#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s VAL 5 N 0.00 4.42 0.28 0.44 1.01 -1.26 -5.07 120.40 120.22 3ag4 s VAL 5 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 3ag4 s VAL 5 Cb 0.00 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3ag4 s VAL 5 CO 0.00 -0.89 0.49 -0.69 0.00 0.00 0.00 175.10 174.01 3ag4 s VAL 6 N 3.89 5.12 0.37 2.92 1.01 -1.26 -5.14 120.40 127.30 3ag4 s VAL 6 Ca 0.38 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.10 3ag4 s VAL 6 Cb -0.10 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 3ag4 s VAL 6 CO 0.27 -0.37 -0.00 -0.54 0.00 0.00 0.00 175.10 174.46 3ag4 s LYS 7 N -3.79 1.83 0.03 2.72 -0.14 -1.26 -5.11 119.74 114.02 3ag4 s LYS 7 Ca 0.40 -2.01 -0.25 0.00 -1.36 0.00 0.00 55.97 52.75 3ag4 s LYS 7 Cb -0.10 -1.44 -0.17 0.00 -1.68 0.00 0.00 37.83 34.43 3ag4 s LYS 7 CO 0.32 -0.04 1.44 0.77 -0.76 0.00 0.00 175.35 177.09 3ag4 h SER 8 N 1.93 -0.18 -0.37 2.83 0.02 -2.05 -3.23 113.55 112.50 3ag4 h SER 8 Ca -0.43 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.21 3ag4 h SER 8 Cb 1.24 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 3ag4 h SER 8 CO 0.76 0.09 0.16 -1.84 -1.14 0.00 0.00 176.83 174.85 3ag4 n GLU 9 N -5.07 2.21 -0.13 3.45 0.00 -1.26 -2.97 120.64 116.87 3ag4 n GLU 9 Ca -0.09 -1.46 0.08 0.00 0.00 0.00 0.00 57.16 55.70 3ag4 n GLU 9 Cb 0.19 -1.71 0.15 0.00 0.00 0.00 0.00 31.44 30.08 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 0.00 2.91 0.33 -1.84 9.92 -1.22 -4.16 116.55 122.50 3ag4 n ASP 10 Ca 0.21 -1.85 0.21 0.00 -0.53 0.00 0.00 54.79 52.82 3ag4 n ASP 10 Cb 0.88 -0.18 1.11 0.00 -0.64 0.00 0.00 41.12 42.30 3ag4 n ASP 10 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3ag4 h TYR 11 N 3.22 0.00 -0.01 1.24 -0.00 -1.74 -2.57 116.97 117.11 3ag4 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3ag4 h TYR 11 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.51 3ag4 h TYR 11 CO 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 178.16 178.27 3ag4 n ALA 12 N -2.05 2.71 -2.49 0.10 0.00 -1.26 -4.93 120.51 112.59 3ag4 n ALA 12 Ca -0.03 -0.34 -0.27 0.00 0.00 0.00 0.00 53.44 52.80 3ag4 n ALA 12 Cb 0.15 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.20 2.69 0.33 0.00 1.43 -0.97 -5.09 118.68 114.87 3ag4 s LEU 13 Ca 0.36 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 3ag4 s LEU 13 Cb 0.21 -1.41 -0.13 0.00 0.03 0.00 0.00 46.19 44.89 3ag4 s LEU 13 CO 0.40 0.12 1.04 -2.65 0.23 0.00 0.00 176.35 175.49 3ag4 n PRO 14 N 0.21 1.45 -4.52 1.29 -0.02 -1.26 -5.01 135.00 127.15 3ag4 n PRO 14 Ca -0.12 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3ag4 n PRO 14 Cb 0.55 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.57 2.81 -0.10 2.55 1.04 -1.26 -4.90 113.70 113.27 3ag4 s SER 15 Ca 0.59 -1.56 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 3ag4 s SER 15 Cb -0.65 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 3ag4 s SER 15 CO 0.60 -0.80 0.23 -0.47 0.98 0.00 0.00 173.24 173.78 3ag4 s TYR 16 N -3.19 3.59 -0.00 5.02 5.04 -1.26 -4.10 117.35 122.44 3ag4 s TYR 16 Ca 0.27 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.54 3ag4 s TYR 16 Cb 0.05 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.25 3ag4 s TYR 16 CO 0.14 0.60 -0.02 0.14 -1.34 0.00 0.00 175.55 175.07 3ag4 s VAL 17 N -0.69 0.17 -0.70 3.14 -7.23 -1.26 -5.07 120.40 108.75 3ag4 s VAL 17 Ca 0.17 -0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 3ag4 s VAL 17 Cb -0.13 -0.16 0.17 0.00 0.56 0.00 0.00 36.38 36.81 3ag4 s VAL 17 CO 0.06 0.06 0.69 -1.81 -0.31 0.00 0.00 175.10 173.79 3ag4 s ASP 18 N 0.09 6.48 -0.14 4.85 -0.00 -1.26 -4.63 116.67 122.05 3ag4 s ASP 18 Ca -0.01 -2.17 0.02 0.00 -0.00 0.00 0.00 52.55 50.39 3ag4 s ASP 18 Cb -0.02 -2.24 0.01 0.00 -0.00 0.00 0.00 42.92 40.67 3ag4 s ASP 18 CO -0.00 -0.78 -0.19 -0.13 -0.00 0.00 0.00 175.17 174.07 3ag4 s ARG 19 N 1.17 2.77 0.28 8.23 0.52 -1.26 -5.03 118.95 125.62 3ag4 s ARG 19 Ca 0.13 -0.76 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 3ag4 s ARG 19 Cb -0.18 -2.31 0.59 0.00 0.52 0.00 0.00 34.95 33.56 3ag4 s ARG 19 CO -0.03 -0.09 1.60 0.00 0.02 0.00 0.00 175.30 176.81 3ag4 h ARG 20 N 7.54 0.06 -0.05 3.54 3.08 -1.97 -0.91 114.38 125.67 3ag4 h ARG 20 Ca -0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3ag4 h ARG 20 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3ag4 h ARG 20 CO 0.55 0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 179.09 3ag4 n ASP 21 N -5.43 0.35 -3.17 7.04 5.75 -1.26 -4.04 116.55 115.78 3ag4 n ASP 21 Ca 0.18 -1.66 -0.22 0.00 -0.01 0.00 0.00 54.79 53.09 3ag4 n ASP 21 Cb 0.61 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.47 -0.36 0.10 2.11 9.36 -0.35 -5.00 117.16 122.55 3ag4 n TYR 22 Ca 0.10 -3.55 0.05 0.00 3.32 0.00 0.00 57.90 57.82 3ag4 n TYR 22 Cb 0.10 -0.29 0.50 0.00 -0.63 0.00 0.00 39.34 39.01 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 