#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s VAL 5 N 0.00 2.58 -0.12 0.44 1.01 -1.26 -5.00 120.40 118.05 3ag3 s VAL 5 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 3ag3 s VAL 5 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3ag3 s VAL 5 CO 0.00 0.00 0.46 -0.69 0.00 0.00 0.00 175.10 174.87 3ag3 s VAL 6 N 2.48 5.20 0.30 2.92 1.01 -1.26 -5.07 120.40 125.98 3ag3 s VAL 6 Ca 0.78 0.91 0.09 0.00 0.00 0.00 0.00 61.98 63.77 3ag3 s VAL 6 Cb -0.45 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3ag3 s VAL 6 CO 0.35 0.33 0.02 -0.54 0.00 0.00 0.00 175.10 175.26 3ag3 s LYS 7 N 0.60 2.21 0.35 2.72 1.02 -1.26 -5.00 119.74 120.38 3ag3 s LYS 7 Ca 0.25 -1.56 0.05 0.00 0.02 0.00 0.00 55.97 54.73 3ag3 s LYS 7 Cb -0.15 -2.07 0.64 0.00 -0.52 0.00 0.00 37.83 35.73 3ag3 s LYS 7 CO 0.10 0.24 1.90 0.77 -0.92 0.00 0.00 175.35 177.44 3ag3 h SER 8 N 1.82 0.48 0.52 2.83 0.02 -2.04 -1.60 113.55 115.57 3ag3 h SER 8 Ca -0.43 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3ag3 h SER 8 Cb 1.25 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3ag3 h SER 8 CO 0.63 0.53 -0.02 -1.84 -1.14 0.00 0.00 176.83 174.98 3ag3 n GLU 9 N -4.31 0.49 -0.11 3.45 0.00 -1.26 -2.05 120.64 116.85 3ag3 n GLU 9 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 57.16 57.17 3ag3 n GLU 9 Cb 0.22 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.23 3ag3 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ag3 n ASP 10 N -1.23 1.16 0.17 -1.84 8.00 -0.60 -4.61 116.55 117.61 3ag3 n ASP 10 Ca 0.15 -2.06 0.07 0.00 0.71 0.00 0.00 54.79 53.66 3ag3 n ASP 10 Cb 0.24 -0.23 0.57 0.00 -0.02 0.00 0.00 41.12 41.67 3ag3 n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3ag3 h TYR 11 N 0.87 0.18 -0.00 1.24 -0.00 -1.58 -2.28 116.97 115.39 3ag3 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3ag3 h TYR 11 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 37.05 3ag3 h TYR 11 CO 0.14 0.11 -0.01 0.00 -0.00 0.00 0.00 178.16 178.40 3ag3 n ALA 12 N -2.52 2.66 -2.92 0.10 0.00 -1.26 -4.85 120.51 111.71 3ag3 n ALA 12 Ca -0.01 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 3ag3 n ALA 12 Cb 0.08 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 3ag3 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag3 s LEU 13 N -2.05 4.34 0.41 0.00 1.43 -0.86 -5.06 118.68 116.89 3ag3 s LEU 13 Ca 0.43 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 3ag3 s LEU 13 Cb 0.21 -2.96 -0.11 0.00 0.03 0.00 0.00 46.19 43.37 3ag3 s LEU 13 CO 0.37 0.11 1.04 -2.65 0.23 0.00 0.00 176.35 175.45 3ag3 n PRO 14 N -0.10 1.42 -4.45 1.29 -0.02 -1.26 -5.00 135.00 126.88 3ag3 n PRO 14 Ca -0.06 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.72 3ag3 n PRO 14 Cb 0.52 -2.07 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 3ag3 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ag3 s SER 15 N -0.70 2.38 0.13 2.55 1.04 -1.26 -4.90 113.70 112.93 3ag3 s SER 15 Ca 0.63 -1.37 -0.19 0.00 0.48 0.00 0.00 55.95 55.49 3ag3 s SER 15 Cb -0.56 -0.09 -0.07 0.00 0.10 0.00 0.00 66.02 65.40 3ag3 s SER 15 CO 0.57 -0.60 0.62 -0.47 0.98 0.00 0.00 173.24 174.35 3ag3 s TYR 16 N -3.29 3.76 -0.03 5.02 5.04 -1.26 -4.04 117.35 122.54 3ag3 s TYR 16 Ca 0.36 1.31 -0.05 0.00 -2.44 0.00 0.00 57.07 56.25 3ag3 s TYR 16 Cb 0.09 -2.53 0.01 0.00 0.35 0.00 0.00 41.96 39.87 3ag3 s TYR 16 CO 0.15 0.50 0.13 0.14 -1.34 0.00 0.00 175.55 175.13 3ag3 s VAL 17 N -1.26 0.03 -0.43 3.14 -7.23 -1.26 -5.05 120.40 108.33 3ag3 s VAL 17 Ca 0.34 -0.21 -0.13 0.00 -1.81 0.00 0.00 61.98 60.17 3ag3 s VAL 17 Cb -0.19 -0.26 0.06 0.00 0.56 0.00 0.00 36.38 36.56 3ag3 s VAL 17 CO 0.20 -0.12 0.31 -1.81 -0.31 0.00 0.00 175.10 173.38 3ag3 s ASP 18 N -0.36 5.91 -0.03 4.85 -0.00 -1.26 -4.65 116.67 121.13 3ag3 s ASP 18 Ca -0.04 -1.31 0.01 0.00 -0.00 0.00 0.00 52.55 51.20 3ag3 s ASP 18 Cb -0.03 -2.09 0.02 0.00 -0.00 0.00 0.00 42.92 40.82 3ag3 s ASP 18 CO 0.00 -0.56 -0.00 -0.13 -0.00 0.00 0.00 175.17 174.48 3ag3 s ARG 19 N 1.56 0.32 0.38 8.23 0.52 -1.26 -5.04 118.95 123.66 3ag3 s ARG 19 Ca 0.03 0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.36 3ag3 s ARG 19 Cb -0.23 -0.48 0.79 0.00 0.52 0.00 0.00 34.95 35.56 3ag3 s ARG 19 CO 0.05 -0.12 1.99 0.00 0.02 0.00 0.00 175.30 177.25 3ag3 h ARG 20 N 7.15 0.66 -0.08 3.54 3.08 -1.98 -0.49 114.38 126.27 3ag3 h ARG 20 Ca -0.42 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3ag3 h ARG 20 Cb 1.14 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3ag3 h ARG 20 CO 0.48 0.44 0.00 -0.40 -1.07 0.00 0.00 179.97 179.42 3ag3 n ASP 21 N -4.47 1.89 -3.23 7.04 5.75 -1.26 -4.17 116.55 118.10 3ag3 n ASP 21 Ca 0.09 -1.66 -0.24 0.00 -0.01 0.00 0.00 54.79 52.96 3ag3 n ASP 21 Cb 0.19 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.17 3ag3 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ag3 n TYR 22 N 0.47 0.52 0.26 2.11 9.36 -0.19 -5.01 117.16 124.68 3ag3 n TYR 22 Ca 0.18 -3.70 0.14 0.00 3.32 0.00 0.00 57.90 57.83 3ag3 n TYR 22 Cb 0.40 -0.40 0.68 0.00 -0.63 0.00 0.00 39.34 39.40 3ag3 