO 17 Ca 0.15 -0.30 -0.40 0.00 -0.04 0.00 0.00 63.50 62.91 1uct n PRO 17 Cb 0.35 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1uct n PRO 17 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uct s VAL 18 N -1.94 4.24 -0.14 0.52 1.01 -1.26 -1.41 120.40 121.42 1uct s VAL 18 Ca 0.29 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1uct s VAL 18 Cb 0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1uct s VAL 18 CO 0.23 -0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 173.99 1uct s ILE 19 N 1.43 2.25 0.73 2.22 1.01 -0.14 -4.96 121.20 123.74 1uct s ILE 19 Ca 0.03 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1uct s ILE 19 Cb -0.23 -1.91 0.04 0.00 0.01 0.00 0.00 42.46 40.37 1uct s ILE 19 CO 0.02 0.54 1.23 -2.16 0.00 0.00 0.00 174.94 174.57 1uct s PRO 20 N 0.72 2.08 0.32 2.79 0.04 -1.26 -0.67 135.00 139.03 1uct s PRO 20 Ca -0.09 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 1uct s PRO 20 Cb -0.16 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1uct s PRO 20 CO 0.01 -1.90 1.28 -0.11 0.04 0.00 0.00 177.00 176.31 1uct n LEU 21 N -2.68 3.31 0.00 -3.56 7.94 -0.56 -0.38 117.00 121.06 1uct n LEU 21 Ca 0.14 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 1uct n LEU 21 Cb 0.50 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1uct n LEU 21 CO 0.48 -0.58 0.00 -0.67 -1.11 0.00 0.00 177.39 175.51 1uct n ASP 22 N 0.99 -2.98 -2.66 1.96 2.03 0.32 -4.90 116.55 111.30 1uct n ASP 22 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1uct n ASP 22 Cb 0.35 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 1uct n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uct n GLY 23 N -1.34 -0.75 3.43 0.27 0.00 0.49 -3.86 105.19 103.43 1uct n GLY 23 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1uct n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uct s SER 24 N -1.00 0.00 0.06 1.61 1.04 -1.26 0.33 113.70 114.48 1uct s SER 24 Ca 0.00 -1.06 -0.18 0.00 0.48 0.00 0.00 55.95 55.19 1uct s SER 24 Cb 0.00 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1uct s SER 24 CO 0.00 -1.01 0.42 0.54 0.98 0.00 0.00 173.24 174.17 1uct s VAL 25 N -4.05 0.06 -0.06 5.02 0.11 -0.14 -4.91 120.40 116.42 1uct s VAL 25 Ca 0.27 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1uct s VAL 25 Cb 0.02 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1uct s VAL 25 CO 0.09 -0.26 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.67 1uct s LYS 26 N -2.69 2.61 0.04 1.54 2.20 -1.26 -0.73 119.74 121.45 1uct s LYS 26 Ca -0.04 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1uct s LYS 26 Cb -0.00 -2.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.97 1uct s LYS 26 CO -0.04 0.48 -0.10 0.42 -0.36 0.00 0.00 175.35 175.75 1uct s ILE 27 N -0.39 0.79 -0.03 5.43 1.01 -0.05 -0.24 121.20 127.73 1uct s ILE 27 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1uct s ILE 27 Cb -0.12 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.58 1uct s ILE 27 CO 0.02 -0.19 -0.08 -1.58 0.00 0.00 0.00 174.94 173.11 1uct s GLN 28 N -1.32 0.94 0.03 2.79 0.74 -0.33 0.22 119.66 122.73 1uct s GLN 28 Ca -0.04 -0.28 0.07 0.00 0.05 0.00 0.00 55.36 55.15 1uct s GLN 28 Cb -0.08 -0.88 -0.03 0.00 1.10 0.00 0.00 33.01 33.11 1uct s GLN 28 CO 0.01 0.09 -0.18 0.00 -0.55 0.00 0.00 175.29 174.66 1uct s GLN 30 N -1.31 4.34 0.42 0.00 0.74 -0.51 -2.89 119.66 120.47 1uct s GLN 30 Ca 0.14 2.21 -0.24 0.00 0.05 0.00 0.00 55.36 57.52 1uct s GLN 30 Cb -0.10 -3.10 -0.08 0.00 1.10 0.00 0.00 33.01 30.83 1uct s GLN 30 CO 0.04 -0.24 1.14 0.00 -0.55 0.00 0.00 175.29 175.68 1uct s ALA 31 N -0.71 3.06 -0.27 1.58 0.00 -1.26 -4.82 121.76 119.34 1uct s ALA 31 Ca 0.52 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1uct s ALA 31 Cb -0.40 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.45 1uct s ALA 31 CO 0.49 -0.51 0.03 0.42 0.00 0.00 0.00 175.76 176.18 1uct s ILE 32 N -1.52 1.29 0.36 0.00 1.01 -1.26 -5.03 121.20 116.04 1uct s ILE 32 Ca 0.60 -1.39 0.15 0.00 0.00 0.00 0.00 60.65 60.01 1uct s ILE 32 Cb -0.28 -1.80 0.35 0.00 0.01 0.00 0.00 42.46 40.74 1uct s ILE 32 CO 0.34 -0.41 1.72 0.03 0.00 0.00 0.00 174.94 176.63 1uct h ARG 33 N 7.98 0.42 0.00 2.79 3.08 -2.00 -1.40 114.38 125.25 1uct h ARG 33 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1uct h ARG 33 Cb 1.05 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1uct h ARG 33 CO 0.44 0.28 0.00 0.39 -1.07 0.00 0.00 179.97 180.01 1uct n GLU 34 N -4.82 0.74 -2.67 0.04 4.71 -1.26 -4.85 120.64 112.54 1uct n GLU 34 Ca 0.28 0.01 -0.43 0.00 -0.01 0.00 0.00 57.16 57.01 1uct n GLU 34 Cb 0.89 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.80 1uct n GLU 34 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uct s ALA 35 N -2.22 3.52 -0.28 0.62 0.00 -0.53 -4.50 121.76 118.38 1uct s ALA 35 Ca 0.38 0.31 0.25 0.00 0.00 0.00 0.00 51.96 52.90 1uct s ALA 35 Cb 0.20 -3.49 0.58 0.00 0.00 0.00 0.00 23.12 20.42 1uct s ALA 35 CO 0.38 -0.80 1.69 0.10 0.00 0.00 0.00 175.76 177.14 1uct h TYR 36 N 7.27 0.00 -3.02 0.00 -0.00 -1.42 -3.44 116.97 116.36 1uct h TYR 36 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.31 1uct h TYR 36 Cb 1.11 0.00 -0.26 0.00 0.00 0.00 0.00 36.73 37.58 1uct h TYR 36 CO 0.73 0.04 -0.39 -1.17 -0.00 0.00 0.00 178.16 177.37 1uct s LEU 37 N -6.24 0.80 -0.06 0.10 2.96 -1.23 -5.04 118.68 109.98 1uct s LEU 37 Ca 0.05 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1uct s LEU 37 Cb 0.06 0.97 0.01 0.00 0.50 0.00 0.00 46.19 47.74 1uct s LEU 37 CO 0.64 -0.11 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.55 1uct s THR 38 N 0.35 1.09 0.02 3.68 2.01 -1.26 -0.73 115.64 120.79 1uct s THR 38 Ca -0.02 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1uct s THR 38 Cb -0.03 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 1uct s THR 38 CO -0.01 0.34 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.11 1uct s GLN 39 N 0.60 0.34 -0.05 4.92 -0.21 -0.28 -4.96 119.66 120.02 1uct s GLN 39 Ca -0.13 -0.46 -0.26 0.00 0.02 0.00 0.00 55.36 54.53 1uct s GLN 