#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n VAL 5 N 0.00 0.50 -3.60 0.44 0.31 -1.26 -5.00 118.33 109.72 3ag4 n VAL 5 Ca 0.00 -0.26 -0.38 0.00 -0.01 0.00 0.00 64.34 63.70 3ag4 n VAL 5 Cb 0.00 -2.20 -0.06 0.00 -0.91 0.00 0.00 33.84 30.67 3ag4 n VAL 5 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ag4 s VAL 6 N 6.07 5.20 0.03 2.52 1.01 -1.26 -5.10 120.40 128.86 3ag4 s VAL 6 Ca 0.97 0.64 0.08 0.00 0.00 0.00 0.00 61.98 63.67 3ag4 s VAL 6 Cb -0.53 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3ag4 s VAL 6 CO 0.43 0.55 -0.23 -0.54 0.00 0.00 0.00 175.10 175.32 3ag4 s LYS 7 N -0.79 1.98 0.25 2.72 1.02 -1.26 -5.02 119.74 118.64 3ag4 s LYS 7 Ca 0.21 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 3ag4 s LYS 7 Cb -0.15 -2.09 0.39 0.00 -0.52 0.00 0.00 37.83 35.46 3ag4 s LYS 7 CO 0.10 0.54 1.84 0.77 -0.92 0.00 0.00 175.35 177.67 3ag4 h SER 8 N 4.84 0.82 0.49 2.83 0.02 -2.03 -2.19 113.55 118.34 3ag4 h SER 8 Ca -0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3ag4 h SER 8 Cb 1.14 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3ag4 h SER 8 CO 0.46 0.49 0.00 -1.84 -1.14 0.00 0.00 176.83 174.80 3ag4 n GLU 9 N -4.65 0.17 -0.01 3.45 0.00 -1.26 -1.77 120.64 116.58 3ag4 n GLU 9 Ca 0.14 0.12 0.07 0.00 0.00 0.00 0.00 57.16 57.49 3ag4 n GLU 9 Cb 0.23 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.55 3ag4 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ag4 n ASP 10 N -1.37 0.17 -0.27 -1.84 8.00 -0.82 -4.55 116.55 115.86 3ag4 n ASP 10 Ca 0.08 -1.62 0.14 0.00 0.71 0.00 0.00 54.79 54.10 3ag4 n ASP 10 Cb 0.19 -0.01 0.40 0.00 -0.02 0.00 0.00 41.12 41.68 3ag4 n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3ag4 h TYR 11 N 0.21 0.78 -0.01 1.24 -0.00 -1.50 -1.24 116.97 116.45 3ag4 h TYR 11 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3ag4 h TYR 11 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 36.73 36.53 3ag4 h TYR 11 CO 0.01 0.25 0.00 0.00 -0.00 0.00 0.00 178.16 178.43 3ag4 n ALA 12 N -2.44 2.65 -2.82 0.10 0.00 -1.26 -4.84 120.51 111.89 3ag4 n ALA 12 Ca 0.19 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3ag4 n ALA 12 Cb 0.54 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 3ag4 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag4 s LEU 13 N -1.83 3.98 0.41 0.00 1.43 -0.47 -5.07 118.68 117.13 3ag4 s LEU 13 Ca 0.39 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.33 3ag4 s LEU 13 Cb 0.18 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 3ag4 s LEU 13 CO 0.31 0.17 1.06 -2.65 0.23 0.00 0.00 176.35 175.47 3ag4 n PRO 14 N 0.41 1.45 -4.50 1.29 -0.02 -1.26 -4.98 135.00 127.39 3ag4 n PRO 14 Ca -0.07 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 3ag4 n PRO 14 Cb 0.51 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 3ag4 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ag4 s SER 15 N -0.69 2.69 0.00 2.55 1.04 -1.26 -4.87 113.70 113.16 3ag4 s SER 15 Ca 0.63 -1.50 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 3ag4 s SER 15 Cb -0.56 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 3ag4 s SER 15 CO 0.57 -0.73 0.37 -0.47 0.98 0.00 0.00 173.24 173.96 3ag4 s TYR 16 N -3.22 3.68 -0.04 5.02 5.04 -1.26 -3.89 117.35 122.67 3ag4 s TYR 16 Ca 0.30 0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 55.72 3ag4 s TYR 16 Cb 0.06 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 40.18 3ag4 s TYR 16 CO 0.14 0.63 0.22 0.14 -1.34 0.00 0.00 175.55 175.34 3ag4 s VAL 17 N -1.15 0.04 -0.43 3.14 -7.23 -1.26 -5.06 120.40 108.45 3ag4 s VAL 17 Ca 0.25 -0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 3ag4 s VAL 17 Cb -0.15 -0.43 0.05 0.00 0.56 0.00 0.00 36.38 36.42 3ag4 s VAL 17 CO 0.13 -0.18 0.31 -1.81 -0.31 0.00 0.00 175.10 173.24 3ag4 s ASP 18 N -0.69 5.94 -0.11 4.85 -0.00 -1.26 -4.67 116.67 120.72 3ag4 s ASP 18 Ca -0.08 -1.21 -0.07 0.00 -0.00 0.00 0.00 52.55 51.19 3ag4 s ASP 18 Cb -0.04 -2.10 0.04 0.00 -0.00 0.00 0.00 42.92 40.82 3ag4 s ASP 18 CO 0.02 -0.53 0.27 -0.13 -0.00 0.00 0.00 175.17 174.80 3ag4 s ARG 19 N 1.58 0.25 0.28 8.23 0.52 -1.26 -5.04 118.95 123.51 3ag4 s ARG 19 Ca 0.03 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 3ag4 s ARG 19 Cb -0.22 -0.04 0.65 0.00 0.52 0.00 0.00 34.95 35.86 3ag4 s ARG 19 CO 0.06 -0.13 1.76 0.00 0.02 0.00 0.00 175.30 177.01 3ag4 h ARG 20 N 6.81 0.62 -0.08 3.54 3.08 -1.97 -0.84 114.38 125.54 3ag4 h ARG 20 Ca -0.36 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3ag4 h ARG 20 Cb 1.17 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3ag4 h ARG 20 CO 0.36 0.41 0.00 -0.40 -1.07 0.00 0.00 179.97 179.27 3ag4 n ASP 21 N -4.86 1.77 -3.18 7.04 5.75 -1.26 -4.17 116.55 117.64 3ag4 n ASP 21 Ca 0.20 -1.63 -0.18 0.00 -0.01 0.00 0.00 54.79 53.17 3ag4 n ASP 21 Cb 0.53 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 3ag4 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ag4 n TYR 22 N 0.38 0.09 -0.07 2.11 9.36 -0.32 -5.00 117.16 123.71 3ag4 n TYR 22 Ca 0.18 -3.77 0.17 0.00 3.32 0.00 0.00 57.90 57.79 3ag4 n TYR 22 Cb 