3.77 0.33 -3.48 2.98 0.13 -1.69 -3.36 132.00 130.69 3ag4 h PRO 23 Ca 0.07 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.50 3ag4 h PRO 23 Cb 0.91 -0.07 -0.38 0.00 0.13 0.00 0.00 31.00 31.59 3ag4 h PRO 23 CO 0.46 0.24 -0.46 -0.51 -0.23 0.00 0.00 178.00 177.50 3ag4 s LEU 24 N -9.30 4.89 0.89 1.56 1.43 -1.26 -4.96 118.68 111.92 3ag4 s LEU 24 Ca -0.07 -2.97 -0.10 0.00 -1.03 0.00 0.00 54.13 49.96 3ag4 s LEU 24 Cb 0.17 -1.77 0.13 0.00 0.03 0.00 0.00 46.19 44.75 3ag4 s LEU 24 CO 0.71 -0.30 1.13 -2.84 0.23 0.00 0.00 176.35 175.28 3ag4 s PRO 25 N -0.23 1.24 0.57 1.29 0.02 -1.26 -4.92 135.00 131.71 3ag4 s PRO 25 Ca 0.17 1.45 0.33 0.00 0.02 0.00 0.00 61.00 62.98 3ag4 s PRO 25 Cb -0.22 -1.76 1.74 0.00 0.02 0.00 0.00 34.50 34.28 3ag4 s PRO 25 CO -0.02 -2.45 2.16 -0.44 -0.33 0.00 0.00 177.00 175.92 3ag4 h ASP 26 N -1.73 0.00 -4.66 2.53 3.32 -1.94 -3.44 116.42 110.49 3ag4 h ASP 26 Ca -0.44 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.34 3ag4 h ASP 26 Cb 1.26 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.62 3ag4 h ASP 26 CO 0.44 0.06 -0.73 0.68 -1.72 0.00 0.00 179.24 177.97 3ag4 s VAL 27 N -4.14 0.66 0.44 -1.35 -7.23 -1.26 -4.98 120.40 102.53 3ag4 s VAL 27 Ca -0.03 -1.39 -0.25 0.00 -1.81 0.00 0.00 61.98 58.49 3ag4 s VAL 27 Cb 0.13 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.97 3ag4 s VAL 27 CO 0.53 -0.53 1.36 0.00 -0.31 0.00 0.00 175.10 176.14 3ag4 s ALA 28 N -2.13 3.20 0.14 1.32 0.00 -1.26 -4.74 121.76 118.30 3ag4 s ALA 28 Ca -0.02 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 3ag4 s ALA 28 Cb -0.05 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3ag4 s ALA 28 CO -0.01 -1.03 1.65 1.25 0.00 0.00 0.00 175.76 177.62 3ag4 h HIS 29 N 2.38 -0.48 -3.77 0.00 2.76 -1.03 -3.39 115.15 111.61 3ag4 h HIS 29 Ca -0.50 0.03 -0.66 0.00 -2.20 0.00 0.00 60.37 57.04 3ag4 h HIS 29 Cb 1.26 0.25 -0.19 0.00 1.55 0.00 0.00 27.41 30.28 3ag4 h HIS 29 CO 0.51 -0.26 -0.51 0.08 -1.30 0.00 0.00 177.93 176.45 3ag4 s VAL 30 N -6.13 5.16 -0.17 5.26 1.01 0.12 -1.17 120.40 124.48 3ag4 s VAL 30 Ca -0.14 -0.09 0.16 0.00 0.00 0.00 0.00 61.98 61.91 3ag4 s VAL 30 Cb 0.12 -3.56 -0.24 0.00 0.00 0.00 0.00 36.38 32.69 3ag4 s VAL 30 CO 0.68 0.12 0.18 2.29 0.00 0.00 0.00 175.10 178.37 3ag4 n LYS 31 N 5.06 0.68 -3.57 2.72 2.85 -1.26 -4.83 118.16 119.81 3ag4 n LYS 31 Ca -0.13 0.05 -0.41 0.00 -1.05 0.00 0.00 58.31 56.77 3ag4 n LYS 31 Cb 0.51 -1.57 -0.11 0.00 -0.65 0.00 0.00 35.03 33.20 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 -5.63 5.84 -0.15 -5.58 -0.87 -1.26 -5.05 114.94 102.23 3ag4 s ASN 32 Ca -0.10 -0.76 -0.23 0.00 -1.57 0.00 0.00 52.86 50.20 3ag4 s ASN 32 Cb 0.06 -2.07 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 3ag4 s ASN 32 CO 0.82 -0.33 0.72 -0.76 -2.57 0.00 0.00 177.10 174.98 3ag4 s LEU 33 N 1.63 4.20 1.18 0.60 1.43 -1.26 -5.06 118.68 121.40 3ag4 s LEU 33 Ca 0.04 1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 54.02 3ag4 s LEU 33 Cb -0.18 -3.06 0.22 0.00 0.03 0.00 0.00 46.19 43.20 3ag4 s LEU 33 CO 0.08 -0.27 0.54 -1.54 0.23 0.00 0.00 176.35 175.39 3ag4 n SER 34 N 4.77 -2.33 0.01 2.29 3.41 -1.26 -4.71 113.62 115.80 3ag4 n SER 34 Ca 0.01 -0.24 -0.10 0.00 -0.26 0.00 0.00 58.87 58.28 3ag4 n SER 34 Cb 0.50 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.33 3ag4 n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ag4 h ALA 35 N -2.55 -0.22 -0.31 7.33 0.00 -2.00 -1.62 119.26 119.88 3ag4 h ALA 35 Ca -0.56 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 3ag4 h ALA 35 Cb 1.32 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3ag4 h ALA 35 CO 0.42 -0.70 -0.48 0.66 0.00 0.00 0.00 179.25 179.15 3ag4 h SER 36 N -0.31 0.92 -0.57 0.00 4.64 -2.00 -3.04 113.55 113.20 3ag4 h SER 36 Ca 0.09 -0.46 0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3ag4 h SER 36 Cb 0.44 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 3ag4 h SER 36 CO -0.28 1.24 0.32 1.56 -0.87 0.00 0.00 176.83 178.81 3ag4 h GLN 37 N 0.66 0.61 -0.68 4.77 4.20 -1.86 0.18 115.11 122.99 3ag4 h GLN 37 Ca 0.03 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3ag4 h GLN 37 Cb 1.07 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 3ag4 h GLN 37 CO 0.11 0.40 0.45 0.87 -0.67 0.00 0.00 178.83 179.99 3ag4 h LYS 38 N 0.62 0.82 -0.14 1.46 1.57 -1.31 -1.07 116.57 118.53 3ag4 h LYS 38 Ca 0.24 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 3ag4 h LYS 38 Cb 0.09 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3ag4 h LYS 38 CO -0.13 0.55 -0.72 0.00 -0.57 0.00 0.00 179.45 178.57 3ag4 h ALA 39 N 1.60 0.48 -0.83 3.86 0.00 -1.15 -1.56 119.26 121.66 3ag4 h ALA 39 Ca 0.26 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ag4 h ALA 39 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ag4 h ALA 39 CO -0.07 0.72 0.52 1.25 0.00 0.00 0.00 179.25 181.67 3ag4 h LEU 40 N 0.43 0.97 -1.34 0.00 5.85 -0.32 0.39 