n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ag3 h PRO 23 N 3.92 0.00 -3.52 2.98 0.13 -1.72 -3.35 132.00 130.43 3ag3 h PRO 23 Ca 0.10 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.54 3ag3 h PRO 23 Cb 0.84 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.61 3ag3 h PRO 23 CO 0.54 0.11 -0.39 -0.51 -0.23 0.00 0.00 178.00 177.52 3ag3 s LEU 24 N -6.74 5.11 1.07 1.56 1.43 -1.26 -4.97 118.68 114.88 3ag3 s LEU 24 Ca -0.01 -2.92 -0.13 0.00 -1.03 0.00 0.00 54.13 50.04 3ag3 s LEU 24 Cb 0.11 -1.82 0.23 0.00 0.03 0.00 0.00 46.19 44.73 3ag3 s LEU 24 CO 0.57 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.73 3ag3 s PRO 25 N -0.16 -0.15 0.38 1.29 0.04 -1.26 -4.93 135.00 130.22 3ag3 s PRO 25 Ca 0.17 0.55 0.27 0.00 0.04 0.00 0.00 61.00 62.03 3ag3 s PRO 25 Cb -0.21 -1.67 0.91 0.00 0.04 0.00 0.00 34.50 33.58 3ag3 s PRO 25 CO -0.03 -3.13 1.78 -0.44 0.04 0.00 0.00 177.00 175.23 3ag3 h ASP 26 N -2.18 0.00 -5.04 6.66 3.32 -1.93 -3.45 116.42 113.80 3ag3 h ASP 26 Ca -0.57 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.27 3ag3 h ASP 26 Cb 1.34 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.74 3ag3 h ASP 26 CO 0.55 0.00 -0.66 0.68 -1.72 0.00 0.00 179.24 178.09 3ag3 s VAL 27 N -3.35 0.35 0.47 -1.35 -7.23 -1.26 -4.97 120.40 103.05 3ag3 s VAL 27 Ca 0.05 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.10 3ag3 s VAL 27 Cb 0.09 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 3ag3 s VAL 27 CO 0.55 -0.61 1.00 0.00 -0.31 0.00 0.00 175.10 175.73 3ag3 s ALA 28 N -3.87 2.95 0.21 1.32 0.00 -1.26 -4.78 121.76 116.33 3ag3 s ALA 28 Ca 0.20 0.50 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 3ag3 s ALA 28 Cb 0.07 -3.20 0.27 0.00 0.00 0.00 0.00 23.12 20.26 3ag3 s ALA 28 CO -0.00 -0.13 1.77 1.25 0.00 0.00 0.00 175.76 178.64 3ag3 h HIS 29 N 1.66 0.53 -3.54 0.00 2.76 -0.58 -3.40 115.15 112.58 3ag3 h HIS 29 Ca -0.49 0.03 -0.67 0.00 -2.20 0.00 0.00 60.37 57.04 3ag3 h HIS 29 Cb 1.20 -0.14 -0.27 0.00 1.55 0.00 0.00 27.41 29.75 3ag3 h HIS 29 CO 0.59 0.20 -0.67 0.08 -1.30 0.00 0.00 177.93 176.83 3ag3 s VAL 30 N -6.09 3.67 -0.15 5.26 1.01 -0.66 -4.88 120.40 118.56 3ag3 s VAL 30 Ca -0.13 -0.65 0.17 0.00 0.00 0.00 0.00 61.98 61.37 3ag3 s VAL 30 Cb 0.17 -2.82 -0.24 0.00 0.00 0.00 0.00 36.38 33.49 3ag3 s VAL 30 CO 0.75 0.21 0.26 2.29 0.00 0.00 0.00 175.10 178.61 3ag3 n LYS 31 N 4.82 0.67 -3.70 2.72 2.85 -1.26 -4.87 118.16 119.40 3ag3 n LYS 31 Ca -0.16 0.07 -0.37 0.00 -1.05 0.00 0.00 58.31 56.80 3ag3 n LYS 31 Cb 0.49 -1.60 -0.11 0.00 -0.65 0.00 0.00 35.03 33.16 3ag3 n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3ag3 s ASN 32 N -5.62 5.74 0.00 -5.58 0.02 -1.26 -5.07 114.94 103.18 3ag3 s ASN 32 Ca -0.08 -0.03 -0.03 0.00 -1.02 0.00 0.00 52.86 51.70 3ag3 s ASN 32 Cb 0.07 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 39.25 3ag3 s ASN 32 CO 0.83 0.00 0.19 -0.76 0.02 0.00 0.00 177.10 177.39 3ag3 s LEU 33 N 1.42 4.37 0.96 0.60 1.43 -1.26 -4.99 118.68 121.21 3ag3 s LEU 33 Ca 0.06 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 3ag3 s LEU 33 Cb -0.15 -2.67 0.17 0.00 0.03 0.00 0.00 46.19 43.56 3ag3 s LEU 33 CO 0.06 0.25 1.09 -0.94 0.23 0.00 0.00 176.35 177.04 3ag3 s SER 34 N -2.01 2.85 0.23 2.29 1.04 -1.26 -4.78 113.70 112.07 3ag3 s SER 34 Ca 0.28 1.53 -0.08 0.00 0.48 0.00 0.00 55.95 58.17 3ag3 s SER 34 Cb -0.13 -2.20 0.20 0.00 0.10 0.00 0.00 66.02 64.00 3ag3 s SER 34 CO 0.20 -3.04 1.86 0.00 0.98 0.00 0.00 173.24 173.25 3ag3 h ALA 35 N -1.82 1.12 -0.53 5.32 0.00 -1.99 0.11 119.26 121.48 3ag3 h ALA 35 Ca -0.52 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3ag3 h ALA 35 Cb 1.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3ag3 h ALA 35 CO 0.53 0.60 -0.00 0.66 0.00 0.00 0.00 179.25 181.04 3ag3 h SER 36 N 1.22 0.91 -0.65 0.00 4.64 -1.99 -1.50 113.55 116.17 3ag3 h SER 36 Ca 0.31 -0.31 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3ag3 h SER 36 Cb -0.02 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.76 3ag3 h SER 36 CO -0.06 1.00 0.33 1.56 -0.87 0.00 0.00 176.83 178.80 3ag3 h GLN 37 N 0.80 0.58 -0.56 4.77 4.20 -1.87 0.47 115.11 123.50 3ag3 h GLN 37 Ca 0.15 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3ag3 h GLN 37 Cb 0.53 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3ag3 h GLN 37 CO 0.03 0.38 0.21 0.87 -0.67 0.00 0.00 178.83 179.65 3ag3 h LYS 38 N 0.60 0.82 -0.01 1.46 1.57 -0.60 -1.15 116.57 119.26 3ag3 h LYS 38 Ca 0.30 -0.13 -0.24 0.00 -1.87 0.00 0.00 60.65 58.71 3ag3 h LYS 38 Cb 0.25 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ag3 h LYS 38 CO -0.22 0.69 -0.97 0.00 -0.57 0.00 0.00 179.45 178.38 3ag3 h ALA 39 N 1.42 0.28 -0.59 3.86 0.00 -0.08 -2.58 119.26 121.58 3ag3 h ALA 39 Ca 0.19 -0.70 0.12 0.00 0.00 0.00 0.00 54.91 54.52 3ag3 h ALA 39 Cb 0.19 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 3ag3 h ALA 39 CO -0.01 0.76 -0.02 1.25 0.00 0.00 0.00 179.25 181.23 3ag3 h LEU 40 N 0.30 -0.29 -1.80 0.00 5.85 0.24 0.39 115.31 120.01 3ag3 h LEU 40 Ca -0.10 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3ag3 