39 Cb -0.15 -0.14 -0.03 0.00 1.00 0.00 0.00 33.01 33.69 1uct s GLN 39 CO 0.03 0.02 0.79 -1.17 -2.12 0.00 0.00 175.29 172.85 1uct s LEU 40 N -0.97 4.32 0.09 2.90 2.96 -1.26 0.79 118.68 127.51 1uct s LEU 40 Ca -0.08 1.33 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 1uct s LEU 40 Cb -0.07 -3.24 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1uct s LEU 40 CO -0.00 -0.18 -0.25 -0.04 -1.32 0.00 0.00 176.35 174.56 1uct s MET 41 N 0.95 1.44 -0.01 1.98 -1.94 0.23 -2.10 119.30 119.85 1uct s MET 41 Ca 0.42 -1.18 0.02 0.00 -1.71 0.00 0.00 55.69 53.24 1uct s MET 41 Cb -0.19 -1.74 -0.03 0.00 2.01 0.00 0.00 34.83 34.88 1uct s MET 41 CO 0.21 0.43 -0.04 -1.50 -0.01 0.00 0.00 175.02 174.11 1uct s ILE 42 N -0.97 3.90 -0.11 2.53 2.07 -0.56 -1.83 121.20 126.22 1uct s ILE 42 Ca 0.11 -0.64 -0.04 0.00 -1.41 0.00 0.00 60.65 58.67 1uct s ILE 42 Cb -0.10 -2.70 -0.04 0.00 0.13 0.00 0.00 42.46 39.76 1uct s ILE 42 CO 0.04 0.42 0.04 -0.63 -1.91 0.00 0.00 174.94 172.90 1uct s ILE 43 N -1.01 4.60 -0.16 2.00 1.01 0.28 -1.56 121.20 126.36 1uct s ILE 43 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1uct s ILE 43 Cb -0.11 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.42 1uct s ILE 43 CO 0.08 0.58 -0.02 -0.54 0.00 0.00 0.00 174.94 175.03 1uct s LYS 44 N -0.60 1.12 6.33 2.79 -0.14 0.29 -4.56 119.74 124.98 1uct s LYS 44 Ca 0.11 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 1uct s LYS 44 Cb -0.12 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1uct s LYS 44 CO 0.02 -0.48 0.00 0.09 -0.76 0.00 0.00 175.35 174.22 1uct n ASN 45 N 4.95 0.00 -1.06 2.83 3.02 -1.26 -0.04 115.26 123.70 1uct n ASN 45 Ca -0.10 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.42 1uct n ASN 45 Cb 0.48 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.79 1uct n ASN 45 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uct n SER 46 N 9.17 2.61 -4.42 6.41 7.64 -1.26 -5.00 113.62 128.77 1uct n SER 46 Ca 0.00 -3.78 -0.33 0.00 1.01 0.00 0.00 58.87 55.77 1uct n SER 46 Cb 0.00 -0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.60 1uct n SER 46 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uct s THR 47 N -3.54 3.11 -0.12 0.44 2.01 0.94 -5.11 115.64 113.37 1uct s THR 47 Ca 0.41 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1uct s THR 47 Cb 0.38 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1uct s THR 47 CO -0.04 0.55 0.01 -0.31 -0.69 0.00 0.00 174.62 174.14 1uct s TYR 48 N -0.09 3.17 -0.04 4.92 1.51 -1.26 -0.54 117.35 125.01 1uct s TYR 48 Ca -0.02 0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 1uct s TYR 48 Cb -0.14 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1uct s TYR 48 CO 0.04 0.32 -0.13 1.03 -1.11 0.00 0.00 175.55 175.69 1uct s ARG 49 N -0.41 1.39 0.47 -0.62 0.52 -0.60 -4.95 118.95 114.75 1uct s ARG 49 Ca 0.08 -0.45 -0.25 0.00 -0.52 0.00 0.00 55.73 54.59 1uct s ARG 49 Cb -0.12 -1.24 -0.08 0.00 0.52 0.00 0.00 34.95 34.03 1uct s ARG 49 CO 0.02 0.17 1.43 -1.21 0.02 0.00 0.00 175.30 175.73 1uct s GLU 50 N 0.15 3.60 0.09 3.54 8.01 -1.26 -1.50 118.70 131.33 1uct s GLU 50 Ca -0.04 2.43 -0.17 0.00 0.01 0.00 0.00 54.97 57.20 1uct s GLU 50 Cb -0.10 -2.60 0.03 0.00 -4.31 0.00 0.00 34.13 27.15 1uct s GLU 50 CO 0.01 -0.89 0.40 -1.50 0.01 0.00 0.00 175.26 173.29 1uct s ILE 51 N -1.21 0.07 0.00 -1.63 2.07 -0.89 -4.84 121.20 114.77 1uct s ILE 51 Ca 0.63 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1uct s ILE 51 Cb -0.44 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.07 1uct s ILE 51 CO 0.56 -0.30 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 1uct n GLY 52 N 0.09 -1.12 3.15 1.50 0.00 -1.26 -4.52 105.19 103.04 1uct n GLY 52 Ca -0.17 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1uct n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uct s ARG 53 N -1.22 2.94 0.14 1.61 3.52 -0.17 -4.92 118.95 120.85 1uct s ARG 53 Ca 0.00 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 1uct s ARG 53 Cb 0.00 -2.40 -0.07 0.00 -1.56 0.00 0.00 34.95 30.92 1uct s ARG 53 CO 0.00 -0.04 1.24 0.50 -0.81 0.00 0.00 175.30 176.19 1uct s ARG 54 N 0.89 4.44 -0.02 5.12 6.06 -1.26 -1.41 118.95 132.76 1uct s ARG 54 Ca -0.06 1.90 -0.26 0.00 -2.50 0.00 0.00 55.73 54.82 1uct s ARG 54 Cb -0.15 -3.26 -0.04 0.00 0.06 0.00 0.00 34.95 31.56 1uct s ARG 54 CO -0.03 -0.20 0.79 -0.51 -2.50 0.00 0.00 175.30 172.85 1uct s LEU 55 N 0.30 4.36 -0.39 -0.88 1.43 0.12 -4.96 118.68 118.66 1uct s LEU 55 Ca 0.56 1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 55.00 1uct s LEU 55 Cb -0.33 -3.25 0.09 0.00 0.03 0.00 0.00 46.19 42.73 1uct s LEU 55 CO 0.34 -0.12 0.17 -0.54 0.23 0.00 0.00 176.35 176.43 1uct s LYS 56 N 0.65 2.25 0.00 1.70 -0.14 -1.26 -4.69 119.74 118.25 1uct s LYS 56 Ca 0.42 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 1uct s LYS 56 Cb -0.19 -3.54 0.00 0.00 -1.68 0.00 0.00 37.83 32.42 1uct s LYS 56 CO 0.22 -0.94 0.00 2.41 -0.76 0.00 0.00 175.35 176.28 1uct n THR 61 N 4.68 0.00 -2.39 2.17 -1.04 -1.26 -5.15 114.28 111.29 1uct n THR 61 Ca -0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 1uct n THR 61 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.91 1uct n THR 61 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1uct s ASP 62 N 0.00 6.99 0.27 8.00 1.01 -1.26 -4.72 116.67 126.96 1uct s ASP 62 Ca 0.00 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.85 1uct s ASP 62 Cb 0.00 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 1uct s ASP 62 CO 0.00 -0.64 1.30 -0.81 0.21 0.00 0.00 175.17 175.23 1uct n PRO 63 N 5.37 1.92 -5.03 8.23 -0.04 -1.14 -4.73 135.00 139.58 1uct n PRO 63 Ca 0.12 0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 63.95 1uct n PRO 63 Cb 0.45 -2.26 -0.15 0.00 -0.04 0.00 0.00 33.50 31.50 1uct n PRO 63 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uct s GLU 64 N -1.03 1.88 0.17 0.54 2.02 -1.26 -1.04 118.70 119.98 1uct s GLU 64 Ca 0.63 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 54.64 1uct s GLU 64 Cb -0.64 