115.31 121.30 3ag4 h LEU 40 Ca -0.03 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3ag4 h LEU 40 Cb 1.31 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3ag4 h LEU 40 CO 0.14 0.73 -0.28 0.11 -0.34 0.00 0.00 178.44 178.80 3ag4 h LYS 41 N 1.13 0.08 -0.04 1.25 1.79 -1.17 -1.00 116.57 118.61 3ag4 h LYS 41 Ca 0.30 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3ag4 h LYS 41 Cb -0.08 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3ag4 h LYS 41 CO -0.06 0.36 0.01 0.93 -1.08 0.00 0.00 179.45 179.60 3ag4 h GLU 42 N 0.08 0.07 0.00 3.15 4.39 -0.53 -3.04 114.58 118.69 3ag4 h GLU 42 Ca 0.01 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ag4 h GLU 42 Cb 0.53 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3ag4 h GLU 42 CO 0.04 0.31 -0.00 -0.22 -1.16 0.00 0.00 179.01 177.98 3ag4 h LYS 43 N -0.19 0.00 0.00 2.33 3.64 0.28 -2.21 116.57 120.42 3ag4 h LYS 43 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ag4 h LYS 43 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3ag4 h LYS 43 CO 0.00 0.00 0.00 1.49 -2.27 0.00 0.00 179.45 178.67 3ag4 h GLU 44 N 0.00 0.00 0.00 1.90 4.81 -1.07 0.17 114.58 120.39 3ag4 h GLU 44 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ag4 h GLU 44 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ag4 h GLU 44 CO 0.00 0.00 -0.00 1.63 -0.73 0.00 0.00 179.01 179.91 3ag4 n LYS 45 N -2.74 0.18 -2.38 1.92 5.02 -0.83 -4.77 118.16 114.56 3ag4 n LYS 45 Ca -0.01 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 3ag4 n LYS 45 Cb 0.16 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.07 3.43 0.09 7.82 0.00 0.05 -5.02 121.76 125.06 3ag4 s ALA 46 Ca 0.12 -1.17 -0.36 0.00 0.00 0.00 0.00 51.96 50.55 3ag4 s ALA 46 Cb 0.14 -2.36 -0.17 0.00 0.00 0.00 0.00 23.12 20.73 3ag4 s ALA 46 CO 0.58 -1.19 1.15 0.45 0.00 0.00 0.00 175.76 176.75 3ag4 n SER 47 N -2.76 0.86 0.24 0.00 2.88 -1.26 -4.83 113.62 108.75 3ag4 n SER 47 Ca 0.09 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.91 3ag4 n SER 47 Cb 0.60 -1.10 0.35 0.00 -0.75 0.00 0.00 64.21 63.31 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 3.50 0.00 0.00 0.66 6.55 -1.91 -2.06 115.95 122.68 3ag4 h TRP 48 Ca -0.46 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.34 3ag4 h TRP 48 Cb 1.37 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.67 3ag4 h TRP 48 CO 0.56 0.00 -0.22 0.77 -1.05 0.00 0.00 178.44 178.50 3ag4 h SER 49 N 0.00 0.00 0.15 -3.49 0.02 -2.00 -1.29 113.55 106.93 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 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3ag4 h SER 49 CO 0.00 0.22 0.00 -1.20 -1.14 0.00 0.00 176.83 174.71 3ag4 n SER 50 N -4.12 0.00 -4.79 3.07 7.64 -0.78 -4.76 113.62 109.89 3ag4 n SER 50 Ca -0.02 -0.41 -0.39 0.00 1.01 0.00 0.00 58.87 59.07 3ag4 n SER 50 Cb 0.29 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.23 4.47 0.62 -3.43 1.02 -0.49 -5.08 118.68 113.57 3ag4 s LEU 51 Ca 0.27 1.18 -0.15 0.00 0.02 0.00 0.00 54.13 55.44 3ag4 s LEU 51 Cb 0.14 -2.86 -0.02 0.00 0.02 0.00 0.00 46.19 43.47 3ag4 s LEU 51 CO 0.27 0.21 1.08 -0.94 0.02 0.00 0.00 176.35 176.99 3ag4 s SER 52 N -0.71 5.53 0.22 2.29 1.04 -1.26 -4.84 113.70 115.97 3ag4 s SER 52 Ca 0.29 1.89 -0.09 0.00 0.48 0.00 0.00 55.95 58.52 3ag4 s SER 52 Cb -0.19 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.74 3ag4 s SER 52 CO 0.17 -1.34 1.67 0.40 0.98 0.00 0.00 173.24 175.12 3ag4 h ILE 53 N 0.28 0.50 -0.62 -1.02 1.08 -1.97 0.34 117.51 116.11 3ag4 h ILE 53 Ca -0.47 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 3ag4 h ILE 53 Cb 1.23 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 3ag4 h ILE 53 CO 0.56 0.03 0.36 0.44 -0.69 0.00 0.00 178.15 178.85 3ag4 h ASP 54 N 0.17 0.74 -0.04 1.72 3.45 -1.99 0.28 116.42 120.75 3ag4 h ASP 54 Ca 0.35 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.73 3ag4 h ASP 54 Cb 0.58 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3ag4 h ASP 54 CO -0.52 0.59 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.31 3ag4 h GLU 55 N 0.85 0.14 -0.81 3.56 5.08 -1.49 -1.54 114.58 120.37 3ag4 h GLU 55 Ca 0.22 -0.09 0.15 0.00 -1.00 0.00 0.00 59.36 58.64 3ag4 h GLU 55 Cb -0.01 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.11 3ag4 h GLU 55 CO -0.04 0.69 -0.28 0.87 -1.00 0.00 0.00 179.01 179.24 3ag4 h LYS 56 N -0.38 -0.04 -0.85 2.33 1.57 0.00 0.74 116.57 119.94 3ag4 h LYS 56 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3ag4 h LYS 56 Cb 0.68 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 3ag4 h LYS 56 CO 0.02 -0.03 0.41 0.28 -0.57 0.00 0.00 179.45 179.57 3ag4 h VAL 57 N -0.04 1.26 -0.81 0.50 2.07 -0.94 -2.10 116.25 116.19 3ag4 h VAL 57 Ca 0.35 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3ag4 h VAL 57 Cb 0.59 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3ag4 h VAL 57 CO -0.85 0.31 0.35 -0.08 0.02 0.00 0.00 177.57 177.32 3ag4 h GLU 58 