h LEU 40 Cb 1.61 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 3ag3 h LEU 40 CO 0.18 -0.11 0.20 0.11 -0.34 0.00 0.00 178.44 178.47 3ag3 h LYS 41 N 0.10 0.25 -0.05 1.25 1.79 -1.14 0.17 116.57 118.95 3ag3 h LYS 41 Ca 0.30 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.70 3ag3 h LYS 41 Cb 0.48 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3ag3 h LYS 41 CO -0.51 0.17 -0.17 0.93 -1.08 0.00 0.00 179.45 178.78 3ag3 h GLU 42 N 0.26 0.20 -0.97 3.15 4.39 -0.80 -3.23 114.58 117.59 3ag3 h GLU 42 Ca 0.13 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.80 3ag3 h GLU 42 Cb 0.18 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 3ag3 h GLU 42 CO -0.02 0.78 0.61 -0.22 -1.16 0.00 0.00 179.01 179.00 3ag3 h LYS 43 N -0.33 0.86 -0.10 2.33 3.64 0.84 -1.57 116.57 122.23 3ag3 h LYS 43 Ca -0.01 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3ag3 h LYS 43 Cb 0.80 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3ag3 h LYS 43 CO 0.04 0.57 0.29 1.49 -2.27 0.00 0.00 179.45 179.57 3ag3 h GLU 44 N 0.88 0.00 0.00 1.90 4.81 -0.72 0.43 114.58 121.88 3ag3 h GLU 44 Ca 0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 3ag3 h GLU 44 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3ag3 h GLU 44 CO -0.25 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.66 3ag3 n LYS 45 N -3.20 0.09 -2.42 1.92 5.02 -0.59 -4.79 118.16 114.19 3ag3 n LYS 45 Ca 0.00 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 3ag3 n LYS 45 Cb 0.38 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.93 3ag3 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ag3 n ALA 46 N -1.45 0.81 -1.68 7.82 0.00 0.15 -5.02 120.51 121.14 3ag3 n ALA 46 Ca 0.08 -1.44 -0.45 0.00 0.00 0.00 0.00 53.44 51.64 3ag3 n ALA 46 Cb 0.30 0.41 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 3ag3 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ag3 n SER 47 N -2.47 2.89 0.23 0.00 2.88 -1.26 -4.84 113.62 111.05 3ag3 n SER 47 Ca 0.10 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.92 3ag3 n SER 47 Cb 0.41 -1.44 0.59 0.00 -0.75 0.00 0.00 64.21 63.02 3ag3 n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3ag3 h TRP 48 N 4.57 0.00 0.00 0.66 6.55 -1.90 -2.18 115.95 123.65 3ag3 h TRP 48 Ca -0.45 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.39 3ag3 h TRP 48 Cb 1.27 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.57 3ag3 h TRP 48 CO 0.58 0.00 -0.01 0.77 -1.05 0.00 0.00 178.44 178.72 3ag3 h SER 49 N 0.00 0.00 0.19 -3.49 0.02 -2.00 -2.12 113.55 106.14 3ag3 h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ag3 h SER 49 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3ag3 h SER 49 CO 0.00 0.01 -0.03 -1.20 -1.14 0.00 0.00 176.83 174.48 3ag3 n SER 50 N -3.53 0.31 -4.85 3.07 7.64 -0.82 -4.86 113.62 110.58 3ag3 n SER 50 Ca -0.03 -0.81 -0.34 0.00 1.01 0.00 0.00 58.87 58.70 3ag3 n SER 50 Cb 0.10 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 3ag3 n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ag3 s LEU 51 N -2.21 4.24 0.77 -3.43 1.02 -0.80 -5.06 118.68 113.21 3ag3 s LEU 51 Ca 0.39 1.13 -0.09 0.00 0.02 0.00 0.00 54.13 55.58 3ag3 s LEU 51 Cb 0.21 -3.59 0.09 0.00 0.02 0.00 0.00 46.19 42.92 3ag3 s LEU 51 CO 0.41 -0.02 1.10 -0.94 0.02 0.00 0.00 176.35 176.92 3ag3 s SER 52 N -1.99 4.43 0.24 2.29 1.04 -1.26 -4.84 113.70 113.62 3ag3 s SER 52 Ca 0.44 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 57.25 3ag3 s SER 52 Cb -0.13 -0.91 0.41 0.00 0.10 0.00 0.00 66.02 65.48 3ag3 s SER 52 CO 0.20 -1.87 1.79 0.40 0.98 0.00 0.00 173.24 174.74 3ag3 h ILE 53 N -0.86 0.85 -0.08 -1.02 1.08 -1.98 0.59 117.51 116.10 3ag3 h ILE 53 Ca -0.44 -0.24 -0.14 0.00 -0.39 0.00 0.00 64.86 63.65 3ag3 h ILE 53 Cb 1.30 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 3ag3 h ILE 53 CO 0.56 0.13 -0.57 0.44 -0.69 0.00 0.00 178.15 178.02 3ag3 h ASP 54 N 0.70 0.27 -0.13 1.72 3.45 -1.99 -0.16 116.42 120.28 3ag3 h ASP 54 Ca 0.40 -0.15 -0.14 0.00 0.43 0.00 0.00 57.03 57.57 3ag3 h ASP 54 Cb 0.42 -0.08 0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3ag3 h ASP 54 CO -0.28 0.78 -0.49 -0.33 -1.57 0.00 0.00 179.24 177.36 3ag3 h GLU 55 N 0.18 0.55 -0.70 3.56 5.08 -1.76 -1.09 114.58 120.40 3ag3 h GLU 55 Ca -0.00 -0.43 0.12 0.00 -1.00 0.00 0.00 59.36 58.05 3ag3 h GLU 55 Cb 1.06 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 3ag3 h GLU 55 CO 0.09 1.05 0.28 0.87 -1.00 0.00 0.00 179.01 180.30 3ag3 h LYS 56 N 0.18 0.44 -0.64 2.33 1.57 -0.61 0.10 116.57 119.94 3ag3 h LYS 56 Ca -0.02 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3ag3 h LYS 56 Cb 1.