0.38 -0.38 0.59 0.00 -0.63 0.00 0.00 39.34 39.30 3ag4 n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ag4 h PRO 23 N 3.06 0.22 -3.50 2.98 0.13 -1.72 -3.35 132.00 129.83 3ag4 h PRO 23 Ca 0.09 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.53 3ag4 h PRO 23 Cb 0.97 -0.05 -0.37 0.00 0.13 0.00 0.00 31.00 31.68 3ag4 h PRO 23 CO 0.49 0.14 -0.44 -0.51 -0.23 0.00 0.00 178.00 177.46 3ag4 s LEU 24 N -9.09 4.95 1.01 1.56 1.43 -1.26 -4.96 118.68 112.33 3ag4 s LEU 24 Ca -0.07 -2.94 -0.15 0.00 -1.03 0.00 0.00 54.13 49.94 3ag4 s LEU 24 Cb 0.20 -1.79 0.20 0.00 0.03 0.00 0.00 46.19 44.83 3ag4 s LEU 24 CO 0.74 -0.32 1.18 -2.84 0.23 0.00 0.00 176.35 175.34 3ag4 s PRO 25 N -0.19 0.30 0.40 1.29 0.02 -1.26 -4.94 135.00 130.63 3ag4 s PRO 25 Ca 0.17 0.01 0.24 0.00 0.02 0.00 0.00 61.00 61.44 3ag4 s PRO 25 Cb -0.22 -1.77 0.51 0.00 0.02 0.00 0.00 34.50 33.04 3ag4 s PRO 25 CO -0.02 -2.71 1.67 -0.44 -0.33 0.00 0.00 177.00 175.17 3ag4 h ASP 26 N -1.86 0.00 -5.29 2.53 3.32 -1.94 -3.45 116.42 109.74 3ag4 h ASP 26 Ca -0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 3ag4 h ASP 26 Cb 1.30 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3ag4 h ASP 26 CO 0.47 0.00 -0.66 0.68 -1.72 0.00 0.00 179.24 178.02 3ag4 s VAL 27 N -3.22 0.19 0.43 -1.35 -7.23 -1.26 -4.96 120.40 103.00 3ag4 s VAL 27 Ca 0.07 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.12 3ag4 s VAL 27 Cb 0.07 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.00 3ag4 s VAL 27 CO 0.64 -0.60 1.09 0.00 -0.31 0.00 0.00 175.10 175.92 3ag4 s ALA 28 N -3.98 3.01 0.20 1.32 0.00 -1.26 -4.75 121.76 116.30 3ag4 s ALA 28 Ca 0.20 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 3ag4 s ALA 28 Cb 0.07 -3.31 0.24 0.00 0.00 0.00 0.00 23.12 20.12 3ag4 s ALA 28 CO -0.01 -0.39 1.76 1.25 0.00 0.00 0.00 175.76 178.37 3ag4 h HIS 29 N 2.18 0.45 -3.37 0.00 2.76 -0.40 -3.40 115.15 113.37 3ag4 h HIS 29 Ca -0.49 0.03 -0.66 0.00 -2.20 0.00 0.00 60.37 57.05 3ag4 h HIS 29 Cb 1.23 -0.11 -0.28 0.00 1.55 0.00 0.00 27.41 29.79 3ag4 h HIS 29 CO 0.56 0.16 -0.73 0.08 -1.30 0.00 0.00 177.93 176.70 3ag4 s VAL 30 N -6.10 3.28 -0.10 5.26 1.01 0.95 -2.58 120.40 122.11 3ag4 s VAL 30 Ca -0.13 -0.53 0.14 0.00 0.00 0.00 0.00 61.98 61.46 3ag4 s VAL 30 Cb 0.16 -2.48 -0.20 0.00 0.00 0.00 0.00 36.38 33.86 3ag4 s VAL 30 CO 0.74 0.43 0.15 2.29 0.00 0.00 0.00 175.10 178.72 3ag4 n LYS 31 N 4.73 1.25 -3.43 2.72 2.85 -1.26 -4.79 118.16 120.23 3ag4 n LYS 31 Ca -0.18 -0.05 -0.38 0.00 -1.05 0.00 0.00 58.31 56.64 3ag4 n LYS 31 Cb 0.51 -1.37 -0.06 0.00 -0.65 0.00 0.00 35.03 33.46 3ag4 n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3ag4 s ASN 32 N -4.41 6.83 -0.04 -5.58 0.02 -1.26 -5.07 114.94 105.43 3ag4 s ASN 32 Ca -0.07 0.98 0.07 0.00 -1.02 0.00 0.00 52.86 52.83 3ag4 s ASN 32 Cb 0.06 -2.28 -0.01 0.00 0.02 0.00 0.00 41.25 39.04 3ag4 s ASN 32 CO 0.60 0.26 -0.25 -0.76 0.02 0.00 0.00 177.10 176.97 3ag4 s LEU 33 N -0.77 2.06 0.99 0.60 1.43 -1.26 -5.09 118.68 116.64 3ag4 s LEU 33 Ca 0.25 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 3ag4 s LEU 33 Cb -0.17 -1.34 0.19 0.00 0.03 0.00 0.00 46.19 44.89 3ag4 s LEU 33 CO 0.14 0.27 1.15 -0.94 0.23 0.00 0.00 176.35 177.19 3ag4 s SER 34 N -0.32 2.76 0.19 2.29 1.04 -1.26 -4.68 113.70 113.71 3ag4 s SER 34 Ca 0.01 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.16 3ag4 s SER 34 Cb -0.12 -1.31 0.19 0.00 0.10 0.00 0.00 66.02 64.88 3ag4 s SER 34 CO 0.02 -3.01 1.70 0.00 0.98 0.00 0.00 173.24 172.93 3ag4 h ALA 35 N -1.81 0.52 -0.18 5.32 0.00 -2.00 0.28 119.26 121.39 3ag4 h ALA 35 Ca -0.50 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3ag4 h ALA 35 Cb 1.31 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3ag4 h ALA 35 CO 0.53 -0.35 -0.47 0.66 0.00 0.00 0.00 179.25 179.62 3ag4 h SER 36 N 0.18 0.50 -0.53 0.00 4.64 -1.99 -1.33 113.55 115.02 3ag4 h SER 36 Ca 0.25 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 3ag4 h SER 36 Cb 0.36 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3ag4 h SER 36 CO -0.37 0.89 -0.05 1.56 -0.87 0.00 0.00 176.83 178.00 3ag4 h GLN 37 N 0.37 0.99 -0.70 4.77 4.20 -1.80 -0.95 115.11 121.99 3ag4 h GLN 37 Ca 0.02 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 3ag4 h GLN 37 Cb 0.96 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 3ag4 h GLN 37 CO 0.08 1.00 0.29 0.87 -0.67 0.00 0.00 178.83 180.41 3ag4 h LYS 38 N 0.90 1.02 -0.13 1.46 1.57 -0.27 -1.60 116.57 119.52 3ag4 h LYS 38 Ca 0.15 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3ag4 h LYS 38 Cb 0.59 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ag4 h LYS 38 CO 0.04 0.82 -0.23 0.00 -0.57 0.00 0.00 179.45 179.50 3ag4 h ALA 39 N 1.32 1.37 -0.24 3.86 0.00 -0.60 -2.06 119.26 122.92 3ag4 h ALA 39 Ca 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ag4 h ALA 39 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ag4 h ALA 39 CO -0.02 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 180.90 3ag4 h LEU 40 N 0.20 0.42 -1.07 0.00 5.85 -0.51 0.10 115.31 120.31 3ag4 h LEU 40 Ca 