N 1.21 1.19 -0.77 1.57 4.81 -0.16 -0.56 114.58 121.87 3ag4 h GLU 58 Ca 0.29 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3ag4 h GLU 58 Cb 0.11 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3ag4 h GLU 58 CO -0.04 0.95 0.28 -0.07 -0.73 0.00 0.00 179.01 179.40 3ag4 h LEU 59 N 1.17 1.09 -0.19 1.64 3.38 -0.66 -1.41 115.31 120.34 3ag4 h LEU 59 Ca 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ag4 h LEU 59 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ag4 h LEU 59 CO -0.03 0.99 0.09 0.22 0.09 0.00 0.00 178.44 179.80 3ag4 h TYR 60 N 1.13 0.28 0.00 1.13 3.20 -1.09 -2.72 116.97 118.90 3ag4 h TYR 60 Ca 0.25 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3ag4 h TYR 60 Cb 0.26 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3ag4 h TYR 60 CO 0.02 0.30 0.00 0.00 -1.64 0.00 0.00 178.16 176.84 3ag4 h ARG 61 N 0.17 0.00 -0.28 1.82 2.47 -0.87 0.14 114.38 117.83 3ag4 h ARG 61 Ca 0.06 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 3ag4 h ARG 61 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3ag4 h ARG 61 CO -0.01 0.00 -0.20 -0.07 0.56 0.00 0.00 179.97 180.25 3ag4 h LEU 62 N 0.00 0.66 0.11 3.04 3.38 -1.04 -3.35 115.31 118.11 3ag4 h LEU 62 Ca 0.00 -0.44 -0.28 0.00 0.09 0.00 0.00 57.88 57.25 3ag4 h LEU 62 Cb 0.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ag4 h LEU 62 CO 0.00 0.96 -1.33 0.50 0.09 0.00 0.00 178.44 178.67 3ag4 h LYS 63 N 0.37 0.24 -5.79 1.13 1.63 -1.06 0.34 116.57 113.43 3ag4 h LYS 63 Ca 0.05 -0.40 -0.51 0.00 -0.85 0.00 0.00 60.65 58.94 3ag4 h LYS 63 Cb 0.74 0.15 -0.23 0.00 -0.60 0.00 0.00 32.23 32.29 3ag4 h LYS 63 CO 0.05 1.15 -0.81 -0.06 -3.45 0.00 0.00 179.45 176.33 3ag4 s PHE 64 N -2.65 1.55 -0.03 1.91 0.40 0.41 -1.14 117.98 118.43 3ag4 s PHE 64 Ca -0.05 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3ag4 s PHE 64 Cb 0.07 -0.88 -0.00 0.00 0.51 0.00 0.00 43.02 42.72 3ag4 s PHE 64 CO 0.87 0.11 -0.00 -0.22 0.70 0.00 0.00 175.22 176.68 3ag4 h LYS 65 N 4.50 0.00 -6.34 0.44 3.64 -1.85 -3.38 116.57 113.56 3ag4 h LYS 65 Ca -0.42 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.30 3ag4 h LYS 65 Cb 1.18 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 3ag4 h LYS 65 CO 0.42 0.00 -0.68 -1.21 -2.27 0.00 0.00 179.45 175.71 3ag4 s GLU 66 N -1.17 2.52 0.73 1.90 2.02 -1.26 -4.97 118.70 118.47 3ag4 s GLU 66 Ca -0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.06 3ag4 s GLU 66 Cb 0.00 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.74 3ag4 s GLU 66 CO 0.00 0.56 1.08 -1.54 0.02 0.00 0.00 175.26 175.38 3ag4 s SER 67 N -2.07 5.18 0.19 -0.19 1.04 -1.26 -4.81 113.70 111.77 3ag4 s SER 67 Ca 0.23 1.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.87 3ag4 s SER 67 Cb -0.11 -2.16 0.16 0.00 0.10 0.00 0.00 66.02 64.01 3ag4 s SER 67 CO 0.15 -1.54 1.79 -0.26 0.98 0.00 0.00 173.24 174.36 3ag4 h PHE 68 N -0.79 0.51 -0.82 5.02 -1.00 -2.00 0.11 116.94 117.97 3ag4 h PHE 68 Ca -0.45 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.42 3ag4 h PHE 68 Cb 1.24 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 40.59 3ag4 h PHE 68 CO 0.53 0.24 0.49 0.00 -1.61 0.00 0.00 178.31 177.97 3ag4 h ALA 69 N 1.29 1.14 0.03 2.45 0.00 -1.96 -1.55 119.26 120.66 3ag4 h ALA 69 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ag4 h ALA 69 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ag4 h ALA 69 CO -0.17 0.19 -0.01 0.93 0.00 0.00 0.00 179.25 180.19 3ag4 h GLU 70 N 0.87 -0.04 0.00 0.00 5.08 -1.78 -3.01 114.58 115.70 3ag4 h GLU 70 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3ag4 h GLU 70 Cb 0.24 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ag4 h GLU 70 CO -0.20 0.33 -0.10 0.00 -1.00 0.00 0.00 179.01 178.05 3ag4 h MET 71 N -0.41 0.00 -0.37 2.33 -0.00 -0.75 -2.84 114.93 112.90 3ag4 h MET 71 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ag4 h MET 71 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 3ag4 h MET 71 CO 0.01 0.10 0.00 0.09 -0.00 0.00 0.00 176.91 177.10 3ag4 n ASN 72 N -3.92 2.52 -4.79 -0.10 3.02 -0.59 -4.97 115.26 106.44 3ag4 n ASN 72 Ca -0.02 -1.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.29 3ag4 n ASN 72 Cb 0.19 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.52 3.26 0.37 3.52 1.70 -1.07 -5.03 118.95 120.18 3ag4 s ARG 73 Ca 0.34 1.34 0.07 0.00 -0.47 0.00 0.00 55.73 57.02 3ag4 s ARG 73 Cb 0.19 -2.02 -0.00 0.00 -0.57 0.00 0.00 34.95 32.55 3ag4 s ARG 73 CO 0.26 -0.88 0.49 -1.54 -1.08 0.00 0.00 175.30 172.55 3ag4 s SER 74 N -2.45 5.74 0.35 -2.89 1.04 -1.26 -5.10 113.70 109.13 3ag4 s SER 74 Ca 0.66 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.79 3ag4 s SER 74 Cb -0.18 -0.94 -0.05 0.00 0.10 0.00 0.00 66.02 64.94 3ag4 s SER 74 CO 0.34 -0.57 0.08 0.42 0.98 0.00 0.00 173.24 174.49 3ag4 s THR 75 N -2.27 1.00 -0.53 2.02 -4.23 -1.26 -5.03 115.64 105.33 3ag4 s THR 75 Ca 0.49 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 