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 3ag3 h LYS 56 CO 0.10 0.29 0.11 0.28 -0.57 0.00 0.00 179.45 179.66 3ag3 h VAL 57 N 0.45 1.26 -0.36 0.50 2.07 -0.92 -1.25 116.25 118.00 3ag3 h VAL 57 Ca 0.37 -0.99 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 3ag3 h VAL 57 Cb 0.51 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ag3 h VAL 57 CO -0.36 0.37 -0.34 -0.08 0.02 0.00 0.00 177.57 177.19 3ag3 h GLU 58 N 0.98 0.81 -0.60 1.57 4.22 -0.56 -0.38 114.58 120.62 3ag3 h GLU 58 Ca 0.20 -0.39 -0.04 0.00 0.08 0.00 0.00 59.36 59.21 3ag3 h GLU 58 Cb 0.41 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ag3 h GLU 58 CO 0.01 1.02 0.20 -0.07 -2.18 0.00 0.00 179.01 178.00 3ag3 h LEU 59 N 0.67 0.82 -0.07 1.64 3.38 -0.61 -1.24 115.31 119.90 3ag3 h LEU 59 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ag3 h LEU 59 Cb 0.89 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ag3 h LEU 59 CO 0.08 0.76 0.04 0.22 0.09 0.00 0.00 178.44 179.63 3ag3 h TYR 60 N 0.87 0.10 0.00 1.13 3.20 -1.02 -2.71 116.97 118.55 3ag3 h TYR 60 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3ag3 h TYR 60 Cb 0.22 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3ag3 h TYR 60 CO 0.01 0.15 0.00 0.00 -1.64 0.00 0.00 178.16 176.69 3ag3 h ARG 61 N 0.02 0.00 0.02 1.82 2.47 -0.59 0.01 114.38 118.13 3ag3 h ARG 61 Ca 0.03 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.52 3ag3 h ARG 61 Cb 0.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3ag3 h ARG 61 CO -0.00 0.00 -1.07 -0.07 0.56 0.00 0.00 179.97 179.39 3ag3 h LEU 62 N 0.00 0.07 0.10 3.04 3.38 -1.05 -3.35 115.31 117.51 3ag3 h LEU 62 Ca 0.00 -0.08 -0.31 0.00 0.09 0.00 0.00 57.88 57.58 3ag3 h LEU 62 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ag3 h LEU 62 CO 0.00 1.06 -1.59 0.50 0.09 0.00 0.00 178.44 178.50 3ag3 h LYS 63 N 0.01 0.22 -5.91 1.13 1.63 -0.93 -1.74 116.57 110.99 3ag3 h LYS 63 Ca -0.04 -0.38 -0.51 0.00 -0.85 0.00 0.00 60.65 58.87 3ag3 h LYS 63 Cb 1.81 0.14 -0.21 0.00 -0.60 0.00 0.00 32.23 33.37 3ag3 h LYS 63 CO 0.14 1.06 -0.81 -0.06 -3.45 0.00 0.00 179.45 176.33 3ag3 s PHE 64 N -2.61 1.64 -0.06 1.91 0.40 -0.12 -0.26 117.98 118.87 3ag3 s PHE 64 Ca -0.10 -0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 3ag3 s PHE 64 Cb 0.07 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 3ag3 s PHE 64 CO 0.84 0.19 -0.07 -0.22 0.70 0.00 0.00 175.22 176.66 3ag3 h LYS 65 N 3.97 0.00 -6.06 0.44 3.64 -1.86 -3.39 116.57 113.31 3ag3 h LYS 65 Ca -0.44 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.27 3ag3 h LYS 65 Cb 1.19 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 3ag3 h LYS 65 CO 0.42 0.00 -0.62 -1.21 -2.27 0.00 0.00 179.45 175.77 3ag3 s GLU 66 N -1.52 2.91 0.91 1.90 2.02 -1.26 -4.97 118.70 118.69 3ag3 s GLU 66 Ca -0.06 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.30 3ag3 s GLU 66 Cb 0.01 -2.75 0.14 0.00 0.10 0.00 0.00 34.13 31.62 3ag3 s GLU 66 CO 0.08 0.65 1.10 -1.54 0.02 0.00 0.00 175.26 175.58 3ag3 s SER 67 N -1.39 3.42 0.19 -0.19 1.04 -1.26 -4.80 113.70 110.71 3ag3 s SER 67 Ca 0.18 1.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.80 3ag3 s SER 67 Cb -0.12 -1.97 0.18 0.00 0.10 0.00 0.00 66.02 64.21 3ag3 s SER 67 CO 0.09 -2.65 1.81 -0.26 0.98 0.00 0.00 173.24 173.21 3ag3 h PHE 68 N -1.56 0.62 -0.61 5.02 -1.00 -2.00 -0.14 116.94 117.27 3ag3 h PHE 68 Ca -0.51 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.37 3ag3 h PHE 68 Cb 1.30 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 40.61 3ag3 h PHE 68 CO 0.38 0.32 0.29 0.00 -1.61 0.00 0.00 178.31 177.68 3ag3 h ALA 69 N 1.30 0.80 -0.34 2.45 0.00 -1.97 -0.80 119.26 120.70 3ag3 h ALA 69 Ca 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ag3 h ALA 69 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ag3 h ALA 69 CO -0.15 -0.08 -0.04 0.93 0.00 0.00 0.00 179.25 179.91 3ag3 h GLU 70 N 0.53 0.63 0.00 0.00 5.08 -1.82 -3.06 114.58 115.93 3ag3 h GLU 70 Ca 0.29 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3ag3 h GLU 70 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ag3 h GLU 70 CO -0.23 0.77 -0.31 0.00 -1.00 0.00 0.00 179.01 178.24 3ag3 h MET 71 N 0.43 0.00 -0.08 2.33 -0.00 -0.80 -2.71 114.93 114.10 3ag3 h MET 71 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.79 3ag3 h MET 71 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 3ag3 h MET 71 CO 0.03 0.31 0.00 0.09 -0.00 0.00 0.00 176.91 177.34 3ag3 n ASN 72 N -3.32 1.47 -4.75 -0.10 3.02 -0.32 -4.97 115.26 106.27 3ag3 n ASN 72 Ca 0.01 -1.57 -0.37 0.00 -0.03 0.00 0.00 54.58 52.62 3ag3 n ASN 72 Cb 0.55 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 3ag3 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ag3 s ARG 73 N -1.91 3.17 0.59 3.52 1.70 -1.02 -5.02 118.95 119.98 3ag3 s ARG 73 Ca 0.36 2.02 -0.09 0.00 -0.47 0.00 0.00 55.73 57.55 3ag3 s ARG 73 Cb 0.19 -2.17 -0.03 0.00 -0.57 0.00 0.00 34.95 32.37 3ag3 s ARG 73 CO 0.30 -1.10 0.96 -1.54 -1.08 0.00 0.00 175.30 172.84 3ag3 s SER 74 N -1.24 6.11 0.33 -2.89 1.04 -1.26 -5.10 113.70 110.70 3ag3 s SER 74 Ca 0.72 1.19 0.03 0.00 0.48 0.00 0.00 55.95 58.38 3ag3 s SER 74 Cb -0.35 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 3ag3 s SER 74 CO 0.41 -0.85 0.11 0.42 0.98 0.00 0.00 173.24 174.31 3ag3 s THR 75 N -3.06 0.67 -1.55 2.02 -4.23 -1.26 -5.03 115.64 103.20 3ag3 s THR 75 Ca 0.53 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 3ag3 s THR 75 Cb -0.11 -2.56 0.43 0.00 1.34 0.00 0.00 72.50 