0.03 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3ag4 h LEU 40 Cb 0.53 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3ag4 h LEU 40 CO 0.04 0.64 0.39 0.11 -0.34 0.00 0.00 178.44 179.28 3ag4 h LYS 41 N 0.19 1.05 -0.01 1.25 1.79 -1.14 0.94 116.57 120.63 3ag4 h LYS 41 Ca 0.07 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3ag4 h LYS 41 Cb 0.43 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3ag4 h LYS 41 CO 0.01 0.78 -0.04 0.93 -1.08 0.00 0.00 179.45 180.06 3ag4 h GLU 42 N 1.05 -0.06 -0.83 3.15 4.39 -1.02 -2.74 114.58 118.52 3ag4 h GLU 42 Ca 0.26 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.14 3ag4 h GLU 42 Cb 0.05 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 3ag4 h GLU 42 CO -0.04 -0.04 0.55 -0.22 -1.16 0.00 0.00 179.01 178.10 3ag4 h LYS 43 N -0.06 0.39 0.00 2.33 3.64 -0.29 -0.37 116.57 122.20 3ag4 h LYS 43 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3ag4 h LYS 43 Cb 0.09 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3ag4 h LYS 43 CO -0.05 0.26 -0.15 1.49 -2.27 0.00 0.00 179.45 178.73 3ag4 h GLU 44 N 0.40 0.00 0.00 1.90 4.81 -0.52 -1.00 114.58 120.17 3ag4 h GLU 44 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3ag4 h GLU 44 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3ag4 h GLU 44 CO -0.14 0.15 0.00 1.63 -0.73 0.00 0.00 179.01 179.92 3ag4 n LYS 45 N -3.29 0.13 -3.00 1.92 5.02 -0.15 -4.77 118.16 114.02 3ag4 n LYS 45 Ca 0.00 0.49 -0.19 0.00 -2.02 0.00 0.00 58.31 56.60 3ag4 n LYS 45 Cb 0.39 -1.82 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3ag4 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ag4 s ALA 46 N -3.33 4.58 0.07 7.82 0.00 -0.38 -5.02 121.76 125.49 3ag4 s ALA 46 Ca 0.02 -1.91 -0.37 0.00 0.00 0.00 0.00 51.96 49.69 3ag4 s ALA 46 Cb 0.07 -1.57 -0.17 0.00 0.00 0.00 0.00 23.12 21.45 3ag4 s ALA 46 CO 0.27 -0.63 1.25 0.45 0.00 0.00 0.00 175.76 177.09 3ag4 n SER 47 N -2.10 1.18 0.25 0.00 2.88 -1.26 -4.86 113.62 109.71 3ag4 n SER 47 Ca 0.12 1.13 0.17 0.00 -1.33 0.00 0.00 58.87 58.96 3ag4 n SER 47 Cb 0.60 -1.12 0.74 0.00 -0.75 0.00 0.00 64.21 63.68 3ag4 n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3ag4 h TRP 48 N 4.05 0.00 0.00 0.66 6.55 -1.90 -2.09 115.95 123.22 3ag4 h TRP 48 Ca -0.48 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.35 3ag4 h TRP 48 Cb 1.36 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.66 3ag4 h TRP 48 CO 0.59 0.00 -0.05 0.77 -1.05 0.00 0.00 178.44 178.69 3ag4 h SER 49 N 0.00 0.00 0.92 -3.49 0.02 -2.00 -1.81 113.55 107.19 3ag4 h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ag4 h SER 49 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3ag4 h SER 49 CO 0.00 0.05 -0.16 -1.20 -1.14 0.00 0.00 176.83 174.38 3ag4 n SER 50 N -4.29 0.27 -4.76 3.07 7.64 -0.79 -4.80 113.62 109.96 3ag4 n SER 50 Ca -0.03 0.30 -0.40 0.00 1.01 0.00 0.00 58.87 59.75 3ag4 n SER 50 Cb 0.14 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3ag4 n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ag4 s LEU 51 N -3.26 4.50 0.88 -3.43 1.02 -0.68 -5.05 118.68 112.66 3ag4 s LEU 51 Ca 0.12 2.43 -0.12 0.00 0.02 0.00 0.00 54.13 56.59 3ag4 s LEU 51 Cb 0.17 -3.63 0.12 0.00 0.02 0.00 0.00 46.19 42.87 3ag4 s LEU 51 CO 0.59 -0.30 1.11 -0.94 0.02 0.00 0.00 176.35 176.84 3ag4 s SER 52 N -0.69 3.76 0.08 2.29 1.04 -1.26 -4.85 113.70 114.07 3ag4 s SER 52 Ca 0.46 1.15 -0.29 0.00 0.48 0.00 0.00 55.95 57.76 3ag4 s SER 52 Cb -0.35 -1.80 -0.17 0.00 0.10 0.00 0.00 66.02 63.81 3ag4 s SER 52 CO 0.45 -2.41 1.67 0.40 0.98 0.00 0.00 173.24 174.33 3ag4 h ILE 53 N -1.40 0.61 -0.93 -1.02 1.08 -1.97 0.23 117.51 114.11 3ag4 h ILE 53 Ca -0.50 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.16 3ag4 h ILE 53 Cb 1.31 0.61 -0.11 0.00 -3.07 0.00 0.00 36.82 35.55 3ag4 h ILE 53 CO 0.60 0.00 0.50 0.44 -0.69 0.00 0.00 178.15 179.00 3ag4 h ASP 54 N -0.52 0.58 -0.34 1.72 3.45 -2.00 -0.30 116.42 119.03 3ag4 h ASP 54 Ca -0.05 0.11 -0.14 0.00 0.43 0.00 0.00 57.03 57.39 3ag4 h ASP 54 Cb 0.40 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3ag4 h ASP 54 CO 0.07 0.17 -0.33 -0.33 -1.57 0.00 0.00 179.24 177.26 3ag4 h GLU 55 N 0.61 0.82 -0.55 3.56 5.08 -1.83 -1.15 114.58 121.12 3ag4 h GLU 55 Ca 0.55 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3ag4 h GLU 55 Cb 0.90 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3ag4 h GLU 55 CO -0.42 1.06 0.25 0.87 -1.00 0.00 0.00 179.01 179.77 3ag4 h LYS 56 N 0.60 0.47 -0.62 2.33 1.57 -0.17 0.13 116.57 120.88 3ag4 h LYS 56 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ag4 h LYS 56 Cb 0.91 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3ag4 h LYS 56 CO 0.08 0.31 0.38 0.28 -0.57 0.00 0.00 179.45 179.93 3ag4 h VAL 57 N 0.48 1.17 -0.48 0.50 2.07 -0.84 -0.88 116.25 118.28 3ag4 h VAL 57 Ca 0.25 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3ag4 h VAL 57 Cb 0.21 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3ag4 h VAL 57 CO -0.21 0.18 -0.14 -0.08 0.02 0.00 0.00 177.57 177.34 3ag4 h GLU 58 N 0.83 0.93 -0.86 