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1uct s GLU 64 CO 0.55 0.52 -0.09 -0.06 0.02 0.00 0.00 175.26 176.20 1uct s PHE 65 N -0.73 1.36 -0.03 1.61 0.40 0.13 -0.71 117.98 120.02 1uct s PHE 65 Ca 0.11 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1uct s PHE 65 Cb -0.10 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.75 1uct s PHE 65 CO 0.01 0.09 -0.03 0.08 0.70 0.00 0.00 175.22 176.07 1uct s VAL 66 N -3.31 0.37 -0.21 -0.44 1.01 -0.50 -0.87 120.40 116.45 1uct s VAL 66 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1uct s VAL 66 Cb 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1uct s VAL 66 CO 0.02 0.17 -0.04 -0.63 0.00 0.00 0.00 175.10 174.62 1uct s ILE 67 N 0.71 3.40 0.33 2.22 1.01 0.09 -1.00 121.20 127.96 1uct s ILE 67 Ca -0.08 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1uct s ILE 67 Cb -0.11 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1uct s ILE 67 CO -0.01 0.43 0.35 -1.81 0.00 0.00 0.00 174.94 173.91 1uct s ASP 68 N 1.37 5.57 -1.00 3.58 1.01 -1.26 -0.96 116.67 124.97 1uct s ASP 68 Ca 0.04 -0.36 -0.15 0.00 0.71 0.00 0.00 52.55 52.80 1uct s ASP 68 Cb -0.14 -1.11 0.01 0.00 1.01 0.00 0.00 42.92 42.68 1uct s ASP 68 CO -0.02 -0.36 0.70 1.41 0.21 0.00 0.00 175.17 177.11 1uct n HIS 69 N -1.46 -2.00 -2.18 4.23 8.25 -0.24 -4.87 115.22 116.96 1uct n HIS 69 Ca -0.02 0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 1uct n HIS 69 Cb 0.59 -3.21 -0.03 0.00 1.12 0.00 0.00 29.99 28.47 1uct n HIS 69 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1uct s MET 70 N -5.54 4.35 0.28 -0.41 -1.94 0.15 -4.73 119.30 111.46 1uct s MET 70 Ca 0.27 2.09 0.03 0.00 -1.71 0.00 0.00 55.69 56.37 1uct s MET 70 Cb -0.12 -3.21 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 1uct s MET 70 CO 0.88 -0.34 0.16 0.16 -0.01 0.00 0.00 175.02 175.86 1uct s ASP 71 N 0.65 1.23 0.36 3.03 1.47 -1.26 0.12 116.67 122.27 1uct s ASP 71 Ca 0.60 -1.53 0.14 0.00 1.18 0.00 0.00 52.55 52.95 1uct s ASP 71 Cb -0.37 0.38 1.02 0.00 -0.34 0.00 0.00 42.92 43.61 1uct s ASP 71 CO 0.35 -0.88 1.73 0.00 0.68 0.00 0.00 175.17 177.05 1uct h ALA 72 N 2.31 2.02 0.00 2.11 0.00 -1.96 0.13 119.26 123.87 1uct h ALA 72 Ca -0.34 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1uct h ALA 72 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1uct h ALA 72 CO 0.51 -0.50 0.00 -0.91 0.00 0.00 0.00 179.25 178.36 1uct h ASN 73 N 0.46 0.00 -0.33 0.00 2.35 -1.99 -2.37 115.58 113.69 1uct h ASN 73 Ca 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.40 1uct h ASN 73 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1uct h ASN 73 CO -0.42 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.65 1uct n LYS 74 N -2.99 2.33 -3.06 0.81 5.02 0.45 -4.90 118.16 115.84 1uct n LYS 74 Ca -0.00 -2.01 -0.39 0.00 -2.02 0.00 0.00 58.31 53.88 1uct n LYS 74 Cb 0.22 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1uct n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uct s ALA 75 N -1.57 3.48 0.00 7.82 0.00 -0.89 -4.91 121.76 125.69 1uct s ALA 75 Ca 0.37 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1uct s ALA 75 Cb 0.21 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1uct s ALA 75 CO 0.30 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1uct n GLY 76 N 1.67 0.65 3.76 0.00 0.00 -0.07 -4.98 105.19 106.22 1uct n GLY 76 Ca -0.07 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 1uct n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uct s ARG 77 N -2.00 4.08 0.07 1.61 0.52 -1.26 -1.32 118.95 120.65 1uct s ARG 77 Ca 0.00 -0.08 0.08 0.00 -0.52 0.00 0.00 55.73 55.21 1uct s ARG 77 Cb 0.00 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1uct s ARG 77 CO 0.00 0.37 -0.22 0.71 0.02 0.00 0.00 175.30 176.18 1uct s TYR 78 N 0.12 1.93 -0.12 -0.53 1.51 0.14 -0.56 117.35 119.84 1uct s TYR 78 Ca 0.12 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 1uct s TYR 78 Cb -0.12 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1uct s TYR 78 CO 0.01 0.15 0.35 -0.65 -1.11 0.00 0.00 175.55 174.30 1uct s GLN 79 N -1.45 0.44 0.36 -0.62 -0.21 -0.76 -0.90 119.66 116.52 1uct s GLN 79 Ca 0.08 0.42 -0.21 0.00 0.02 0.00 0.00 55.36 55.67 1uct s GLN 79 Cb -0.09 0.21 -0.10 0.00 1.00 0.00 0.00 33.01 34.03 1uct s GLN 79 CO 0.03 -0.06 0.88 0.00 -2.12 0.00 0.00 175.29 174.01 1uct s GLN 81 N -2.73 3.18 -0.15 0.00 0.74 0.24 -1.93 119.66 119.01 1uct s GLN 81 Ca 0.55 -0.79 -0.04 0.00 0.05 0.00 0.00 55.36 55.14 1uct s GLN 81 Cb -0.12 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 1uct s GLN 81 CO 0.17 0.13 -0.03 0.71 -0.55 0.00 0.00 175.29 175.73 1uct s TYR 82 N 0.50 3.04 -0.21 1.67 1.51 0.23 -1.12 117.35 122.96 1uct s TYR 82 Ca -0.12 -0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 1uct s TYR 82 Cb -0.17 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 1uct s TYR 82 CO 0.05 0.01 0.02 1.03 -1.11 0.00 0.00 175.55 175.55 1uct s ARG 83 N 0.27 3.67 -0.12 -0.62 0.52 0.09 -1.53 118.95 121.23 1uct s ARG 83 Ca -0.03 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1uct s ARG 83 Cb -0.14 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.20 1uct s ARG 83 CO 0.03 0.00 -0.12 0.42 0.02 0.00 0.00 175.30 175.65 1uct s ILE 84 N 1.05 1.36 0.00 1.52 1.01 -0.64 -1.05 121.20 124.45 1uct s ILE 84 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1uct s ILE 84 Cb -0.14 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1uct s ILE 84 CO 0.02 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1uct n GLY 85 N 4.64 -0.53 0.21 6.18 0.00 -1.26 -3.22 105.19 111.20 1uct n GLY 85 Ca -0.16 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.89 1uct n GLY 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1uct h HIS 86 N 0.00 0.00 0.00 1.61 3.86 -2.01 -3.40 115.15 115.20 1uct h HIS 86 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uct h HIS 86 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1uct h HIS 86 CO 0.00 0.01 0.00 2.48 0.86 0.00 0.00 177.93 181.28 1uct n TYR 87 N -3.07 0.00 -4.32 2.45 0.18 -1.26 -5.10 117.16 106.04 1uct n TYR 