71.61 3ag3 s THR 75 CO 0.50 0.00 1.31 0.59 -0.54 0.00 0.00 174.62 176.49 3ag3 n ASN 76 N -0.91 2.89 0.10 3.99 3.02 -1.26 -4.45 115.26 118.65 3ag3 n ASN 76 Ca -0.02 -2.18 0.05 0.00 -0.03 0.00 0.00 54.58 52.41 3ag3 n ASN 76 Cb 0.66 -0.40 0.50 0.00 -0.61 0.00 0.00 39.78 39.92 3ag3 n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ag3 h GLU 77 N 2.60 0.34 -0.26 3.52 4.81 -2.01 -1.49 114.58 122.09 3ag3 h GLU 77 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3ag3 h GLU 77 Cb 0.86 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3ag3 h GLU 77 CO 0.09 0.24 0.18 0.11 -0.73 0.00 0.00 179.01 178.90 3ag3 h TRP 78 N 0.34 0.13 -0.34 0.92 5.08 -2.00 -0.46 115.95 119.63 3ag3 h TRP 78 Ca 0.09 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.99 3ag3 h TRP 78 Cb -0.01 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 3ag3 h TRP 78 CO 0.00 0.07 -0.09 0.87 -1.28 0.00 0.00 178.44 178.02 3ag3 h LYS 79 N 0.13 0.66 -0.54 0.12 1.57 -1.62 -0.04 116.57 116.85 3ag3 h LYS 79 Ca 0.11 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3ag3 h LYS 79 Cb 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3ag3 h LYS 79 CO -0.02 0.83 -0.03 1.15 -0.57 0.00 0.00 179.45 180.82 3ag3 h THR 80 N 0.44 1.27 0.22 -0.16 2.02 -1.37 -0.67 112.91 114.66 3ag3 h THR 80 Ca 0.08 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 3ag3 h THR 80 Cb 0.59 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3ag3 h THR 80 CO 0.03 0.41 -0.11 0.58 0.37 0.00 0.00 175.52 176.81 3ag3 h VAL 81 N 0.85 0.84 -0.28 3.16 2.07 -0.80 -0.03 116.25 122.06 3ag3 h VAL 81 Ca 0.15 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3ag3 h VAL 81 Cb 0.57 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3ag3 h VAL 81 CO 0.03 0.09 -0.02 0.58 0.02 0.00 0.00 177.57 178.26 3ag3 h VAL 82 N -0.49 1.27 -0.52 2.57 2.07 -1.04 0.67 116.25 120.78 3ag3 h VAL 82 Ca -0.03 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3ag3 h VAL 82 Cb 0.37 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3ag3 h VAL 82 CO 0.05 0.31 0.32 1.23 0.02 0.00 0.00 177.57 179.51 3ag3 h GLY 83 N 0.28 0.73 1.61 2.17 0.00 -1.15 -0.27 103.07 106.44 3ag3 h GLY 83 Ca 0.07 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3ag3 h GLY 83 CO 0.02 0.22 -0.48 0.00 0.00 0.00 0.00 176.54 176.30 3ag3 h ALA 84 N 1.22 0.87 -0.31 3.60 0.00 -0.80 -0.54 119.26 123.30 3ag3 h ALA 84 Ca 0.20 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3ag3 h ALA 84 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ag3 h ALA 84 CO -0.08 0.66 -0.00 0.00 0.00 0.00 0.00 179.25 179.83 3ag3 h ALA 85 N 1.15 0.42 -0.92 0.00 0.00 -0.52 -0.80 119.26 118.59 3ag3 h ALA 85 Ca 0.02 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ag3 h ALA 85 Cb 0.97 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3ag3 h ALA 85 CO 0.08 0.17 0.60 0.52 0.00 0.00 0.00 179.25 180.62 3ag3 h MET 86 N 0.34 1.13 -0.59 0.00 2.07 -0.70 0.50 114.93 117.67 3ag3 h MET 86 Ca 0.09 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 3ag3 h MET 86 Cb 0.44 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 3ag3 h MET 86 CO 0.02 0.74 0.35 0.35 1.07 0.00 0.00 176.91 179.44 3ag3 h PHE 87 N 1.16 0.79 -0.01 -0.22 3.57 -0.36 0.22 116.94 122.08 3ag3 h PHE 87 Ca 0.37 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.69 3ag3 h PHE 87 Cb 0.00 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3ag3 h PHE 87 CO -0.01 0.55 -0.77 0.74 -2.23 0.00 0.00 178.31 176.58 3ag3 h PHE 88 N 0.80 0.18 -0.43 0.41 -1.00 -0.59 0.54 116.94 116.86 3ag3 h PHE 88 Ca 0.21 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 3ag3 h PHE 88 Cb -0.01 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3ag3 h PHE 88 CO -0.02 0.85 0.13 0.82 -1.61 0.00 0.00 178.31 178.48 3ag3 h ILE 89 N 0.08 1.22 -0.86 -0.55 2.04 -0.65 -2.01 117.51 116.78 3ag3 h ILE 89 Ca -0.02 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.16 3ag3 h ILE 89 Cb 1.35 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 3ag3 h ILE 89 CO 0.11 0.26 0.54 1.23 0.00 0.00 0.00 178.15 180.29 3ag3 h GLY 90 N 0.55 1.28 1.39 5.37 0.00 -0.28 -2.26 103.07 109.11 3ag3 h GLY 90 Ca 0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3ag3 h GLY 90 CO -0.00 0.29 0.36 -2.75 0.00 0.00 0.00 176.54 174.43 3ag3 h PHE 91 N 0.99 0.78 -0.93 5.60 3.57 -0.69 -2.20 116.94 124.08 3ag3 h PHE 91 Ca 0.37 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3ag3 h PHE 91 Cb 0.13 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3ag3 h PHE 91 CO -0.03 0.53 0.61 1.15 -2.23 0.00 0.00 178.31 178.34 3ag3 h THR 92 N 0.83 1.24 -0.27 4.41 2.02 -0.76 -0.68 112.91 119.69 3ag3 h THR 92 Ca 0.22 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3ag3 h THR 92 Cb -0.03 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 3ag3 h THR 92 CO -0.04 0.23 0.05 0.00 0.37 0.00 0.00 175.52 176.13 3ag3 h ALA 93 N 1.42 1.58 -0.86 6.16 0.00 -1.22 -0.80 119.26 125.55 3ag3 h ALA 93 Ca 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ag3 h ALA 93 Cb -0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3ag3 