1.57 4.81 -1.02 0.13 114.58 120.98 3ag4 h GLU 58 Ca 0.22 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3ag4 h GLU 58 Cb -0.05 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3ag4 h GLU 58 CO -0.04 1.03 0.57 -0.07 -0.73 0.00 0.00 179.01 179.76 3ag4 h LEU 59 N 0.78 0.98 -0.48 1.64 3.38 -0.47 -1.77 115.31 119.37 3ag4 h LEU 59 Ca 0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ag4 h LEU 59 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3ag4 h LEU 59 CO 0.05 0.71 0.29 0.22 0.09 0.00 0.00 178.44 179.80 3ag4 h TYR 60 N 1.16 0.64 0.00 1.13 3.20 -0.21 -2.22 116.97 120.67 3ag4 h TYR 60 Ca 0.32 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3ag4 h TYR 60 Cb -0.12 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 37.94 3ag4 h TYR 60 CO -0.01 0.45 0.00 0.54 -1.64 0.00 0.00 178.16 177.49 3ag4 n ARG 61 N -4.70 0.18 0.12 1.82 5.12 0.38 -1.34 116.66 118.23 3ag4 n ARG 61 Ca 0.02 0.29 -0.24 0.00 -1.93 0.00 0.00 57.85 56.00 3ag4 n ARG 61 Cb 0.05 -1.77 -0.15 0.00 -1.16 0.00 0.00 32.46 29.44 3ag4 n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3ag4 h LEU 62 N 0.00 0.87 -0.17 0.55 3.38 -0.73 -3.35 115.31 115.86 3ag4 h LEU 62 Ca 0.00 -0.87 -0.23 0.00 0.09 0.00 0.00 57.88 56.87 3ag4 h LEU 62 Cb 0.49 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ag4 h LEU 62 CO 0.00 1.67 -0.94 0.50 0.09 0.00 0.00 178.44 179.76 3ag4 h LYS 63 N 0.21 0.40 -4.60 1.13 1.63 -1.04 0.27 116.57 114.58 3ag4 h LYS 63 Ca -0.22 -0.43 -0.27 0.00 -0.85 0.00 0.00 60.65 58.87 3ag4 h LYS 63 Cb 2.05 0.12 -0.21 0.00 -0.60 0.00 0.00 32.23 33.60 3ag4 h LYS 63 CO 0.26 1.10 -0.73 -0.06 -3.45 0.00 0.00 179.45 176.57 3ag4 s PHE 64 N -3.26 0.71 -0.05 1.91 0.40 -0.45 -0.09 117.98 117.16 3ag4 s PHE 64 Ca -0.06 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.71 3ag4 s PHE 64 Cb 0.09 -0.42 -0.01 0.00 0.51 0.00 0.00 43.02 43.19 3ag4 s PHE 64 CO 0.87 -0.09 -0.05 -0.22 0.70 0.00 0.00 175.22 176.43 3ag4 h LYS 65 N 4.34 0.00 -6.41 0.44 3.64 -1.85 -3.38 116.57 113.35 3ag4 h LYS 65 Ca -0.36 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.34 3ag4 h LYS 65 Cb 1.20 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.83 3ag4 h LYS 65 CO 0.43 0.00 -0.74 -1.21 -2.27 0.00 0.00 179.45 175.66 3ag4 s GLU 66 N -1.38 2.35 0.94 1.90 2.02 -1.26 -4.96 118.70 118.32 3ag4 s GLU 66 Ca -0.04 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 3ag4 s GLU 66 Cb 0.01 -2.38 0.16 0.00 0.10 0.00 0.00 34.13 32.01 3ag4 s GLU 66 CO 0.06 0.57 1.09 -1.54 0.02 0.00 0.00 175.26 175.46 3ag4 s SER 67 N -1.53 2.98 0.16 -0.19 1.04 -1.26 -4.78 113.70 110.12 3ag4 s SER 67 Ca 0.17 1.58 -0.20 0.00 0.48 0.00 0.00 55.95 57.98 3ag4 s SER 67 Cb -0.11 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.83 3ag4 s SER 67 CO 0.08 -2.96 1.64 -0.26 0.98 0.00 0.00 173.24 172.72 3ag4 h PHE 68 N -1.77 -0.49 -0.75 5.02 -1.00 -2.00 0.24 116.94 116.20 3ag4 h PHE 68 Ca -0.51 0.04 0.11 0.00 2.81 0.00 0.00 57.97 60.42 3ag4 h PHE 68 Cb 1.29 0.26 -0.08 0.00 3.61 0.00 0.00 35.95 41.04 3ag4 h PHE 68 CO 0.41 -0.27 0.37 0.00 -1.61 0.00 0.00 178.31 177.21 3ag4 h ALA 69 N 1.03 1.05 -0.18 2.45 0.00 -1.96 -0.05 119.26 121.60 3ag4 h ALA 69 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ag4 h ALA 69 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ag4 h ALA 69 CO -0.41 -0.06 0.03 0.93 0.00 0.00 0.00 179.25 179.74 3ag4 h GLU 70 N 0.60 0.29 0.00 0.00 5.08 -1.84 -3.01 114.58 115.70 3ag4 h GLU 70 Ca 0.38 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3ag4 h GLU 70 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3ag4 h GLU 70 CO -0.30 0.46 -0.22 0.00 -1.00 0.00 0.00 179.01 177.95 3ag4 h MET 71 N 0.08 0.00 -0.70 2.33 -0.00 -0.57 -2.99 114.93 113.08 3ag4 h MET 71 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 3ag4 h MET 71 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 3ag4 h MET 71 CO 0.00 0.22 0.00 0.09 -0.00 0.00 0.00 176.91 177.23 3ag4 n ASN 72 N -3.35 4.55 -4.77 -0.10 3.02 -0.07 -4.98 115.26 109.56 3ag4 n ASN 72 Ca 0.00 -2.29 -0.39 0.00 -0.03 0.00 0.00 54.58 51.88 3ag4 n ASN 72 Cb 0.45 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3ag4 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ag4 s ARG 73 N -1.55 4.19 0.71 3.52 1.70 -1.13 -5.01 118.95 121.38 3ag4 s ARG 73 Ca 0.51 1.85 -0.11 0.00 -0.47 0.00 0.00 55.73 57.52 3ag4 s ARG 73 Cb 0.31 -2.79 0.03 0.00 -0.57 0.00 0.00 34.95 31.93 3ag4 s ARG 73 CO 0.28 -0.20 1.08 -1.54 -1.08 0.00 0.00 175.30 173.84 3ag4 s SER 74 N -1.06 5.27 0.27 -2.89 1.04 -1.26 -5.08 113.70 109.99 3ag4 s SER 74 Ca 0.54 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.97 3ag4 s SER 74 Cb -0.31 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 3ag4 s SER 74 CO 0.40 -1.42 0.13 0.42 0.98 0.00 0.00 173.24 173.75 3ag4 s THR 75 N -3.35 0.40 -2.12 2.02 -4.23 -1.26 -5.04 115.64 102.07 3ag4 s THR 75 Ca 0.58 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.28 3ag4 s THR 75 Cb -0.11 -2.57 0.47 0.00 1.34 0.00 0.00 72.50 71.63 3ag4 s THR 75 CO 0.50 0.00 1.42 