87 Ca 0.04 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.47 1uct n TYR 87 Cb 0.54 0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.40 1uct n TYR 87 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1uct s ARG 88 N 0.00 3.41 0.05 -3.48 0.52 -1.20 -5.06 118.95 113.20 1uct s ARG 88 Ca 0.00 -0.44 0.09 0.00 -0.52 0.00 0.00 55.73 54.86 1uct s ARG 88 Cb 0.00 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 1uct s ARG 88 CO 0.00 0.46 -0.25 -0.06 0.02 0.00 0.00 175.30 175.47 1uct s PHE 89 N -0.21 2.23 0.21 -0.53 2.99 -1.26 -1.62 117.98 119.79 1uct s PHE 89 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 56.93 56.53 1uct s PHE 89 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 43.02 41.55 1uct s PHE 89 CO 0.02 0.14 0.23 -0.98 -0.00 0.00 0.00 175.22 174.63 1uct s ARG 90 N -1.31 1.30 0.17 0.44 1.70 -0.58 -4.98 118.95 115.69 1uct s ARG 90 Ca 0.11 -1.51 0.04 0.00 -0.47 0.00 0.00 55.73 53.89 1uct s ARG 90 Cb -0.10 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 1uct s ARG 90 CO 0.02 -0.46 -0.06 0.71 -1.08 0.00 0.00 175.30 174.43 1uct s TYR 91 N -4.12 1.31 0.91 5.89 1.51 -1.26 -0.60 117.35 121.00 1uct s TYR 91 Ca 0.34 -0.85 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 1uct s TYR 91 Cb 0.05 -0.71 0.19 0.00 -0.11 0.00 0.00 41.96 41.38 1uct s TYR 91 CO 0.11 -0.00 1.25 -1.54 -1.11 0.00 0.00 175.55 174.26 1uct s SER 92 N -3.20 3.32 1.18 2.29 1.04 -0.81 -4.39 113.70 113.13 1uct s SER 92 Ca 0.20 0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.53 1uct s SER 92 Cb 0.04 -0.16 0.26 0.00 0.10 0.00 0.00 66.02 66.26 1uct s SER 92 CO 0.03 -2.58 1.01 -0.67 0.98 0.00 0.00 173.24 172.01 1uct n ASP 93 N -3.57 -1.57 -4.77 7.02 -0.08 -0.29 -4.69 116.55 108.61 1uct n ASP 93 Ca 0.16 -1.16 -0.34 0.00 -1.51 0.00 0.00 54.79 51.94 1uct n ASP 93 Cb 0.60 -0.89 -0.08 0.00 2.34 0.00 0.00 41.12 43.09 1uct n ASP 93 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1uct s THR 94 N -2.92 4.74 0.09 5.18 2.01 -1.26 -4.56 115.64 118.91 1uct s THR 94 Ca 0.64 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.49 1uct s THR 94 Cb -0.05 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1uct s THR 94 CO 0.48 0.49 -0.25 -0.22 -0.69 0.00 0.00 174.62 174.43 1uct s LEU 95 N -1.32 2.34 -0.10 4.42 2.96 -0.08 -4.96 118.68 121.95 1uct s LEU 95 Ca 0.18 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1uct s LEU 95 Cb -0.12 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1uct s LEU 95 CO 0.08 0.22 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.54 1uct s GLU 96 N -1.69 3.00 -0.05 1.98 2.02 -1.26 -0.68 118.70 122.02 1uct s GLU 96 Ca 0.14 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.42 1uct s GLU 96 Cb -0.10 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 1uct s GLU 96 CO 0.05 0.32 -0.23 -0.51 0.02 0.00 0.00 175.26 174.91 1uct s LEU 97 N 0.05 2.03 0.15 1.80 1.43 -0.43 -4.71 118.68 118.99 1uct s LEU 97 Ca -0.07 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1uct s LEU 97 Cb -0.15 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1uct s LEU 97 CO 0.05 0.23 -0.20 0.68 0.23 0.00 0.00 176.35 177.35 1uct s VAL 98 N -0.20 2.68 -0.07 -1.59 -7.23 -0.50 -0.89 120.40 112.59 1uct s VAL 98 Ca -0.01 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1uct s VAL 98 Cb -0.12 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1uct s VAL 98 CO 0.02 -0.00 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.95 1uct s VAL 99 N -1.38 2.74 0.38 1.32 1.01 -0.68 -0.97 120.40 122.82 1uct s VAL 99 Ca 0.19 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1uct s VAL 99 Cb -0.09 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1uct s VAL 99 CO 0.10 0.57 0.18 0.42 0.00 0.00 0.00 175.10 176.37 1uct s THR 100 N -0.26 2.65 0.00 3.92 -4.23 0.15 -1.42 115.64 116.45 1uct s THR 100 Ca 0.01 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1uct s THR 100 Cb -0.13 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1uct s THR 100 CO 0.03 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1uct n GLY 101 N -1.23 1.00 0.67 3.99 0.00 -0.97 -1.50 105.19 107.16 1uct n GLY 101 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1uct n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uct n LEU 102 N 0.00 2.19 -3.89 0.99 7.99 -0.80 -4.71 117.00 118.76 1uct n LEU 102 Ca 0.00 -0.73 -0.09 0.00 -0.01 0.00 0.00 56.01 55.18 1uct n LEU 102 Cb 0.00 -0.01 -0.08 0.00 -0.11 0.00 0.00 43.42 43.22 1uct n LEU 102 CO 0.00 0.37 -0.14 -0.31 -1.51 0.00 0.00 177.39 175.80 1uct s TYR 103 N -2.11 0.19 0.58 -1.77 1.51 -1.26 -4.94 117.35 109.55 1uct s TYR 103 Ca 0.30 -0.58 -0.21 0.00 -1.01 0.00 0.00 57.07 55.57 1uct s TYR 103 Cb 0.20 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.91 1uct s TYR 103 CO 0.37 -0.48 1.35 0.20 -1.11 0.00 0.00 175.55 175.87 1uct s GLY 104 N -2.65 2.89 0.49 0.71 0.00 -1.26 -1.74 107.32 105.75 1uct s GLY 104 Ca 0.02 1.32 -0.21 0.00 0.00 0.00 0.00 44.72 45.85 1uct s GLY 104 CO -0.09 1.81 1.10 -1.59 0.00 0.00 0.00 173.10 174.33 1uct s LYS 105 N -3.06 3.70 0.23 2.90 -2.85 -1.26 -4.48 119.74 114.92 1uct s LYS 105 Ca 0.75 1.56 -0.02 0.00 -1.00 0.00 0.00 55.97 57.27 1uct s LYS 105 Cb -0.40 -2.20 0.05 0.00 -2.06 0.00 0.00 37.83 33.21 1uct s LYS 105 CO 0.46 -0.55 0.32 -0.35 0.10 0.00 0.00 175.35 175.33 1uct n PRO 106 N -0.83 0.14 -5.05 1.78 -0.04 -1.26 -4.94 135.00 124.80 1uct n PRO 106 Ca 0.09 -0.70 -0.28 0.00 -0.04 0.00 0.00 63.50 62.56 1uct n PRO 106 Cb 0.51 -0.26 -0.16 0.00 -0.04 0.00 0.00 33.50 33.54 1uct n PRO 106 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1uct s PHE 107 N -1.10 2.03 -0.18 0.54 5.36 0.19 -4.21 117.98 120.60 1uct s PHE 107 Ca 0.20 -0.56 -0.05 0.00 -0.96 0.00 0.00 56.93 55.56 1uct s PHE 107 Cb -0.01 -1.34 -0.03 0.00 -0.34 0.00 0.00 43.02 41.30 1uct s PHE 107 CO 0.13 -0.16 0.00 -1.17 -1.46 0.00 0.00 175.22 172.57 1uct s LEU 108 N -0.15 3.39 0.32 6.12 2.96 -1.26 -1.32 118.68 128.75 1uct s LEU 108 Ca -0.01 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1uct