h ALA 93 CO -0.07 0.31 0.56 -0.07 0.00 0.00 0.00 179.25 179.98 3ag3 h LEU 94 N 0.39 0.99 -0.78 0.00 3.38 -1.04 0.96 115.31 119.21 3ag3 h LEU 94 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ag3 h LEU 94 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3ag3 h LEU 94 CO -0.00 0.73 0.45 -0.07 0.09 0.00 0.00 178.44 179.64 3ag3 h LEU 95 N 1.16 0.96 -0.66 1.67 3.38 -0.79 -1.46 115.31 119.57 3ag3 h LEU 95 Ca 0.31 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 3ag3 h LEU 95 Cb -0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3ag3 h LEU 95 CO -0.07 0.76 -0.59 -0.07 0.09 0.00 0.00 178.44 178.57 3ag3 h LEU 96 N 1.08 0.00 -0.44 1.67 3.38 -0.63 -0.77 115.31 119.60 3ag3 h LEU 96 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3ag3 h LEU 96 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ag3 h LEU 96 CO -0.05 0.59 -0.08 0.40 0.09 0.00 0.00 178.44 179.39 3ag3 h ILE 97 N 0.00 1.27 -0.37 1.22 2.04 -0.54 -1.27 117.51 119.86 3ag3 h ILE 97 Ca -0.01 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 3ag3 h ILE 97 Cb 1.15 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3ag3 h ILE 97 CO 0.08 0.40 0.18 -0.25 0.00 0.00 0.00 178.15 178.55 3ag3 h TRP 98 N 0.66 0.53 -0.37 1.37 7.01 -1.00 -1.30 115.95 122.86 3ag3 h TRP 98 Ca 0.11 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 3ag3 h TRP 98 Cb 0.61 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 3ag3 h TRP 98 CO 0.05 0.45 0.12 1.49 -2.79 0.00 0.00 178.44 177.76 3ag3 h GLU 99 N 0.46 0.57 -0.81 2.65 4.81 -1.07 0.19 114.58 121.38 3ag3 h GLU 99 Ca 0.13 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3ag3 h GLU 99 Cb 0.12 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3ag3 h GLU 99 CO -0.02 0.58 0.52 -0.22 -0.73 0.00 0.00 179.01 179.15 3ag3 h LYS 100 N 0.45 1.01 -0.10 1.92 1.63 -1.02 0.76 116.57 121.21 3ag3 h LYS 100 Ca 0.12 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 3ag3 h LYS 100 Cb 0.24 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3ag3 h LYS 100 CO -0.00 0.67 -0.23 1.25 -3.45 0.00 0.00 179.45 177.69 3ag3 h HIS 101 N 1.04 0.43 0.00 1.91 2.76 -0.91 -3.34 115.15 117.03 3ag3 h HIS 101 Ca 0.31 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3ag3 h HIS 101 Cb -0.03 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.85 3ag3 h HIS 101 CO -0.02 0.84 -1.04 0.66 -1.30 0.00 0.00 177.93 177.06 3ag3 n TYR 102 N -4.50 0.00 -0.07 5.26 4.01 0.65 -4.74 117.16 117.78 3ag3 n TYR 102 Ca -0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.54 3ag3 n TYR 102 Cb 0.43 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 3ag3 n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ag3 n VAL 103 N -1.59 0.73 -2.90 -0.72 0.31 0.23 -4.98 118.33 109.40 3ag3 n VAL 103 Ca 0.01 -0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 3ag3 n VAL 103 Cb 0.27 -1.48 -0.05 0.00 -0.91 0.00 0.00 33.84 31.67 3ag3 n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag3 s TYR 104 N -2.25 3.77 0.00 3.52 4.12 -1.01 -5.05 117.35 120.46 3ag3 s TYR 104 Ca -0.18 1.59 0.00 0.00 0.02 0.00 0.00 57.07 58.50 3ag3 s TYR 104 Cb 0.06 -2.89 0.00 0.00 -1.52 0.00 0.00 41.96 37.61 3ag3 s TYR 104 CO 0.25 0.27 0.00 0.41 0.02 0.00 0.00 175.55 176.50 3ag3 n GLY 105 N 2.29 -0.03 3.77 0.71 0.00 -1.26 -4.78 105.19 105.87 3ag3 n GLY 105 Ca -0.01 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3ag3 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ag3 s PRO 106 N -2.22 3.77 0.78 1.61 0.04 -1.26 -5.04 135.00 132.69 3ag3 s PRO 106 Ca 0.00 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 3ag3 s PRO 106 Cb 0.00 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.93 3ag3 s PRO 106 CO 0.00 -0.69 1.15 0.96 0.04 0.00 0.00 177.00 178.45 3ag3 s ILE 107 N -1.25 2.58 0.86 0.56 -4.36 -1.26 -5.02 121.20 113.31 3ag3 s ILE 107 Ca 0.60 0.19 -0.11 0.00 -0.26 0.00 0.00 60.65 61.06 3ag3 s ILE 107 Cb -0.41 -3.17 0.11 0.00 1.25 0.00 0.00 42.46 40.25 3ag3 s ILE 107 CO 0.52 -0.25 1.16 -2.84 0.24 0.00 0.00 174.94 173.78 3ag3 s PRO 108 N -5.47 1.38 0.06 0.37 0.02 -1.26 -4.89 135.00 125.22 3ag3 s PRO 108 Ca 0.61 1.60 0.15 0.00 0.02 0.00 0.00 61.00 63.38 3ag3 s PRO 108 Cb -0.11 -1.76 0.66 0.00 0.02 0.00 0.00 34.50 33.30 3ag3 s PRO 108 CO 0.50 -2.37 1.48 -2.39 -0.33 0.00 0.00 177.00 173.90 3ag3 n HIS 109 N -3.78 0.19 0.43 6.54 1.44 -1.26 -2.29 115.22 116.49 3ag3 n HIS 109 Ca 0.12 0.08 0.06 0.00 -2.01 0.00 0.00 57.72 55.97 3ag3 n HIS 109 Cb 0.52 -0.62 0.26 0.00 0.12 0.00 0.00 29.99 30.27 3ag3 n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3ag3 n THR 110 N -1.67 1.12 1.27 0.61 -2.24 -1.26 -1.94 114.28 110.16 3ag3 n THR 110 Ca 0.03 0.28 0.13 0.00 -2.27 0.00 0.00 64.05 62.22 3ag3 n THR 110 Cb 0.17 -1.07 0.34 0.00 -2.10 0.00 0.00 70.33 67.67 3ag3 n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ag3 n PHE 111 N -1.48 0.00 -1.88 4.78 3.01 -0.97 -4.18 117.46 116.74 3ag3 n PHE 111 Ca 0.03 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.12 3ag3 n PHE 111 Cb 0.14 -0.05 0.04 0.00 -0.01 0.00 0.00 39.48 39.60 3ag3 n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3ag3 s GLU 112 N -2.27 3.04 0.23 -1.08 2.02 -0.82 -4.79 118.70 115.04 3ag3 s GLU 112 Ca 0.29 2.06 -0.06 0.00 0.02 0.00 0.00 54.97 57.28 3ag3 s GLU 112 Cb 0.20 -2.11 0.36 0.00 0.10 0.00 0.00 34.13 32.67 3ag3 s GLU 112 CO 0.44 -1.21 1.80 1.49 0.02 0.00 0.00 175.26 177.80 3ag3 h GLU 113 N 1.20 0.68 -0.50 1.61 4.81 -1.92 -1.49 114.58 118.97 3ag3 h GLU 113 Ca -0.51 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 3ag3 h GLU 113 Cb 1.30 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3ag3 h GLU 113 CO 0.56 0.45 -0.06 1.49 -0.73 0.00 0.00 179.01 180.72 3ag3 h GLU 114 N 0.70 0.93 -0.27 1.92 4.81 -1.95 -1.86 114.58 118.85 3ag3 h GLU 114 Ca 0.37 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3ag3 h GLU 114 Cb 0.35 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3ag3 h GLU 114 CO -0.25 0.98 0.11 2.35 -0.73 0.00 0.00 179.01 181.47 3ag3 h TRP 115 N 0.79 0.21 -0.44 0.92 2.91 -1.65 -1.60 115.95 117.09 3ag3 h TRP 115 Ca 0.14 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.18 3ag3 h TRP 115 Cb 0.60 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 3ag3 h TRP 115 CO 0.04 0.11 0.27 0.28 -1.03 0.00 0.00 178.44 178.11 3ag3 h VAL 116 N 0.25 1.07 -0.65 2.65 2.07 -1.13 0.41 116.25 120.92 3ag3 h VAL 116 Ca 0.11 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3ag3 h VAL 116 Cb 0.06 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 3ag3 h VAL 116 CO -0.10 0.10 0.30 0.00 0.02 0.00 0.00 177.57 177.89 3ag3 h ALA 117 N 1.18 0.86 -0.31 1.67 0.00 -1.23 0.96 119.26 122.39 3ag3 h ALA 117 Ca 0.17 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3ag3 h ALA 117 Cb -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ag3 h ALA 117 CO -0.06 -0.09 -0.47 0.87 0.00 0.00 0.00 179.25 179.49 3ag3 h LYS 118 N 0.53 0.87 -0.70 0.00 1.57 -0.61 -2.06 116.57 116.18 3ag3 h LYS 118 Ca 0.31 -0.52 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 3ag3 h LYS 118 Cb 0.33 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ag3 h LYS 118 CO -0.26 1.16 0.14 0.37 -0.57 0.00 0.00 179.45 180.29 3ag3 h GLN 119 N 0.66 1.14 -0.42 3.15 4.15 -0.12 -0.62 115.11 123.06 3ag3 h GLN 119 Ca 0.03 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 3ag3 h GLN 119 Cb 1.07 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 3ag3 h GLN 119 CO 0.11 1.02 0.22 1.15 -1.93 0.00 0.00 178.83 179.39 3ag3 h THR 120 N 1.07 1.16 -0.76 2.39 2.02 -0.79 0.11 112.91 118.12 3ag3 h THR 120 Ca 0.22 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 67.04 3ag3 h THR 120 Cb 0.41 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 3ag3 h THR 120 CO 0.01 0.17 0.41 0.50 0.37 0.00 0.00 175.52 176.99 3ag3 h LYS 121 N 0.54 0.69 -0.13 6.66 3.64 -0.90 -1.33 116.57 125.74 3ag3 h LYS 121 Ca 0.15 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3ag3 h LYS 121 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3ag3 h LYS 121 CO -0.02 0.46 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.21 3ag3 h ARG 122 N 0.71 0.26 -0.66 1.90 2.43 -0.83 0.38 114.38 118.56 3ag3 h ARG 122 Ca 0.36 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3ag3 h ARG 122 Cb 0.33 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3ag3 h ARG 122 CO -0.24 0.55 0.11 0.52 -1.51 0.00 0.00 179.97 179.39 3ag3 h MET 123 N 0.23 1.09 -0.04 0.20 2.86 -0.51 -0.01 114.93 118.76 3ag3 h MET 123 Ca 0.03 -0.29 -0.16 0.00 -2.06 0.00 0.00 59.70 57.22 3ag3 h MET 123 Cb 0.67 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3ag3 h MET 123 CO 0.05 1.01 -0.69 -0.07 1.06 0.00 0.00 176.91 178.27 3ag3 h LEU 124 N 1.01 0.23 -1.05 1.22 3.38 -0.21 -0.49 115.31 119.41 3ag3 h LEU 124 Ca 0.20 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ag3 h LEU 124 Cb 0.44 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3ag3 h LEU 124 CO 0.01 0.84 0.64 0.44 0.09 0.00 0.00 178.44 180.47 3ag3 h ASP 125 N 0.13 1.10 -0.30 -0.43 3.45 0.15 -1.59 116.42 118.93 3ag3 h ASP 125 Ca -0.02 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3ag3 h ASP 125 Cb 1.22 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 3ag3 h ASP 125 CO 0.10 0.79 0.00 1.15 -1.57 0.00 0.00 179.24 179.72 3ag3 n MET 126 N -4.39 1.75 -3.85 3.56 0.00 -0.06 -4.94 117.12 109.18 3ag3 n MET 126 Ca 0.12 -1.16 -0.26 0.00 0.00 0.00 0.00 57.70 56.39 3ag3 n MET 126 Cb 0.03 -1.28 0.02 0.00 0.00 0.00 0.00 33.22 31.99 3ag3 n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3ag3 n LYS 127 N 0.43 -4.86 -1.62 3.17 5.02 -0.57 -4.92 118.16 114.81 3ag3 n LYS 127 Ca 0.12 0.57 -0.49 0.00 -2.02 0.00 0.00 58.31 56.49 3ag3 n LYS 127 Cb 0.28 -5.22 -0.05 0.00 -0.02 0.00 0.00 35.03 30.03 3ag3 n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ag3 n VAL 128 N -4.47 0.19 -3.68 -0.18 0.31 -0.30 -3.41 118.33 106.80 3ag3 n VAL 128 Ca -0.14 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 3ag3 n VAL 128 Cb 0.61 -1.12 0.01 0.00 -0.91 0.00 0.00 33.84 32.42 3ag3 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag3 