3ag4 s THR 75 Cb -0.09 -2.66 0.64 0.00 1.34 0.00 0.00 72.50 71.73 3ag4 s THR 75 CO 0.31 0.00 1.48 0.59 -0.54 0.00 0.00 174.62 176.47 3ag4 n ASN 76 N -0.84 4.62 -0.29 3.99 3.02 -1.26 -4.50 115.26 120.00 3ag4 n ASN 76 Ca -0.03 -2.68 0.02 0.00 -0.03 0.00 0.00 54.58 51.85 3ag4 n ASN 76 Cb 0.66 -0.63 0.15 0.00 -0.61 0.00 0.00 39.78 39.35 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 3.18 0.83 -0.82 3.52 4.81 -2.01 -2.53 114.58 121.55 3ag4 h GLU 77 Ca 0.00 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.34 3ag4 h GLU 77 Cb 1.60 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.74 3ag4 h GLU 77 CO 0.36 0.55 0.54 0.11 -0.73 0.00 0.00 179.01 179.84 3ag4 h TRP 78 N 0.85 0.57 0.13 0.92 5.08 -2.00 -0.51 115.95 120.99 3ag4 h TRP 78 Ca 0.38 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.36 3ag4 h TRP 78 Cb 0.27 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 3ag4 h TRP 78 CO -0.05 0.20 -0.06 0.87 -1.28 0.00 0.00 178.44 178.12 3ag4 h LYS 79 N 0.47 -0.16 -0.39 0.12 1.57 -1.80 0.99 116.57 117.36 3ag4 h LYS 79 Ca 0.41 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3ag4 h LYS 79 Cb 0.91 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 3ag4 h LYS 79 CO -0.15 -0.11 0.20 1.15 -0.57 0.00 0.00 179.45 179.97 3ag4 h THR 80 N -0.17 1.16 0.23 -0.16 2.02 -1.32 0.07 112.91 114.75 3ag4 h THR 80 Ca -0.02 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3ag4 h THR 80 Cb 0.13 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3ag4 h THR 80 CO 0.03 0.17 -0.11 0.58 0.37 0.00 0.00 175.52 176.56 3ag4 h VAL 81 N 0.49 0.82 -0.40 3.16 2.07 -0.83 0.91 116.25 122.47 3ag4 h VAL 81 Ca 0.13 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ag4 h VAL 81 Cb 0.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3ag4 h VAL 81 CO -0.02 0.05 0.19 0.58 0.02 0.00 0.00 177.57 178.39 3ag4 h VAL 82 N -0.43 1.18 -0.43 2.57 2.07 -0.86 -0.76 116.25 119.58 3ag4 h VAL 82 Ca -0.03 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3ag4 h VAL 82 Cb 0.33 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ag4 h VAL 82 CO 0.05 0.19 0.03 1.23 0.02 0.00 0.00 177.57 179.09 3ag4 h GLY 83 N 0.50 0.81 0.98 2.17 0.00 -0.91 -1.96 103.07 104.66 3ag4 h GLY 83 Ca 0.14 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.89 3ag4 h GLY 83 CO -0.02 0.53 0.22 0.00 0.00 0.00 0.00 176.54 177.28 3ag4 h ALA 84 N 0.92 0.44 -0.68 3.60 0.00 -0.62 -0.74 119.26 122.17 3ag4 h ALA 84 Ca 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3ag4 h ALA 84 Cb 0.45 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3ag4 h ALA 84 CO 0.02 -0.11 0.24 0.00 0.00 0.00 0.00 179.25 179.39 3ag4 h ALA 85 N 1.13 0.90 -0.58 0.00 0.00 -1.02 -0.39 119.26 119.30 3ag4 h ALA 85 Ca 0.13 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3ag4 h ALA 85 Cb -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ag4 h ALA 85 CO -0.04 -0.23 0.11 0.52 0.00 0.00 0.00 179.25 179.62 3ag4 h MET 86 N 0.39 0.92 -0.54 0.00 2.07 -1.09 0.58 114.93 117.27 3ag4 h MET 86 Ca 0.36 -0.21 0.07 0.00 -2.07 0.00 0.00 59.70 57.85 3ag4 h MET 86 Cb 0.52 -0.13 -0.06 0.00 -1.87 0.00 0.00 31.60 30.07 3ag4 h MET 86 CO -0.38 0.84 0.22 0.35 1.07 0.00 0.00 176.91 179.01 3ag4 h PHE 87 N 0.88 0.40 -0.29 -0.22 3.57 -0.20 0.30 116.94 121.38 3ag4 h PHE 87 Ca 0.18 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.53 3ag4 h PHE 87 Cb 0.36 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3ag4 h PHE 87 CO 0.02 0.15 -0.53 0.74 -2.23 0.00 0.00 178.31 176.46 3ag4 h PHE 88 N 0.43 1.07 -0.07 0.41 -1.00 -0.50 0.25 116.94 117.53 3ag4 h PHE 88 Ca 0.26 -0.38 -0.05 0.00 2.81 0.00 0.00 57.97 60.61 3ag4 h PHE 88 Cb 0.25 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3ag4 h PHE 88 CO -0.14 1.20 -0.19 0.82 -1.61 0.00 0.00 178.31 178.39 3ag4 h ILE 89 N 0.66 1.17 -0.04 -0.55 2.04 -0.77 0.12 117.51 120.15 3ag4 h ILE 89 Ca 0.02 -0.80 -0.25 0.00 1.00 0.00 0.00 64.86 64.83 3ag4 h ILE 89 Cb 1.13 1.33 0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3ag4 h ILE 89 CO 0.12 0.24 -0.96 1.23 0.00 0.00 0.00 178.15 178.78 3ag4 h GLY 90 N 0.72 0.77 1.87 5.37 0.00 0.05 -3.01 103.07 108.84 3ag4 h GLY 90 Ca 0.02 -1.