s LEU 108 Cb -0.12 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 1uct s LEU 108 CO 0.02 0.13 0.07 -0.94 -1.32 0.00 0.00 176.35 174.31 1uct s SER 109 N 0.63 2.19 0.18 3.68 1.04 -0.26 -4.91 113.70 116.26 1uct s SER 109 Ca -0.00 -1.41 0.08 0.00 0.48 0.00 0.00 55.95 55.09 1uct s SER 109 Cb -0.14 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 1uct s SER 109 CO 0.02 -0.67 -0.15 0.00 0.98 0.00 0.00 173.24 173.42 1uct s ALA 110 N -3.38 1.93 -2.18 5.32 0.00 -1.26 -1.05 121.76 121.14 1uct s ALA 110 Ca 0.35 -1.57 0.24 0.00 0.00 0.00 0.00 51.96 50.99 1uct s ALA 110 Cb 0.08 -0.10 0.34 0.00 0.00 0.00 0.00 23.12 23.43 1uct s ALA 110 CO 0.15 0.10 1.31 -0.40 0.00 0.00 0.00 175.76 176.93 1uct n ASP 111 N -0.10 1.88 -3.24 0.00 5.75 -0.96 -4.98 116.55 114.90 1uct n ASP 111 Ca -0.10 -1.44 -0.08 0.00 -0.01 0.00 0.00 54.79 53.16 1uct n ASP 111 Cb 0.59 0.26 0.01 0.00 -1.03 0.00 0.00 41.12 40.95 1uct n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uct s ARG 112 N -2.35 2.06 0.56 0.11 1.70 -1.26 -5.01 118.95 114.76 1uct s ARG 112 Ca 0.24 -1.27 -0.20 0.00 -0.47 0.00 0.00 55.73 54.02 1uct s ARG 112 Cb 0.19 0.61 -0.06 0.00 -0.57 0.00 0.00 34.95 35.12 1uct s ARG 112 CO 0.49 -0.96 1.06 0.41 -1.08 0.00 0.00 175.30 175.22 1uct n GLY 113 N -0.51 -0.05 0.09 3.88 0.00 -1.26 -4.92 105.19 102.42 1uct n GLY 113 Ca -0.07 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1uct n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uct n LEU 114 N -0.61 0.41 -4.43 0.99 4.77 -1.26 -4.60 117.00 112.26 1uct n LEU 114 Ca 0.12 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 1uct n LEU 114 Cb 0.45 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 1uct n LEU 114 CO 0.51 0.08 -0.05 -0.69 -1.33 0.00 0.00 177.39 175.92 1uct s VAL 115 N -2.61 5.20 0.30 4.08 1.01 -1.26 -1.36 120.40 125.76 1uct s VAL 115 Ca 0.25 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1uct s VAL 115 Cb 0.20 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1uct s VAL 115 CO 0.51 -0.38 -0.10 -0.76 0.00 0.00 0.00 175.10 174.37 1uct s LEU 116 N 1.66 2.60 0.09 3.92 1.02 0.26 -4.99 118.68 123.25 1uct s LEU 116 Ca 0.05 -1.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.03 1uct s LEU 116 Cb -0.20 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.12 1uct s LEU 116 CO 0.09 -0.23 0.26 -0.04 0.02 0.00 0.00 176.35 176.45 1uct s MET 117 N -3.65 3.48 0.28 1.70 -1.94 -1.26 -0.63 119.30 117.29 1uct s MET 117 Ca 0.30 -0.38 -0.29 0.00 -1.71 0.00 0.00 55.69 53.61 1uct s MET 117 Cb 0.02 -2.99 -0.13 0.00 2.01 0.00 0.00 34.83 33.74 1uct s MET 117 CO 0.14 0.56 1.27 -2.30 -0.01 0.00 0.00 175.02 174.68 1uct n PRO 118 N 0.13 1.88 0.00 2.03 -0.02 -1.26 -2.08 135.00 135.68 1uct n PRO 118 Ca -0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1uct n PRO 118 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1uct n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uct n GLY 119 N 1.44 3.22 3.74 -1.23 0.00 0.15 -4.93 105.19 107.58 1uct n GLY 119 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1uct n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uct s GLU 120 N -0.51 1.69 0.14 1.61 2.02 -0.88 -4.29 118.70 118.47 1uct s GLU 120 Ca 0.00 0.91 0.06 0.00 0.02 0.00 0.00 54.97 55.96 1uct s GLU 120 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1uct s GLU 120 CO 0.00 -1.97 0.04 -0.80 0.02 0.00 0.00 175.26 172.55 1uct s ASN 121 N -3.47 5.09 -0.15 -0.19 0.01 -1.26 -0.63 114.94 114.34 1uct s ASN 121 Ca 0.62 -0.23 -0.24 0.00 -0.71 0.00 0.00 52.86 52.30 1uct s ASN 121 Cb -0.17 -1.21 0.06 0.00 0.41 0.00 0.00 41.25 40.34 1uct s ASN 121 CO 0.56 0.12 0.61 -0.51 -1.51 0.00 0.00 177.10 176.37 1uct s ILE 122 N -1.58 0.01 -0.10 0.60 2.07 -1.26 -4.95 121.20 116.00 1uct s ILE 122 Ca 0.28 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.50 1uct s ILE 122 Cb -0.10 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1uct s ILE 122 CO 0.20 -0.03 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.57 1uct s SER 123 N -0.39 2.64 -0.04 4.50 0.01 -1.26 -0.61 113.70 118.56 1uct s SER 123 Ca -0.05 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 1uct s SER 123 Cb -0.03 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.95 1uct s SER 123 CO 0.04 0.09 0.14 -0.76 0.41 0.00 0.00 173.24 173.17 1uct s LEU 124 N 0.59 4.24 -0.08 2.44 1.43 -0.33 -2.26 118.68 124.72 1uct s LEU 124 Ca -0.14 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1uct s LEU 124 Cb -0.17 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.69 1uct s LEU 124 CO 0.05 0.31 -0.16 -0.89 0.23 0.00 0.00 176.35 175.88 1uct s THR 125 N -1.20 1.45 -0.15 5.49 2.01 -0.22 -0.14 115.64 122.88 1uct s THR 125 Ca 0.23 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1uct s THR 125 Cb -0.12 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1uct s THR 125 CO 0.13 0.42 -0.00 0.00 -0.69 0.00 0.00 174.62 174.48 1uct s SER 127 N 0.20 0.27 -0.03 0.00 1.04 -0.43 -1.73 113.70 113.01 1uct s SER 127 Ca 0.00 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1uct s SER 127 Cb -0.13 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1uct s SER 127 CO 0.02 -0.71 -0.05 -0.55 0.98 0.00 0.00 173.24 172.93 1uct s SER 128 N -2.94 0.88 -0.04 7.02 0.15 -1.26 0.52 113.70 118.03 1uct s SER 128 Ca 0.12 -0.12 0.21 0.00 0.70 0.00 0.00 55.95 56.85 1uct s SER 128 Cb 0.06 -0.37 0.66 0.00 -1.71 0.00 0.00 66.02 64.66 1uct s SER 128 CO -0.06 -0.02 1.56 0.00 1.20 0.00 0.00 173.24 175.91 1uct n ALA 129 N 3.80 2.60 -2.00 5.45 0.00 -1.26 -4.82 120.51 124.27 1uct n ALA 129 Ca -0.23 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1uct n ALA 129 Cb 0.52 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1uct n ALA 129 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1uct n HIS 130 N 1.44 0.00 -1.74 0.00 1.44 -1.26 -5.07 115.22 110.04 1uct n HIS 130 Ca 0.25 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.54 1uct n HIS 130 Cb 0.70 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.81 1uct n HIS 130 