0.59 -0.54 0.00 0.00 174.62 176.59 3ag4 n ASN 76 N -0.65 2.82 -0.24 3.99 3.02 -1.26 -4.50 115.26 118.45 3ag4 n ASN 76 Ca 0.01 -1.96 0.20 0.00 -0.03 0.00 0.00 54.58 52.80 3ag4 n ASN 76 Cb 0.66 -0.31 0.53 0.00 -0.61 0.00 0.00 39.78 40.04 3ag4 n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ag4 h GLU 77 N 3.25 0.36 -0.71 3.52 4.81 -2.01 -1.49 114.58 122.32 3ag4 h GLU 77 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3ag4 h GLU 77 Cb 0.74 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 3ag4 h GLU 77 CO 0.00 0.24 0.47 0.11 -0.73 0.00 0.00 179.01 179.10 3ag4 h TRP 78 N 0.38 0.85 -0.23 0.92 5.08 -2.00 -1.39 115.95 119.55 3ag4 h TRP 78 Ca 0.47 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.46 3ag4 h TRP 78 Cb 1.22 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 3ag4 h TRP 78 CO -0.00 0.51 0.14 0.87 -1.28 0.00 0.00 178.44 178.67 3ag4 h LYS 79 N 0.89 0.31 -0.60 0.12 1.57 -1.63 0.07 116.57 117.30 3ag4 h LYS 79 Ca 0.27 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3ag4 h LYS 79 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3ag4 h LYS 79 CO -0.07 0.25 0.40 1.15 -0.57 0.00 0.00 179.45 180.61 3ag4 h THR 80 N 0.28 1.15 0.21 -0.16 2.02 -1.48 0.15 112.91 115.08 3ag4 h THR 80 Ca 0.08 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3ag4 h THR 80 Cb 0.02 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3ag4 h THR 80 CO -0.02 0.15 -0.13 0.58 0.37 0.00 0.00 175.52 176.47 3ag4 h VAL 81 N 0.81 0.72 -0.24 3.16 2.07 -0.92 -0.08 116.25 121.78 3ag4 h VAL 81 Ca 0.22 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.58 3ag4 h VAL 81 Cb -0.08 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3ag4 h VAL 81 CO -0.05 0.00 -0.50 0.58 0.02 0.00 0.00 177.57 177.61 3ag4 h VAL 82 N -0.33 1.30 -0.66 2.57 2.07 -0.95 -0.78 116.25 119.47 3ag4 h VAL 82 Ca -0.02 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 3ag4 h VAL 82 Cb 0.28 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3ag4 h VAL 82 CO 0.02 0.55 0.27 1.23 0.02 0.00 0.00 177.57 179.65 3ag4 h GLY 83 N 0.50 1.05 0.84 2.17 0.00 -0.97 -2.09 103.07 104.57 3ag4 h GLY 83 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3ag4 h GLY 83 CO 0.11 0.53 -0.21 0.00 0.00 0.00 0.00 176.54 176.97 3ag4 h ALA 84 N 1.12 0.30 -0.56 3.60 0.00 -0.91 -0.61 119.26 122.19 3ag4 h ALA 84 Ca 0.22 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ag4 h ALA 84 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3ag4 h ALA 84 CO -0.02 0.25 0.32 0.00 0.00 0.00 0.00 179.25 179.80 3ag4 h ALA 85 N 0.65 0.72 -0.40 0.00 0.00 -1.04 -1.09 119.26 118.10 3ag4 h ALA 85 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ag4 h ALA 85 Cb 0.76 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ag4 h ALA 85 CO 0.05 0.02 0.07 0.52 0.00 0.00 0.00 179.25 179.91 3ag4 h MET 86 N 0.62 0.60 0.17 0.00 2.07 -1.31 0.51 114.93 117.59 3ag4 h MET 86 Ca 0.23 -0.11 -0.01 0.00 -2.07 0.00 0.00 59.70 57.75 3ag4 h MET 86 Cb 0.07 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.71 3ag4 h MET 86 CO -0.12 0.57 -0.08 0.35 1.07 0.00 0.00 176.91 178.69 3ag4 h PHE 87 N 0.58 -0.22 0.00 -0.22 3.57 -0.13 0.13 116.94 120.65 3ag4 h PHE 87 Ca 0.13 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3ag4 h PHE 87 Cb 0.26 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3ag4 h PHE 87 CO 0.01 -0.07 -0.32 0.74 -2.23 0.00 0.00 178.31 176.44 3ag4 h PHE 88 N -0.31 0.00 -0.38 0.41 -1.00 -0.98 0.32 116.94 114.99 3ag4 h PHE 88 Ca -0.02 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.61 3ag4 h PHE 88 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3ag4 h PHE 88 CO -0.04 0.32 -0.33 0.82 -1.61 0.00 0.00 178.31 177.47 3ag4 h ILE 89 N 0.00 1.28 -0.44 -0.55 2.04 -0.66 -1.27 117.51 117.90 3ag4 h ILE 89 Ca -0.00 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 3ag4 h ILE 89 Cb 0.59 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3ag4 h ILE 89 CO 0.04 0.50 0.23 1.23 0.00 0.00 0.00 178.15 180.15 3ag4 h GLY 90 N 0.70 0.67 0.67 5.37 0.00 0.04 -2.73 103.07 107.80 3ag4 h GLY 90 Ca 0.07 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.19 3ag4 h GLY 90 CO 0.08 0.30 0.57 -2.75 0.00 0.00 0.00 176.54 174.75 3ag4 h PHE 91 N 0.58 0.92 -0.78 5.60 3.57 -0.13 -2.30 116.94 124.40 3ag4 h PHE 91 Ca 0.15 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.79 3ag4 h PHE 91 Cb 0.08 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.45 3ag4 h PHE 91 CO -0.02 0.40 0.39 1.15 -2.23 0.00 0.00 178.31 178.01 3ag4 h THR 92 N 0.83 0.81 -0.81 4.41 2.02 -0.92 -0.86 112.91 118.39 3ag4 h THR 92 Ca 0.42 -0.22 0.10 0.00 0.77 0.00 0.00 66.41 67.48 3ag4 h THR 92 Cb 0.49 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 3ag4 h THR 92 CO -0.19 0.11 0.53 0.00 0.37 0.00 0.00 175.52 176.35 3ag4 h ALA 93 N 1.48 1.74 -0.49 6.16 0.00 -1.33 -1.54 119.26 125.28 3ag4 h ALA 93 Ca 0.40 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3ag4 h ALA 93 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ag4 h ALA 93 CO -0.30 0.09 -0.00 -0.07 0.00 