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.02 3ag4 h GLY 90 CO 0.03 1.13 -0.20 -2.75 0.00 0.00 0.00 176.54 174.74 3ag4 h PHE 91 N 0.42 0.17 -0.33 5.60 3.57 0.11 -1.68 116.94 124.80 3ag4 h PHE 91 Ca -0.10 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 3ag4 h PHE 91 Cb 1.60 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.28 3ag4 h PHE 91 CO 0.09 0.36 0.16 1.15 -2.23 0.00 0.00 178.31 177.84 3ag4 h THR 92 N 0.15 1.12 0.00 4.41 2.02 -0.85 -1.64 112.91 118.12 3ag4 h THR 92 Ca 0.03 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3ag4 h THR 92 Cb 0.45 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3ag4 h THR 92 CO 0.03 0.14 -0.11 0.00 0.37 0.00 0.00 175.52 175.94 3ag4 h ALA 93 N 1.72 1.39 -0.18 6.16 0.00 -1.28 -1.25 119.26 125.82 3ag4 h ALA 93 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ag4 h ALA 93 Cb 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ag4 h ALA 93 CO -0.02 0.14 -0.07 -0.07 0.00 0.00 0.00 179.25 179.23 3ag4 h LEU 94 N 0.00 0.37 -0.53 0.00 3.38 -1.31 0.53 115.31 117.75 3ag4 h LEU 94 Ca -0.00 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.67 3ag4 h LEU 94 Cb 0.28 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 3ag4 h LEU 94 CO 0.01 0.69 0.04 -0.07 0.09 0.00 0.00 178.44 179.20 3ag4 h LEU 95 N 0.06 -0.14 -0.68 1.67 3.38 -1.14 0.49 115.31 118.95 3ag4 h LEU 95 Ca 0.04 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3ag4 h LEU 95 Cb 0.54 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ag4 h LEU 95 CO 0.02 -0.05 -0.34 -0.07 0.09 0.00 0.00 178.44 178.10 3ag4 h LEU 96 N 0.16 0.67 -0.46 1.67 3.38 -0.91 0.23 115.31 120.05 3ag4 h LEU 96 Ca 0.27 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ag4 h LEU 96 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ag4 h LEU 96 CO -0.41 0.96 0.30 0.40 0.09 0.00 0.00 178.44 179.77 3ag4 h ILE 97 N 0.55 1.12 -0.46 1.22 2.04 0.75 -0.76 117.51 121.97 3ag4 h ILE 97 Ca 0.06 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3ag4 h ILE 97 Cb 0.84 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3ag4 h ILE 97 CO 0.07 0.12 0.25 -0.25 0.00 0.00 0.00 178.15 178.34 3ag4 h TRP 98 N 0.62 0.47 -0.18 1.37 7.01 0.65 -1.53 115.95 124.37 3ag4 h TRP 98 Ca 0.17 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3ag4 h TRP 98 Cb -0.06 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 3ag4 h TRP 98 CO -0.04 0.26 0.02 1.49 -2.79 0.00 0.00 178.44 177.37 3ag4 h GLU 99 N 0.50 0.30 -0.59 2.65 4.81 -0.35 0.18 114.58 122.08 3ag4 h GLU 99 Ca 0.19 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ag4 h GLU 99 Cb 0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3ag4 h GLU 99 CO -0.11 0.48 0.37 -0.22 -0.73 0.00 0.00 179.01 178.80 3ag4 h LYS 100 N 0.07 0.79 0.07 1.92 1.63 -0.81 -1.01 116.57 119.23 3ag4 h LYS 100 Ca 0.05 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 3ag4 h LYS 100 Cb 0.33 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3ag4 h LYS 100 CO 0.01 0.54 -0.47 1.25 -3.45 0.00 0.00 179.45 177.32 3ag4 h HIS 101 N 0.81 0.34 0.00 1.91 2.76 -0.66 -3.34 115.15 116.97 3ag4 h HIS 101 Ca 0.21 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3ag4 h HIS 101 Cb -0.06 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.88 3ag4 h HIS 101 CO 0.00 1.15 -1.33 0.66 -1.30 0.00 0.00 177.93 177.11 3ag4 n TYR 102 N -4.33 0.01 0.03 5.26 4.01 0.56 -4.78 117.16 117.92 3ag4 n TYR 102 Ca -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.61 3ag4 n TYR 102 Cb 0.66 -0.19 -0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 -1.77 0.96 -2.20 -0.72 0.31 -0.41 -5.04 118.33 109.46 3ag4 n VAL 103 Ca 0.01 0.28 -0.41 0.00 -0.01 0.00 0.00 64.34 64.22 3ag4 n VAL 103 Cb 0.41 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.06 3.19 0.00 3.52 4.12 -1.05 -5.05 117.35 120.02 3ag4 s TYR 104 Ca -0.02 1.39 0.00 0.00 0.02 0.00 0.00 57.07 58.46 3ag4 s TYR 104 Cb 0.00 -3.60 0.00 0.00 -1.52 0.00 0.00 41.96 36.84 3ag4 s TYR 104 CO 0.03 -1.69 0.00 0.41 0.02 0.00 0.00 175.55 174.33 3ag4 n GLY 105 N 1.33 0.34 3.82 0.71 0.00 -1.26 -4.84 105.19 105.29 3ag4 n GLY 105 Ca 0.02 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.10 3.23 0.68 1.61 0.04 -1.26 -5.07 135.00 134.13 3ag4 s PRO 106 Ca 0.00 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.02 3ag4 s PRO 106 Cb 0.00 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.54 3ag4 s PRO 106 CO 0.00 -0.87 1.02 0.96 0.04 0.00 0.00 177.00 178.15 3ag4 s ILE 107 N -2.74 3.08 0.67 0.56 -4.36 -1.26 -5.03 121.20 112.13 3ag4 s ILE 107 Ca 0.61 0.07 -0.17 0.00 -0.26 0.00 0.00 60.65 60.89 3ag4 s ILE 107 Cb -0.14 -3.30 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 3ag4 s ILE 107 CO 0.44 -0.34 0.78 -2.65 0.24 0.00 0.00 174.94 173.41 3ag4 n PRO 108 N -2.87 0.54 0.10 0.37 -0.02 -1.26 -4.84 135.00 127.02 3ag4 n PRO 108 Ca 0.06 0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3ag4 n PRO 108 Cb 0.59 -2.02 0.37 0.00 -0.02 0.00 0.00 33.50 32.41 3ag4 n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3ag4 n HIS 109 N -2.18 0.46 0.49 6.00 1.44 -1.26 -1.95 115.22 118.22 3ag4 n HIS 109 Ca 0.12 0.24 0.09 0.00 -2.01 0.00 0.00 57.72 56.16 3ag4 n HIS 109 Cb 0.49 -0.88 0.38 0.00 0.12 0.00 0.00 29.99 30.10 3ag4 n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3ag4 n THR 110 N -1.98 0.90 1.08 0.61 -2.24 -1.26 -2.18 114.28 109.21 3ag4 n THR 110 Ca -0.01 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 3ag4 n THR 110 Cb 0.03 -1.03 0.14 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.74 0.00 -1.70 4.78 3.01 -0.82 -4.25 117.46 116.73 3ag4 n