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1uct n ILE 131 N 0.00 1.85 -2.84 0.61 5.41 -1.26 -4.92 119.36 118.21 1uct n ILE 131 Ca 0.00 -0.46 -0.43 0.00 1.00 0.00 0.00 62.75 62.85 1uct n ILE 131 Cb 0.00 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 1uct n ILE 131 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1uct n PRO 132 N 0.74 3.72 -1.31 0.38 -0.04 -1.26 -4.78 135.00 132.45 1uct n PRO 132 Ca 0.04 -4.01 -0.37 0.00 -0.04 0.00 0.00 63.50 59.12 1uct n PRO 132 Cb 0.37 -2.80 0.04 0.00 -0.04 0.00 0.00 33.50 31.07 1uct n PRO 132 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1uct n PHE 133 N 3.62 -1.63 0.11 0.54 3.01 -1.26 -4.92 117.46 116.93 1uct n PHE 133 Ca 0.33 0.38 -0.23 0.00 1.01 0.00 0.00 57.45 58.94 1uct n PHE 133 Cb 0.38 -1.83 -0.14 0.00 -0.01 0.00 0.00 39.48 37.88 1uct n PHE 133 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1uct h ASP 134 N -0.13 0.87 -5.02 4.37 3.32 -1.59 -3.48 116.42 114.76 1uct h ASP 134 Ca -0.44 -0.84 -0.16 0.00 0.02 0.00 0.00 57.03 55.60 1uct h ASP 134 Cb 1.39 -0.28 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 1uct h ASP 134 CO 0.42 1.64 -0.68 -0.13 -1.72 0.00 0.00 179.24 178.77 1uct s ARG 135 N -2.87 0.72 0.01 3.56 1.81 -0.61 -4.51 118.95 117.06 1uct s ARG 135 Ca -0.09 -1.28 0.02 0.00 -1.72 0.00 0.00 55.73 52.66 1uct s ARG 135 Cb 0.05 0.06 -0.01 0.00 -0.45 0.00 0.00 34.95 34.60 1uct s ARG 135 CO 0.94 -0.09 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.34 1uct s PHE 136 N -3.82 0.63 0.06 -0.53 0.40 -0.16 -1.31 117.98 113.25 1uct s PHE 136 Ca 0.10 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.30 1uct s PHE 136 Cb 0.07 -0.40 -0.03 0.00 0.51 0.00 0.00 43.02 43.18 1uct s PHE 136 CO -0.07 -0.02 -0.18 -1.12 0.70 0.00 0.00 175.22 174.52 1uct s SER 137 N -0.50 2.21 -0.26 1.36 0.01 -0.26 -0.49 113.70 115.76 1uct s SER 137 Ca -0.00 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 1uct s SER 137 Cb -0.04 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1uct s SER 137 CO -0.00 0.08 0.01 -0.22 0.41 0.00 0.00 173.24 173.51 1uct s LEU 138 N -1.42 3.41 0.00 2.44 2.96 -0.22 -0.62 118.68 125.24 1uct s LEU 138 Ca 0.05 -0.68 0.01 0.00 -0.22 0.00 0.00 54.13 53.29 1uct s LEU 138 Cb -0.09 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1uct s LEU 138 CO 0.02 -0.13 0.02 0.00 -1.32 0.00 0.00 176.35 174.94 1uct s ALA 139 N 1.44 3.34 -0.18 5.97 0.00 0.28 -4.38 121.76 128.24 1uct s ALA 139 Ca 0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 1uct s ALA 139 Cb -0.16 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1uct s ALA 139 CO -0.01 0.66 -0.05 0.21 0.00 0.00 0.00 175.76 176.57 1uct s LYS 140 N -1.63 3.52 0.48 0.00 2.20 -1.26 -1.42 119.74 121.64 1uct s LYS 140 Ca 0.20 -0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 55.01 1uct s LYS 140 Cb -0.12 -2.91 -0.08 0.00 -1.51 0.00 0.00 37.83 33.21 1uct s LYS 140 CO 0.11 0.07 1.07 -1.91 -0.36 0.00 0.00 175.35 174.33 1uct n GLU 141 N 4.01 1.36 0.00 4.03 2.13 0.24 -2.41 120.64 129.99 1uct n GLU 141 Ca -0.18 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1uct n GLU 141 Cb 0.52 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1uct n GLU 141 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uct n GLY 142 N 1.11 3.01 3.76 8.31 0.00 -1.26 -4.77 105.19 115.36 1uct n GLY 142 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1uct n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uct s GLU 143 N -0.65 3.69 0.00 1.61 2.02 -1.01 -4.93 118.70 119.43 1uct s GLU 143 Ca 0.00 2.12 0.18 0.00 0.02 0.00 0.00 54.97 57.29 1uct s GLU 143 Cb 0.00 -2.55 0.21 0.00 0.10 0.00 0.00 34.13 31.89 1uct s GLU 143 CO 0.00 -0.71 1.13 1.28 0.02 0.00 0.00 175.26 176.98 1uct n LEU 144 N -0.32 2.68 -4.40 1.80 4.77 -1.26 -4.56 117.00 115.72 1uct n LEU 144 Ca 0.06 -1.19 -0.20 0.00 -0.03 0.00 0.00 56.01 54.64 1uct n LEU 144 Cb 0.45 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1uct n LEU 144 CO 0.54 0.52 -0.42 -0.44 -1.33 0.00 0.00 177.39 176.26 1uct s SER 145 N -1.40 2.84 0.72 -1.43 0.01 -1.26 -4.45 113.70 108.72 1uct s SER 145 Ca 0.24 -1.08 -0.16 0.00 1.31 0.00 0.00 55.95 56.26 1uct s SER 145 Cb 0.16 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.24 1uct s SER 145 CO 0.23 -0.19 1.25 0.18 0.41 0.00 0.00 173.24 175.11 1uct n LEU 146 N -0.50 5.31 -4.73 2.44 4.77 -1.26 -4.85 117.00 118.17 1uct n LEU 146 Ca -0.07 0.73 -0.38 0.00 -0.03 0.00 0.00 56.01 56.26 1uct n LEU 146 Cb 0.61 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 40.23 1uct n LEU 146 CO 0.37 -1.31 0.94 -0.81 -1.33 0.00 0.00 177.39 175.25 1uct n PRO 147 N -2.45 1.40 0.06 3.23 -0.04 -1.26 -4.90 135.00 131.04 1uct n PRO 147 Ca 0.15 0.53 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 1uct n PRO 147 Cb 0.49 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 1uct n PRO 147 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uct n GLN 148 N -1.46 0.58 -2.83 0.54 1.13 -1.26 -4.72 117.38 109.35 1uct n GLN 148 Ca 0.13 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 1uct n GLN 148 Cb 0.46 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 1uct n GLN 148 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1uct s HIS 149 N -3.39 2.87 0.06 1.08 3.76 -1.26 -5.00 115.29 113.41 1uct s HIS 149 Ca -0.02 0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.14 1uct s HIS 149 Cb 0.11 -4.00 -0.03 0.00 1.11 0.00 0.00 32.58 29.77 1uct s HIS 149 CO 0.82 -1.20 -0.13 -0.65 -0.85 0.00 0.00 174.74 172.73 1uct s GLN 150 N 3.83 0.75 -0.07 1.40 -0.21 -1.26 -1.05 119.66 123.05 1uct s GLN 150 Ca 0.34 -0.89 -0.24 0.00 0.02 0.00 0.00 55.36 54.59 1uct s GLN 150 Cb -0.11 -0.70 0.05 0.00 1.00 0.00 0.00 33.01 33.25 1uct s GLN 150 CO 0.23 0.15 0.54 0.45 -2.12 0.00 0.00 175.29 174.55 1uct s SER 151 N -1.65 -0.50 -0.04 5.90 0.15 0.35 -4.99 113.70 112.93 1uct s SER 151 Ca -0.04 0.59 0.18 0.00 0.70 0.00 0.00 55.95 57.38 1uct s SER 151 Cb -0.10 0.58 0.56 0.00 -1.71 0.00 0.00 66.02 65.35 1uct s SER 151 CO 0.02 -0.48 1.47 0.61 1.20 0.00 