0.00 0.00 179.25 178.97 3ag4 h LEU 94 N 0.76 0.79 -1.08 0.00 3.38 -1.12 0.34 115.31 118.36 3ag4 h LEU 94 Ca 0.38 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ag4 h LEU 94 Cb 0.44 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ag4 h LEU 94 CO -0.15 0.86 0.07 -0.07 0.09 0.00 0.00 178.44 179.23 3ag4 h LEU 95 N 0.76 0.67 -0.27 1.67 3.38 -1.06 -0.29 115.31 120.18 3ag4 h LEU 95 Ca 0.15 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 3ag4 h LEU 95 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ag4 h LEU 95 CO 0.02 0.70 -0.71 -0.07 0.09 0.00 0.00 178.44 178.47 3ag4 h LEU 96 N 0.69 0.82 -0.19 1.67 3.38 -0.76 0.34 115.31 121.26 3ag4 h LEU 96 Ca 0.15 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ag4 h LEU 96 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ag4 h LEU 96 CO 0.01 1.29 0.11 0.40 0.09 0.00 0.00 178.44 180.34 3ag4 h ILE 97 N 0.49 1.09 -0.23 1.22 2.04 -0.75 -0.08 117.51 121.29 3ag4 h ILE 97 Ca -0.03 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3ag4 h ILE 97 Cb 1.32 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3ag4 h ILE 97 CO 0.14 0.08 0.04 -0.25 0.00 0.00 0.00 178.15 178.16 3ag4 h TRP 98 N 0.22 0.06 -0.69 1.37 7.01 -0.84 -1.34 115.95 121.73 3ag4 h TRP 98 Ca 0.07 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.11 3ag4 h TRP 98 Cb 0.04 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 3ag4 h TRP 98 CO -0.05 0.01 0.44 1.49 -2.79 0.00 0.00 178.44 177.54 3ag4 h GLU 99 N 0.12 0.83 -0.67 2.65 4.81 -0.78 0.16 114.58 121.70 3ag4 h GLU 99 Ca 0.10 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ag4 h GLU 99 Cb 0.11 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3ag4 h GLU 99 CO -0.14 0.55 0.39 -0.22 -0.73 0.00 0.00 179.01 178.86 3ag4 h LYS 100 N 0.86 0.92 -0.12 1.92 1.63 -0.54 0.10 116.57 121.34 3ag4 h LYS 100 Ca 0.28 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 3ag4 h LYS 100 Cb 0.01 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 3ag4 h LYS 100 CO -0.10 0.67 -0.26 1.25 -3.45 0.00 0.00 179.45 177.56 3ag4 h HIS 101 N 0.92 0.50 0.00 1.91 2.76 -0.77 -3.35 115.15 117.13 3ag4 h HIS 101 Ca 0.24 -0.18 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3ag4 h HIS 101 Cb -0.00 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 3ag4 h HIS 101 CO -0.01 0.88 -1.81 0.66 -1.30 0.00 0.00 177.93 176.35 3ag4 n TYR 102 N -4.45 0.00 -0.11 5.26 4.01 0.51 -4.77 117.16 117.62 3ag4 n TYR 102 Ca -0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 3ag4 n TYR 102 Cb 0.45 -0.43 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 3ag4 n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ag4 n VAL 103 N -2.14 1.26 -2.91 -0.72 0.31 0.27 -4.96 118.33 109.44 3ag4 n VAL 103 Ca -0.06 -0.35 -0.40 0.00 -0.01 0.00 0.00 64.34 63.53 3ag4 n VAL 103 Cb 0.50 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 3ag4 n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag4 s TYR 104 N -2.42 3.83 0.00 3.52 4.12 -0.69 -5.05 117.35 120.66 3ag4 s TYR 104 Ca -0.32 1.63 0.00 0.00 0.02 0.00 0.00 57.07 58.41 3ag4 s TYR 104 Cb 0.12 -2.87 0.00 0.00 -1.52 0.00 0.00 41.96 37.69 3ag4 s TYR 104 CO 0.42 0.35 0.00 0.41 0.02 0.00 0.00 175.55 176.75 3ag4 n GLY 105 N 2.04 0.06 3.77 0.71 0.00 -1.26 -4.80 105.19 105.71 3ag4 n GLY 105 Ca -0.02 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 3ag4 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ag4 s PRO 106 N -2.41 3.90 0.74 1.61 0.04 -1.26 -5.03 135.00 132.59 3ag4 s PRO 106 Ca 0.00 2.28 -0.08 0.00 0.04 0.00 0.00 61.00 63.24 3ag4 s PRO 106 Cb 0.00 -2.75 0.08 0.00 0.04 0.00 0.00 34.50 31.87 3ag4 s PRO 106 CO 0.00 -0.59 1.06 0.96 0.04 0.00 0.00 177.00 178.47 3ag4 s ILE 107 N -1.22 2.21 0.78 0.56 -4.36 -1.26 -5.02 121.20 112.88 3ag4 s ILE 107 Ca 0.57 -0.25 -0.15 0.00 -0.26 0.00 0.00 60.65 60.57 3ag4 s ILE 107 Cb -0.41 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.37 3ag4 s ILE 107 CO 0.53 0.00 0.87 -2.65 0.24 0.00 0.00 174.94 173.93 3ag4 n PRO 108 N -3.04 0.26 0.20 0.37 -0.02 -1.26 -4.87 135.00 126.64 3ag4 n PRO 108 Ca 0.09 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3ag4 n PRO 108 Cb 0.60 -2.15 0.67 0.00 -0.02 0.00 0.00 33.50 32.60 3ag4 n PRO 108 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3ag4 h HIS 109 N -0.65 0.00 0.00 6.00 2.07 -2.01 -2.57 115.15 117.99 3ag4 h HIS 109 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3ag4 h HIS 109 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3ag4 h HIS 109 CO 0.41 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.52 3ag4 n THR 110 N -2.52 0.60 0.46 6.12 -2.24 -1.26 -1.43 114.28 114.02 3ag4 n THR 110 Ca -0.00 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 3ag4 n THR 110 Cb 0.16 -0.89 0.26 0.00 -2.10 0.00 0.00 70.33 67.76 3ag4 n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ag4 n PHE 111 N -1.31 0.51 -2.07 4.78 3.01 -0.97 -4.21 117.46 117.20 3ag4 n PHE 111 Ca 0.07 -0.26 -0.33 0.00 1.01 0.00 0.00 57.45 57.95 3ag4 n PHE 111 Cb 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 