PHE 111 Ca 0.03 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 3ag4 n PHE 111 Cb 0.20 -0.08 0.06 0.00 -0.01 0.00 0.00 39.48 39.64 3ag4 n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3ag4 n GLU 112 N -0.76 1.23 -0.15 -1.08 1.02 -0.93 -4.74 120.64 115.23 3ag4 n GLU 112 Ca 0.09 0.47 -0.03 0.00 -0.02 0.00 0.00 57.16 57.67 3ag4 n GLU 112 Cb 0.38 -2.44 0.06 0.00 -0.02 0.00 0.00 31.44 29.42 3ag4 n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ag4 h GLU 113 N 0.80 0.17 -0.63 3.49 4.81 -1.92 0.58 114.58 121.88 3ag4 h GLU 113 Ca -0.50 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 3ag4 h GLU 113 Cb 1.34 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 3ag4 h GLU 113 CO 0.54 0.11 0.11 1.49 -0.73 0.00 0.00 179.01 180.52 3ag4 h GLU 114 N 0.17 1.02 -0.63 1.92 4.81 -1.96 0.10 114.58 120.01 3ag4 h GLU 114 Ca 0.24 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3ag4 h GLU 114 Cb 0.33 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3ag4 h GLU 114 CO -0.35 0.93 0.16 2.35 -0.73 0.00 0.00 179.01 181.38 3ag4 h TRP 115 N 0.96 1.04 -0.83 0.92 2.91 -1.61 -2.28 115.95 117.06 3ag4 h TRP 115 Ca 0.19 -0.12 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 3ag4 h TRP 115 Cb 0.41 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 3ag4 h TRP 115 CO 0.03 0.87 0.38 0.28 -1.03 0.00 0.00 178.44 178.97 3ag4 h VAL 116 N 0.91 1.26 0.04 2.65 2.07 -0.22 0.14 116.25 123.11 3ag4 h VAL 116 Ca 0.20 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3ag4 h VAL 116 Cb 0.34 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3ag4 h VAL 116 CO 0.00 0.32 -0.02 0.00 0.02 0.00 0.00 177.57 177.89 3ag4 h ALA 117 N 1.21 -0.06 0.23 1.67 0.00 -0.76 0.75 119.26 122.29 3ag4 h ALA 117 Ca 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ag4 h ALA 117 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ag4 h ALA 117 CO -0.03 -0.47 -0.16 0.87 0.00 0.00 0.00 179.25 179.46 3ag4 h LYS 118 N -0.19 -0.37 -0.64 0.00 1.57 -1.24 -1.86 116.57 113.85 3ag4 h LYS 118 Ca -0.01 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3ag4 h LYS 118 Cb 0.17 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 3ag4 h LYS 118 CO 0.01 -0.25 0.26 0.37 -0.57 0.00 0.00 179.45 179.27 3ag4 h GLN 119 N -0.38 0.44 -0.40 3.15 4.15 -0.63 -0.40 115.11 121.03 3ag4 h GLN 119 Ca -0.02 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.44 3ag4 h GLN 119 Cb 0.33 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 3ag4 h GLN 119 CO 0.01 0.29 0.07 1.15 -1.93 0.00 0.00 178.83 178.42 3ag4 h THR 120 N 0.46 0.78 -0.04 2.39 2.02 0.67 0.61 112.91 119.80 3ag4 h THR 120 Ca 0.32 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 3ag4 h THR 120 Cb 0.38 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3ag4 h THR 120 CO -0.30 0.04 0.01 0.50 0.37 0.00 0.00 175.52 176.14 3ag4 h LYS 121 N 0.20 0.06 -0.86 6.66 3.64 -0.85 -0.86 116.57 124.56 3ag4 h LYS 121 Ca 0.20 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.69 3ag4 h LYS 121 Cb 0.24 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.97 3ag4 h LYS 121 CO -0.27 0.20 0.48 -0.09 -2.27 0.00 0.00 179.45 177.51 3ag4 h ARG 122 N -0.10 0.72 -0.95 1.90 2.43 -0.89 0.12 114.38 117.61 3ag4 h ARG 122 Ca 0.01 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ag4 h ARG 122 Cb 0.17 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3ag4 h ARG 122 CO -0.00 0.48 0.63 0.52 -1.51 0.00 0.00 179.97 180.08 3ag4 h MET 123 N 0.74 1.24 -0.15 0.20 2.86 -0.57 0.13 114.93 119.39 3ag4 h MET 123 Ca 0.44 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.88 3ag4 h MET 123 Cb 0.51 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3ag4 h MET 123 CO -0.30 0.82 -0.43 -0.07 1.06 0.00 0.00 176.91 177.99 3ag4 h LEU 124 N 1.28 0.36 -0.50 1.22 3.38 0.36 0.57 115.31 121.97 3ag4 h LEU 124 Ca 0.35 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3ag4 h LEU 124 Cb -0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3ag4 h LEU 124 CO -0.08 0.75 -0.72 0.44 0.09 0.00 0.00 178.44 178.92 3ag4 h ASP 125 N 0.28 0.00 -0.03 -0.43 3.45 -0.36 -1.49 116.42 117.84 3ag4 h ASP 125 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3ag4 h ASP 125 Cb 0.87 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 3ag4 h ASP 125 CO 0.07 0.72 0.00 1.15 -1.57 0.00 0.00 179.24 179.61 3ag4 n MET 126 N -3.62 1.75 -3.31 3.56 0.00 -0.01 -4.97 117.12 110.52 3ag4 n MET 126 Ca -0.01 -1.09 -0.17 0.00 0.00 0.00 0.00 57.70 56.44 3ag4 n MET 126 Cb 0.72 -1.47 0.08 0.00 0.00 0.00 0.00 33.22 32.54 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 0.32 -6.16 -1.69 3.17 5.02 0.07 -4.91 118.16 113.98 3ag4 n LYS 127 Ca 0.18 0.74 -0.44 0.00 -2.02 0.00 0.00 58.31 56.77 3ag4 n LYS 127 Cb 0.38 -5.45 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 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 -4.02 0.09 -3.58 -0.18 0.31 -0.46 -3.48 118.33 