0.00 173.24 176.05 1uct n GLY 152 N 1.36 2.76 3.93 9.45 0.00 -1.26 -0.98 105.19 120.44 1uct n GLY 152 Ca -0.19 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1uct n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uct s GLU 153 N -1.34 3.46 -0.10 1.61 2.02 -1.26 -4.84 118.70 118.26 1uct s GLU 153 Ca 0.41 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.91 1uct s GLU 153 Cb 0.24 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.54 1uct s GLU 153 CO 0.24 0.53 0.02 -1.58 0.02 0.00 0.00 175.26 174.49 1uct s HIS 154 N -1.68 0.64 0.50 1.61 2.46 -1.26 -1.89 115.29 115.67 1uct s HIS 154 Ca 0.36 -0.26 -0.21 0.00 0.47 0.00 0.00 55.06 55.42 1uct s HIS 154 Cb -0.12 -0.80 -0.07 0.00 -0.13 0.00 0.00 32.58 31.46 1uct s HIS 154 CO 0.28 -0.38 1.14 -2.14 -2.47 0.00 0.00 174.74 171.17 1uct s PRO 155 N 1.98 3.58 -0.28 2.88 0.02 -1.26 -5.13 135.00 136.79 1uct s PRO 155 Ca 0.04 1.66 -0.19 0.00 0.02 0.00 0.00 61.00 62.52 1uct s PRO 155 Cb -0.13 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 1uct s PRO 155 CO -0.06 -0.67 0.59 0.00 -0.33 0.00 0.00 177.00 176.53 1uct s ALA 156 N -1.69 3.57 -0.12 -1.55 0.00 -0.71 -4.93 121.76 116.34 1uct s ALA 156 Ca 0.68 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1uct s ALA 156 Cb -0.25 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1uct s ALA 156 CO 0.30 -0.91 0.04 -0.80 0.00 0.00 0.00 175.76 174.39 1uct s ASN 157 N 1.57 5.56 -0.21 0.00 0.01 -1.26 -0.27 114.94 120.34 1uct s ASN 157 Ca 0.24 0.19 -0.00 0.00 -0.71 0.00 0.00 52.86 52.58 1uct s ASN 157 Cb -0.15 -1.73 0.05 0.00 0.41 0.00 0.00 41.25 39.84 1uct s ASN 157 CO 0.10 0.33 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.62 1uct s PHE 158 N -0.60 2.01 -0.04 2.20 0.40 0.80 -4.98 117.98 117.78 1uct s PHE 158 Ca 0.11 -1.44 -0.29 0.00 -0.60 0.00 0.00 56.93 54.71 1uct s PHE 158 Cb -0.12 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1uct s PHE 158 CO 0.02 -0.71 0.95 -1.12 0.70 0.00 0.00 175.22 175.07 1uct s SER 159 N 1.53 7.29 0.00 1.36 0.01 -1.26 -1.18 113.70 121.44 1uct s SER 159 Ca -0.03 1.57 0.15 0.00 1.31 0.00 0.00 55.95 58.95 1uct s SER 159 Cb -0.17 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.53 1uct s SER 159 CO -0.07 -0.29 0.85 0.18 0.41 0.00 0.00 173.24 174.32 1uct n LEU 160 N 4.19 1.71 0.00 2.44 4.77 0.22 -4.99 117.00 125.34 1uct n LEU 160 Ca 0.06 -0.81 -0.16 0.00 -0.03 0.00 0.00 56.01 55.07 1uct n LEU 160 Cb 0.50 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1uct n LEU 160 CO 0.51 0.32 0.27 0.61 -1.33 0.00 0.00 177.39 177.78 1uct n GLY 161 N 1.07 2.02 3.66 -0.72 0.00 -1.25 -4.24 105.19 105.73 1uct n GLY 161 Ca 0.07 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1uct n GLY 161 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uct s PRO 162 N -4.04 4.15 0.86 1.61 0.02 -1.26 -4.96 135.00 131.38 1uct s PRO 162 Ca 0.46 2.51 -0.11 0.00 0.02 0.00 0.00 61.00 63.88 1uct s PRO 162 Cb -0.04 -4.12 0.11 0.00 0.02 0.00 0.00 34.50 30.47 1uct s PRO 162 CO 0.29 -0.93 1.10 0.14 -0.33 0.00 0.00 177.00 177.27 1uct s VAL 163 N 4.36 2.81 0.32 3.83 -7.23 0.20 -4.58 120.40 120.12 1uct s VAL 163 Ca 0.85 0.26 -0.06 0.00 -1.81 0.00 0.00 61.98 61.22 1uct s VAL 163 Cb -0.40 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1uct s VAL 163 CO 0.39 -0.34 0.50 1.51 -0.31 0.00 0.00 175.10 176.85 1uct s ASP 164 N -3.21 0.56 0.58 4.85 1.47 -1.26 0.32 116.67 119.98 1uct s ASP 164 Ca 0.63 -1.32 0.29 0.00 1.18 0.00 0.00 52.55 53.34 1uct s ASP 164 Cb -0.19 0.66 1.47 0.00 -0.34 0.00 0.00 42.92 44.52 1uct s ASP 164 CO 0.57 -1.30 1.90 -0.07 0.68 0.00 0.00 175.17 176.95 1uct h LEU 165 N 2.14 0.00 -1.64 2.11 3.38 -1.97 -1.14 115.31 118.20 1uct h LEU 165 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1uct h LEU 165 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1uct h LEU 165 CO 0.39 0.00 -0.11 0.78 0.09 0.00 0.00 178.44 179.59 1uct h ASN 166 N 0.00 0.00 0.68 -0.43 4.21 -1.97 -2.95 115.58 115.11 1uct h ASN 166 Ca 0.26 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.62 1uct h ASN 166 Cb 1.27 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.45 1uct h ASN 166 CO -0.00 0.11 -0.68 0.58 -1.29 0.00 0.00 177.43 176.15 1uct h VAL 167 N 0.00 1.49 -2.74 2.81 2.07 -1.59 -3.45 116.25 114.84 1uct h VAL 167 Ca -0.00 -2.32 -0.59 0.00 0.82 0.00 0.00 66.70 64.60 1uct h VAL 167 Cb 0.48 2.25 0.12 0.00 -1.52 0.00 0.00 31.29 32.62 1uct h VAL 167 CO 0.01 0.66 0.16 -1.20 0.02 0.00 0.00 177.57 177.22 1uct n SER 168 N -3.73 1.35 0.00 0.57 7.64 -1.12 -4.85 113.62 113.48 1uct n SER 168 Ca -0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1uct n SER 168 Cb 0.67 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1uct n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uct n GLY 169 N 1.18 0.71 3.47 0.23 0.00 -0.57 -4.99 105.19 105.22 1uct n GLY 169 Ca 0.09 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1uct n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uct s ILE 170 N -1.71 4.46 -0.00 -0.61 1.01 -1.26 -1.05 121.20 122.03 1uct s ILE 170 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1uct s ILE 170 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1uct s ILE 170 CO 0.00 0.33 0.01 -0.31 0.00 0.00 0.00 174.94 174.97 1uct s TYR 171 N 1.63 3.10 0.05 3.97 1.51 0.69 -0.59 117.35 127.71 1uct s TYR 171 Ca 0.06 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1uct s TYR 171 Cb -0.15 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1uct s TYR 171 CO 0.05 0.47 -0.06 1.03 -1.11 0.00 0.00 175.55 175.93 1uct s ARG 172 N -1.58 0.53 0.25 -0.62 0.52 -0.50 -0.88 118.95 116.66 1uct s ARG 172 Ca 0.20 -0.87 0.11 0.00 -0.52 0.00 0.00 55.73 54.65 1uct s ARG 172 Cb -0.12 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 1uct s ARG 172 CO 0.11 -0.00 -0.17 0.00 0.02 0.00 0.00 175.30 175.26 1uct s TYR 174 N -2.25 1.21 0.13 0.00 1.51 0.21 -1.89 117.35 116.27 1uct s TYR 174 Ca 0.28 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1uct s TYR 174 Cb -0.06 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1uct