3ag4 n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3ag4 s GLU 112 N -1.49 3.36 0.17 -1.08 2.02 -0.51 -4.80 118.70 116.38 3ag4 s GLU 112 Ca 0.38 1.20 -0.14 0.00 0.02 0.00 0.00 54.97 56.42 3ag4 s GLU 112 Cb 0.21 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 32.48 3ag4 s GLU 112 CO 0.29 -0.78 1.83 1.49 0.02 0.00 0.00 175.26 178.11 3ag4 h GLU 113 N 0.48 0.65 -0.25 1.61 4.81 -1.92 0.06 114.58 120.01 3ag4 h GLU 113 Ca -0.47 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.55 3ag4 h GLU 113 Cb 1.22 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3ag4 h GLU 113 CO 0.58 0.43 -0.53 1.49 -0.73 0.00 0.00 179.01 180.25 3ag4 h GLU 114 N 0.67 0.80 -0.16 1.92 4.81 -1.96 -1.23 114.58 119.43 3ag4 h GLU 114 Ca 0.20 -0.53 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3ag4 h GLU 114 Cb -0.04 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 3ag4 h GLU 114 CO -0.06 1.16 -0.24 2.35 -0.73 0.00 0.00 179.01 181.49 3ag4 h TRP 115 N 0.56 -0.62 -0.80 0.92 2.91 -1.73 -1.39 115.95 115.79 3ag4 h TRP 115 Ca 0.01 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.16 3ag4 h TRP 115 Cb 1.14 0.30 -0.08 0.00 -0.51 0.00 0.00 29.16 30.02 3ag4 h TRP 115 CO 0.08 -0.32 0.44 0.28 -1.03 0.00 0.00 178.44 177.90 3ag4 h VAL 116 N -0.28 0.87 -0.84 2.65 2.07 -0.82 -0.45 116.25 119.46 3ag4 h VAL 116 Ca 0.11 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3ag4 h VAL 116 Cb 0.45 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3ag4 h VAL 116 CO -0.33 0.13 0.39 0.00 0.02 0.00 0.00 177.57 177.79 3ag4 h ALA 117 N 1.46 1.10 -0.24 1.67 0.00 -0.81 0.39 119.26 122.83 3ag4 h ALA 117 Ca 0.40 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3ag4 h ALA 117 Cb 0.40 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ag4 h ALA 117 CO -0.26 0.67 -0.41 0.87 0.00 0.00 0.00 179.25 180.11 3ag4 h LYS 118 N 1.21 0.71 -0.69 0.00 1.57 -0.77 -1.92 116.57 116.68 3ag4 h LYS 118 Ca 0.29 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3ag4 h LYS 118 Cb 0.13 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3ag4 h LYS 118 CO -0.03 1.06 0.46 0.37 -0.57 0.00 0.00 179.45 180.73 3ag4 h GLN 119 N 0.43 0.91 -0.14 3.15 4.15 -1.01 0.14 115.11 122.74 3ag4 h GLN 119 Ca 0.02 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3ag4 h GLN 119 Cb 1.01 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 3ag4 h GLN 119 CO 0.09 0.60 0.08 1.15 -1.93 0.00 0.00 178.83 178.83 3ag4 h THR 120 N 0.94 1.07 -0.42 2.39 2.02 -0.86 -0.26 112.91 117.78 3ag4 h THR 120 Ca 0.25 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3ag4 h THR 120 Cb -0.11 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 3ag4 h THR 120 CO -0.05 0.06 0.14 0.50 0.37 0.00 0.00 175.52 176.54 3ag4 h LYS 121 N 0.16 0.30 -0.95 6.66 3.64 -0.66 -0.69 116.57 125.02 3ag4 h LYS 121 Ca 0.05 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3ag4 h LYS 121 Cb 0.03 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 3ag4 h LYS 121 CO -0.01 0.20 0.62 -0.09 -2.27 0.00 0.00 179.45 177.89 3ag4 h ARG 122 N 0.31 1.09 -0.41 1.90 2.43 -0.69 0.25 114.38 119.25 3ag4 h ARG 122 Ca 0.20 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3ag4 h ARG 122 Cb 0.19 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3ag4 h ARG 122 CO -0.21 0.72 0.18 0.52 -1.51 0.00 0.00 179.97 179.68 3ag4 h MET 123 N 1.12 0.60 -0.93 0.20 2.86 -0.66 -0.30 114.93 117.83 3ag4 h MET 123 Ca 0.40 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3ag4 h MET 123 Cb 0.13 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3ag4 h MET 123 CO -0.14 0.54 0.56 -0.07 1.06 0.00 0.00 176.91 178.86 3ag4 h LEU 124 N 0.52 1.11 -1.41 1.22 3.38 -0.68 -0.06 115.31 119.39 3ag4 h LEU 124 Ca 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3ag4 h LEU 124 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ag4 h LEU 124 CO -0.01 0.85 -0.02 0.44 0.09 0.00 0.00 178.44 179.78 3ag4 h ASP 125 N 1.28 0.33 -0.37 -0.43 3.45 -0.18 -0.65 116.42 119.85 3ag4 h ASP 125 Ca 0.33 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.74 3ag4 h ASP 125 Cb -0.06 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3ag4 h ASP 125 CO -0.06 0.41 0.00 1.15 -1.57 0.00 0.00 179.24 179.16 3ag4 n MET 126 N -4.32 2.13 -3.74 3.56 0.00 -0.15 -4.93 117.12 109.66 3ag4 n MET 126 Ca 0.00 -1.73 -0.25 0.00 0.00 0.00 0.00 57.70 55.72 3ag4 n MET 126 Cb 0.22 -1.43 0.05 0.00 0.00 0.00 0.00 33.22 32.06 3ag4 n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3ag4 n LYS 127 N 0.93 -6.12 -1.65 3.17 5.02 -0.25 -4.92 118.16 114.33 3ag4 n LYS 127 Ca 0.17 0.69 -0.54 0.00 -2.02 0.00 0.00 58.31 56.61 3ag4 n LYS 127 Cb 0.45 -5.56 -0.06 0.00 -0.02 0.00 0.00 35.03 29.84 3ag4 n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ag4 n VAL 128 N -4.62 0.17 -3.69 -0.18 0.31 -0.16 -3.43 118.33 106.73 3ag4 n VAL 128 Ca -0.08 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 63.96 3ag4 n VAL 128 Cb 0.58 -1.11 0.02 0.00 -0.91 0.00 0.00 33.84 32.42 3ag4 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag4 