107.01 3ag4 n VAL 128 Ca -0.18 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 63.94 3ag4 n VAL 128 Cb 0.62 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 4.17 -2.70 0.87 3.52 0.00 -1.26 -1.47 120.51 123.64 3ag4 n ALA 129 Ca 0.17 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3ag4 n ALA 129 Cb 0.32 -1.11 0.27 0.00 0.00 0.00 0.00 19.45 18.93 3ag4 n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag4 n PRO 130 N -2.15 0.09 -0.01 0.00 -0.04 -1.23 -1.01 135.00 130.66 3ag4 n PRO 130 Ca -0.22 0.03 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 3ag4 n PRO 130 Cb 0.65 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 3ag4 n PRO 130 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ag4 n ILE 131 N -1.68 1.74 0.00 0.52 -0.00 -1.26 -3.35 119.36 115.34 3ag4 n ILE 131 Ca 0.05 -0.66 0.00 0.00 -0.00 0.00 0.00 62.75 62.14 3ag4 n ILE 131 Cb 0.37 -1.65 0.00 0.00 -0.00 0.00 0.00 39.64 38.36 3ag4 n ILE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3ag4 n GLN 132 N -3.43 0.00 0.01 0.38 6.02 -1.26 -4.83 117.38 114.28 3ag4 n GLN 132 Ca -0.32 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.49 3ag4 n GLN 132 Cb 1.04 -0.37 -0.10 0.00 1.02 0.00 0.00 30.24 31.83 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 0.66 0.00 1.08 0.00 -1.87 -3.43 103.07 99.50 3ag4 h GLY 133 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.25 3ag4 h GLY 133 CO 0.00 0.96 0.00 0.33 0.00 0.00 0.00 176.54 177.83 3ag4 n PHE 134 N -4.05 -1.35 0.16 5.60 7.35 -0.18 -4.89 117.46 120.10 3ag4 n PHE 134 Ca -0.10 0.24 0.03 0.00 -0.76 0.00 0.00 57.45 56.86 3ag4 n PHE 134 Cb 0.75 0.75 0.20 0.00 0.35 0.00 0.00 39.48 41.53 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 0.00 -0.20 -2.13 0.02 0.03 -1.69 113.55 109.58 3ag4 h SER 135 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3ag4 h SER 135 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3ag4 h SER 135 CO 0.00 0.50 0.28 0.00 -1.14 0.00 0.00 176.83 176.48 3ag4 h ALA 136 N 1.50 1.73 -0.02 3.77 0.00 -1.54 0.02 119.26 124.72 3ag4 h ALA 136 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ag4 h ALA 136 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ag4 h ALA 136 CO 0.07 -0.39 -0.05 1.63 0.00 0.00 0.00 179.25 180.51 3ag4 n LYS 137 N -3.53 1.77 -4.14 0.00 5.02 -0.64 -4.85 118.16 111.80 3ag4 n LYS 137 Ca 0.02 -1.22 -0.34 0.00 -2.02 0.00 0.00 58.31 54.75 3ag4 n LYS 137 Cb 0.40 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.07 3.14 -0.38 2.13 -0.11 -0.01 -0.75 118.94 120.89 3ag4 s TRP 138 Ca 0.33 -0.14 -0.28 0.00 1.22 0.00 0.00 56.10 57.23 3ag4 s TRP 138 Cb 0.20 -2.05 0.02 0.00 -1.50 0.00 0.00 33.47 30.15 3ag4 s TRP 138 CO 0.35 0.01 1.04 0.34 -4.62 0.00 0.00 176.95 174.08 3ag4 s ASP 139 N 0.51 6.77 0.34 5.86 -1.08 0.78 -4.76 116.67 125.09 3ag4 s ASP 139 Ca 0.00 0.74 0.24 0.00 -0.52 0.00 0.00 52.55 53.02 3ag4 s ASP 139 Cb -0.13 -2.52 0.49 0.00 -1.46 0.00 0.00 42.92 39.30 3ag4 s ASP 139 CO 0.02 -0.97 1.64 1.88 0.52 0.00 0.00 175.17 178.25 3ag4 h TYR 140 N 8.51 0.00 0.00 -5.34 0.05 -1.92 -1.54 116.97 116.74 3ag4 h TYR 140 Ca -0.22 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.40 3ag4 h TYR 140 Cb 1.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 3ag4 h TYR 140 CO 0.87 0.00 -1.03 -0.44 -1.05 0.00 0.00 178.16 176.51 3ag4 h ASP 141 N 0.00 0.00 0.70 3.88 3.45 -1.94 -3.36 116.42 119.16 3ag4 h ASP 141 Ca 0.00 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3ag4 h ASP 141 Cb 0.90 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 3ag4 h ASP 141 CO 0.00 1.27 0.00 0.29 -1.57 0.00 0.00 179.24 179.23 3ag4 n LYS 142 N -4.49 0.15 -3.73 3.56 5.02 -1.26 -4.92 118.16 112.50 3ag4 n LYS 142 Ca -0.25 0.38 -0.26 0.00 -2.02 0.00 0.00 58.31 56.16 3ag4 n LYS 142 Cb 0.55 -1.79 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.08 -5.23 -4.09 4.39 4.05 -0.59 -5.00 115.26 106.72 3ag4 n ASN 143 Ca 0.03 -0.66 -0.10 0.00 0.45 0.00 0.00 54.58 54.29 3ag4 n ASN 143 Cb 0.22 -4.51 -0.08 0.00 1.23 0.00 0.00 39.78 36.65 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 -6.38 1.33 0.14 1.20 -1.05 -1.14 -5.02 118.70 107.78 3ag4 s GLU 144 Ca 0.56 -1.41 -0.34 0.00 -0.15 0.00 0.00 54.97 53.63 3ag4 s GLU 144 Cb -0.26 0.36 -0.13 0.00 -0.44 0.00 0.00 34.13 33.66 3ag4 s GLU 144 CO 0.78 -0.49 1.62 0.91 0.95 0.00 0.00 175.26 179.03 3ag4 n TRP 145 N -0.30 2.33 -1.61 4.83 7.02 -1.26 -0.16 117.44 128.30 3ag4 n TRP 145 Ca -0.01 0.21 -0.47 0.00 -1.02 0.00 0.00 57.50 56.21 3ag4 n TRP 145 Cb 0.64 -2.57 -0.03 0.00 -2.42 0.00 0.00 31.31 26.92 3ag4 n TRP 145 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3ag4 n LYS 146 N 3.80 1.45 0.00 -0.99 5.02 0.07 -4.70 118.16 122.80 3ag4 n LYS 146 Ca 0.17 0.52 0.15 0.00 -2.02 0.00 0.00 58.31 57.13 3ag4 n LYS 146 Cb 0.30 -2.06 0.89 0.00 -0.02 0.00 0.00 35.03 34.13 3ag4 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51