n ALA 129 N 2.64 -2.70 1.14 3.52 0.00 -1.26 -0.19 120.51 123.66 3ag3 n ALA 129 Ca 0.17 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.49 3ag3 n ALA 129 Cb 0.24 -1.46 0.54 0.00 0.00 0.00 0.00 19.45 18.77 3ag3 n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag3 n PRO 130 N -2.92 0.21 -0.04 0.00 -0.04 -1.22 -1.39 135.00 129.60 3ag3 n PRO 130 Ca -0.21 -0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 62.99 3ag3 n PRO 130 Cb 0.63 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 3ag3 n PRO 130 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ag3 n ILE 131 N -1.34 1.69 0.00 0.52 -0.00 -1.26 -3.72 119.36 115.25 3ag3 n ILE 131 Ca 0.09 -0.64 0.00 0.00 -0.00 0.00 0.00 62.75 62.20 3ag3 n ILE 131 Cb 0.31 -1.60 0.00 0.00 -0.00 0.00 0.00 39.64 38.35 3ag3 n ILE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3ag3 n GLN 132 N -3.39 0.00 0.05 0.38 6.02 -1.25 -4.84 117.38 114.34 3ag3 n GLN 132 Ca -0.36 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.53 3ag3 n GLN 132 Cb 1.03 -0.42 -0.13 0.00 1.02 0.00 0.00 30.24 31.74 3ag3 n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3ag3 h GLY 133 N 0.00 0.09 0.00 1.08 0.00 -1.86 -3.43 103.07 98.96 3ag3 h GLY 133 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3ag3 h GLY 133 CO 0.00 0.20 0.00 0.33 0.00 0.00 0.00 176.54 177.07 3ag3 n PHE 134 N -3.34 -0.07 0.23 5.60 7.35 -0.49 -4.88 117.46 121.86 3ag3 n PHE 134 Ca -0.07 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.79 3ag3 n PHE 134 Cb 0.99 0.05 0.86 0.00 0.35 0.00 0.00 39.48 41.72 3ag3 n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3ag3 h SER 135 N 0.00 0.00 -0.02 -2.13 0.02 -0.05 0.12 113.55 111.49 3ag3 h SER 135 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3ag3 h SER 135 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ag3 h SER 135 CO 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 176.83 175.74 3ag3 h ALA 136 N 1.82 1.29 -0.21 3.77 0.00 -1.60 -1.49 119.26 122.83 3ag3 h ALA 136 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ag3 h ALA 136 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ag3 h ALA 136 CO -0.00 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.82 3ag3 n LYS 137 N -3.40 2.14 -4.32 0.00 5.02 0.42 -4.90 118.16 113.12 3ag3 n LYS 137 Ca -0.02 -1.71 -0.34 0.00 -2.02 0.00 0.00 58.31 54.22 3ag3 n LYS 137 Cb 0.13 -1.46 -0.09 0.00 -0.02 0.00 0.00 35.03 33.58 3ag3 n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3ag3 s TRP 138 N -1.73 3.12 -0.39 2.13 -0.11 -0.56 -0.51 118.94 120.88 3ag3 s TRP 138 Ca 0.35 0.13 -0.12 0.00 1.22 0.00 0.00 56.10 57.68 3ag3 s TRP 138 Cb 0.20 -1.72 0.03 0.00 -1.50 0.00 0.00 33.47 30.49 3ag3 s TRP 138 CO 0.30 0.47 0.24 0.34 -4.62 0.00 0.00 176.95 173.67 3ag3 s ASP 139 N -1.29 5.82 0.48 5.86 -1.08 0.61 -4.74 116.67 122.34 3ag3 s ASP 139 Ca 0.17 -1.04 0.27 0.00 -0.52 0.00 0.00 52.55 51.43 3ag3 s ASP 139 Cb -0.11 -2.06 0.87 0.00 -1.46 0.00 0.00 42.92 40.16 3ag3 s ASP 139 CO 0.07 -0.43 1.80 1.88 0.52 0.00 0.00 175.17 179.01 3ag3 h TYR 140 N 8.49 0.00 0.07 -5.34 0.05 -1.92 0.14 116.97 118.46 3ag3 h TYR 140 Ca -0.26 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.43 3ag3 h TYR 140 Cb 1.10 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.86 3ag3 h TYR 140 CO 0.57 0.06 -0.40 -0.44 -1.05 0.00 0.00 178.16 176.90 3ag3 h ASP 141 N 0.00 0.23 0.36 3.88 3.45 -1.95 -3.35 116.42 119.04 3ag3 h ASP 141 Ca -0.00 -0.97 0.00 0.00 0.43 0.00 0.00 57.03 56.49 3ag3 h ASP 141 Cb 0.77 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 3ag3 h ASP 141 CO 0.01 1.19 -0.14 0.29 -1.57 0.00 0.00 179.24 179.02 3ag3 n LYS 142 N -4.37 0.68 -3.64 3.56 5.02 -1.22 -4.95 118.16 113.24 3ag3 n LYS 142 Ca -0.12 -0.27 -0.23 0.00 -2.02 0.00 0.00 58.31 55.67 3ag3 n LYS 142 Cb 0.65 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.23 3ag3 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ag3 n ASN 143 N -0.93 -4.04 -3.60 4.39 4.05 0.48 -4.99 115.26 110.64 3ag3 n ASN 143 Ca 0.14 -0.66 -0.11 0.00 0.45 0.00 0.00 54.58 54.40 3ag3 n ASN 143 Cb 0.29 -4.66 -0.04 0.00 1.23 0.00 0.00 39.78 36.60 3ag3 n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3ag3 s GLU 144 N -6.07 1.19 0.41 1.20 -1.05 -1.08 -4.99 118.70 108.30 3ag3 s GLU 144 Ca 0.35 -0.67 -0.27 0.00 -0.15 0.00 0.00 54.97 54.23 3ag3 s GLU 144 Cb -0.16 0.51 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 3ag3 s GLU 144 CO 0.76 -0.49 1.40 -1.58 0.95 0.00 0.00 175.26 176.30 3ag3 s TRP 145 N -3.80 2.65 0.45 4.83 0.52 -1.26 -0.28 118.94 122.04 3ag3 s TRP 145 Ca 0.04 1.29 -0.24 0.00 0.02 0.00 0.00 56.10 57.21 3ag3 s TRP 145 Cb 0.01 -3.86 -0.08 0.00 -1.15 0.00 0.00 33.47 28.39 3ag3 s TRP 145 CO -0.10 -2.61 1.27 0.15 0.02 0.00 0.00 176.95 175.67 3ag3 s LYS 146 N -2.23 3.75 0.00 4.98 1.02 0.33 -4.73 119.74 122.87 3ag3 s LYS 146 Ca 0.56 2.04 0.29 0.00 0.02 0.00 0.00 55.97 58.89 3ag3 s LYS 146 Cb -0.43 -2.55 1.76 0.00 -0.52 0.00 0.00 37.83 36.09 3ag3 s LYS 146 CO 0.56 -0.64 2.09 1.63 -0.92 0.00 0.00 175.35 178.07