n ALA 129 N 4.05 -2.66 0.40 3.52 0.00 -1.26 -0.04 120.51 124.52 3ag4 n ALA 129 Ca 0.22 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3ag4 n ALA 129 Cb 0.18 -2.11 0.23 0.00 0.00 0.00 0.00 19.45 17.74 3ag4 n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ag4 h PRO 130 N -1.00 0.00 0.09 0.00 0.13 -1.91 -0.05 132.00 129.25 3ag4 h PRO 130 Ca -0.55 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.40 3ag4 h PRO 130 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3ag4 h PRO 130 CO 0.41 0.00 -0.89 0.82 -0.23 0.00 0.00 178.00 178.11 3ag4 h ILE 131 N 0.00 1.34 0.00 -3.56 5.03 -1.91 -3.20 117.51 115.21 3ag4 h ILE 131 Ca 0.00 -2.41 0.00 0.00 -0.12 0.00 0.00 64.86 62.33 3ag4 h ILE 131 Cb 0.87 2.96 0.00 0.00 -3.03 0.00 0.00 36.82 37.62 3ag4 h ILE 131 CO 0.00 0.64 0.00 0.00 -0.68 0.00 0.00 178.15 178.11 3ag4 n GLN 132 N -4.20 0.00 0.09 2.37 6.02 -1.25 -4.82 117.38 115.60 3ag4 n GLN 132 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.59 3ag4 n GLN 132 Cb 0.76 -0.39 -0.12 0.00 1.02 0.00 0.00 30.24 31.50 3ag4 n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3ag4 h GLY 133 N 0.00 0.65 0.00 1.08 0.00 -1.81 -3.43 103.07 99.56 3ag4 h GLY 133 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 47.33 45.98 3ag4 h GLY 133 CO 0.00 1.19 0.00 0.33 0.00 0.00 0.00 176.54 178.06 3ag4 n PHE 134 N -3.76 -0.14 -0.15 5.60 7.35 -0.07 -4.88 117.46 121.42 3ag4 n PHE 134 Ca -0.13 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.60 3ag4 n PHE 134 Cb 0.98 0.21 0.33 0.00 0.35 0.00 0.00 39.48 41.34 3ag4 n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3ag4 h SER 135 N 0.00 0.69 -0.85 -2.13 0.02 -0.08 0.11 113.55 111.31 3ag4 h SER 135 Ca 0.00 -0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.19 3ag4 h SER 135 Cb 0.00 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3ag4 h SER 135 CO 0.00 0.49 0.84 0.00 -1.14 0.00 0.00 176.83 177.01 3ag4 h ALA 136 N 1.61 2.69 -0.11 3.77 0.00 -1.50 0.02 119.26 125.74 3ag4 h ALA 136 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ag4 h ALA 136 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ag4 h ALA 136 CO -0.07 -1.27 0.00 1.63 0.00 0.00 0.00 179.25 179.54 3ag4 n LYS 137 N -3.65 2.05 -4.08 0.00 5.02 0.37 -4.86 118.16 113.01 3ag4 n LYS 137 Ca 0.18 -1.54 -0.36 0.00 -2.02 0.00 0.00 58.31 54.57 3ag4 n LYS 137 Cb 1.12 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 3ag4 n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3ag4 s TRP 138 N -1.87 3.39 -0.47 2.13 -0.11 -0.01 -1.05 118.94 120.95 3ag4 s TRP 138 Ca 0.34 0.35 -0.21 0.00 1.22 0.00 0.00 56.10 57.79 3ag4 s TRP 138 Cb 0.20 -1.90 0.04 0.00 -1.50 0.00 0.00 33.47 30.31 3ag4 s TRP 138 CO 0.31 0.56 0.69 0.34 -4.62 0.00 0.00 176.95 174.23 3ag4 s ASP 139 N -0.79 6.30 0.26 5.86 -1.08 0.13 -4.76 116.67 122.60 3ag4 s ASP 139 Ca 0.13 -0.49 0.25 0.00 -0.52 0.00 0.00 52.55 51.92 3ag4 s ASP 139 Cb -0.12 -2.33 0.73 0.00 -1.46 0.00 0.00 42.92 39.74 3ag4 s ASP 139 CO 0.03 -0.88 1.74 1.88 0.52 0.00 0.00 175.17 178.46 3ag4 h TYR 140 N 8.98 0.00 0.00 -5.34 0.05 -1.93 0.11 116.97 118.84 3ag4 h TYR 140 Ca -0.26 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.51 3ag4 h TYR 140 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 3ag4 h TYR 140 CO 0.76 0.00 -0.11 -0.44 -1.05 0.00 0.00 178.16 177.32 3ag4 h ASP 141 N 0.00 0.00 0.32 3.88 3.45 -1.94 -3.35 116.42 118.77 3ag4 h ASP 141 Ca 0.00 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3ag4 h ASP 141 Cb 0.77 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3ag4 h ASP 141 CO 0.00 0.71 0.00 0.29 -1.57 0.00 0.00 179.24 178.67 3ag4 n LYS 142 N -4.70 0.59 -3.86 3.56 5.02 -1.23 -4.92 118.16 112.63 3ag4 n LYS 142 Ca -0.05 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 3ag4 n LYS 142 Cb 0.19 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3ag4 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ag4 n ASN 143 N -1.17 -1.33 -3.83 4.39 4.05 0.34 -4.99 115.26 112.71 3ag4 n ASN 143 Ca 0.16 -0.90 -0.10 0.00 0.45 0.00 0.00 54.58 54.19 3ag4 n ASN 143 Cb 0.17 -3.56 -0.05 0.00 1.23 0.00 0.00 39.78 37.58 3ag4 n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3ag4 s GLU 144 N -6.34 1.64 0.19 1.20 -1.05 -1.06 -5.01 118.70 108.28 3ag4 s GLU 144 Ca 0.12 -1.34 -0.31 0.00 -0.15 0.00 0.00 54.97 53.29 3ag4 s GLU 144 Cb -0.06 0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 34.01 3ag4 s GLU 144 CO 0.85 -0.69 1.50 -1.58 0.95 0.00 0.00 175.26 176.29 3ag4 s TRP 145 N -3.78 3.06 0.19 4.83 0.52 -1.26 0.18 118.94 122.68 3ag4 s TRP 145 Ca 0.23 0.82 -0.32 0.00 0.02 0.00 0.00 56.10 56.86 3ag4 s TRP 145 Cb -0.01 -3.86 -0.15 0.00 -1.15 0.00 0.00 33.47 28.30 3ag4 s TRP 145 CO 0.11 -3.01 1.22 1.63 0.02 0.00 0.00 176.95 176.92 3ag4 n LYS 146 N 3.29 1.40 0.00 4.98 5.02 -0.21 -4.75 118.16 127.89 3ag4 n LYS 146 Ca 0.11 0.50 0.13 0.00 -2.02 0.00 0.00 58.31 57.03 3ag4 n LYS 146 Cb 0.40 -2.03 0.80 0.00 -0.02 0.00 0.00 35.03 34.17 3ag4 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51