s TYR 174 CO 0.15 0.03 -0.12 0.20 -1.11 0.00 0.00 175.55 174.70 1uct s GLY 175 N -1.06 1.75 0.30 0.71 0.00 -1.26 -1.10 107.32 106.66 1uct s GLY 175 Ca 0.02 -1.34 -0.20 0.00 0.00 0.00 0.00 44.72 43.20 1uct s GLY 175 CO 0.01 -1.34 0.76 0.66 0.00 0.00 0.00 173.10 173.19 1uct s TRP 176 N -1.35 -0.10 -0.04 1.90 1.48 -0.43 -1.10 118.94 119.30 1uct s TRP 176 Ca 0.22 -0.41 0.05 0.00 -1.06 0.00 0.00 56.10 54.90 1uct s TRP 176 Cb -0.10 0.74 -0.02 0.00 -1.16 0.00 0.00 33.47 32.93 1uct s TRP 176 CO 0.13 -1.30 -0.19 0.71 -4.06 0.00 0.00 176.95 172.25 1uct s TYR 177 N -3.41 2.57 0.43 1.66 1.51 -1.26 -1.35 117.35 117.49 1uct s TYR 177 Ca 0.12 -0.28 0.23 0.00 -1.01 0.00 0.00 57.07 56.13 1uct s TYR 177 Cb -0.05 -1.59 1.21 0.00 -0.11 0.00 0.00 41.96 41.42 1uct s TYR 177 CO 0.08 0.09 1.76 -0.91 -1.11 0.00 0.00 175.55 175.46 1uct h ASN 178 N 5.44 0.35 -0.92 2.29 2.35 -1.97 -1.56 115.58 121.56 1uct h ASN 178 Ca -0.44 0.08 0.13 0.00 -0.55 0.00 0.00 56.30 55.51 1uct h ASN 178 Cb 1.14 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.46 1uct h ASN 178 CO 0.49 0.04 0.59 0.03 -1.65 0.00 0.00 177.43 176.93 1uct h ARG 179 N 0.29 0.80 -2.62 0.81 3.08 -2.00 -3.27 114.38 111.48 1uct h ARG 179 Ca 0.62 -0.05 -0.60 0.00 0.07 0.00 0.00 59.98 60.02 1uct h ARG 179 Cb 1.75 -0.18 -0.39 0.00 0.08 0.00 0.00 29.97 31.23 1uct h ARG 179 CO -0.27 0.53 -0.84 -1.12 -1.07 0.00 0.00 179.97 177.21 1uct s SER 180 N -5.78 2.62 0.61 7.04 0.01 -0.59 -5.00 113.70 112.60 1uct s SER 180 Ca -0.11 -3.34 0.32 0.00 1.31 0.00 0.00 55.95 54.14 1uct s SER 180 Cb 0.22 -0.85 1.73 0.00 0.21 0.00 0.00 66.02 67.32 1uct s SER 180 CO 0.80 -0.14 1.96 1.55 0.41 0.00 0.00 173.24 177.82 1uct h PRO 181 N 5.57 0.00 -0.24 12.44 0.13 -1.61 -2.65 132.00 145.64 1uct h PRO 181 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1uct h PRO 181 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1uct h PRO 181 CO 0.49 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.92 1uct n TYR 182 N -2.81 0.30 -3.77 1.56 4.02 -1.26 -4.85 117.16 110.35 1uct n TYR 182 Ca -0.02 -0.23 -0.37 0.00 -0.01 0.00 0.00 57.90 57.27 1uct n TYR 182 Cb 0.26 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.45 1uct n TYR 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uct s LEU 183 N -1.18 3.74 0.36 7.72 1.43 -1.00 -1.68 118.68 128.07 1uct s LEU 183 Ca 0.25 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1uct s LEU 183 Cb 0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1uct s LEU 183 CO 0.21 -0.16 0.11 0.26 0.23 0.00 0.00 176.35 177.00 1uct s TRP 184 N 1.51 2.63 1.04 0.29 0.52 -0.50 -4.50 118.94 119.93 1uct s TRP 184 Ca 0.03 -0.46 -0.17 0.00 0.02 0.00 0.00 56.10 55.51 1uct s TRP 184 Cb -0.17 -1.70 0.23 0.00 -1.15 0.00 0.00 33.47 30.69 1uct s TRP 184 CO 0.02 0.33 1.28 -1.54 0.02 0.00 0.00 176.95 177.07 1uct s SER 185 N -3.82 2.42 0.75 2.95 1.04 -0.26 -1.91 113.70 114.88 1uct s SER 185 Ca 0.38 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.98 1uct s SER 185 Cb 0.00 -0.34 0.05 0.00 0.10 0.00 0.00 66.02 65.83 1uct s SER 185 CO 0.22 -3.17 1.13 -0.36 0.98 0.00 0.00 173.24 172.04 1uct s PHE 186 N -3.70 2.33 0.50 5.02 0.40 -0.71 -2.75 117.98 119.08 1uct s PHE 186 Ca 0.74 1.60 -0.19 0.00 -0.60 0.00 0.00 56.93 58.49 1uct s PHE 186 Cb -0.04 -3.21 -0.08 0.00 0.51 0.00 0.00 43.02 40.20 1uct s PHE 186 CO 0.54 -2.08 1.02 -1.25 0.70 0.00 0.00 175.22 174.15 1uct s PRO 187 N -4.44 3.77 1.04 0.24 0.04 -1.26 -4.31 135.00 130.08 1uct s PRO 187 Ca 0.66 1.25 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 1uct s PRO 187 Cb -0.21 -2.10 0.25 0.00 0.04 0.00 0.00 34.50 32.48 1uct s PRO 187 CO 0.50 -0.44 1.16 -1.13 0.04 0.00 0.00 177.00 177.13 1uct n SER 188 N -1.22 -0.88 -4.68 6.66 3.41 -0.79 -4.74 113.62 111.38 1uct n SER 188 Ca 0.09 -1.31 -0.37 0.00 -0.26 0.00 0.00 58.87 57.01 1uct n SER 188 Cb 0.53 -0.96 0.06 0.00 -0.26 0.00 0.00 64.21 63.58 1uct n SER 188 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1uct n ASN 189 N -4.26 1.49 -4.86 4.04 6.94 -1.26 -4.67 115.26 112.68 1uct n ASN 189 Ca 0.15 0.82 -0.37 0.00 -0.02 0.00 0.00 54.58 55.16 1uct n ASN 189 Cb 0.55 -1.48 -0.06 0.00 -2.36 0.00 0.00 39.78 36.43 1uct n ASN 189 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1uct s ALA 190 N -1.44 3.78 -0.11 -2.53 0.00 -1.26 -4.53 121.76 115.66 1uct s ALA 190 Ca 0.80 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1uct s ALA 190 Cb -0.40 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1uct s ALA 190 CO 0.43 0.56 -0.20 -0.51 0.00 0.00 0.00 175.76 176.04 1uct s LEU 191 N -1.23 2.33 -0.28 0.00 1.43 -0.06 -4.94 118.68 115.93 1uct s LEU 191 Ca 0.22 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1uct s LEU 191 Cb -0.14 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1uct s LEU 191 CO 0.11 0.16 0.16 -0.70 0.23 0.00 0.00 176.35 176.30 1uct s GLU 192 N 0.37 3.81 -0.12 1.70 2.12 -1.26 -0.22 118.70 125.10 1uct s GLU 192 Ca -0.15 -0.40 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 1uct s GLU 192 Cb -0.17 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1uct s GLU 192 CO 0.07 -0.21 0.19 -0.51 -0.54 0.00 0.00 175.26 174.27 1uct s LEU 193 N 1.71 4.36 -0.08 2.70 1.02 -0.22 -4.81 118.68 123.35 1uct s LEU 193 Ca 0.07 0.51 0.01 0.00 0.02 0.00 0.00 54.13 54.73 1uct s LEU 193 Cb -0.16 -2.18 0.02 0.00 0.02 0.00 0.00 46.19 43.89 1uct s LEU 193 CO 0.09 0.33 -0.10 -0.69 0.02 0.00 0.00 176.35 175.99 1uct s VAL 194 N -0.66 1.10 -0.17 -1.59 1.01 -0.46 -1.51 120.40 118.12 1uct s VAL 194 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1uct s VAL 194 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1uct s VAL 194 CO 0.04 0.36 -0.04 0.68 0.00 0.00 0.00 175.10 176.15 1uct s VAL 195 N 1.06 3.78 0.00 2.92 -7.23 -1.26 -0.57 120.40 119.10 1uct s VAL 195 Ca -0.07 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1uct s VAL 195 Cb -0.15 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1uct s VAL 195 CO -0.01 0.47 0.00 0.41 -0.31 0.00 0.00 175.10 175.66