#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 n SER 2 N 0.00 1.52 0.00 0.00 2.88 -1.26 -5.06 113.62 111.71 3ag1 n SER 2 Ca 0.00 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 3ag1 n SER 2 Cb 0.00 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 3ag1 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag1 n ALA 3 N -0.08 0.00 0.00 -1.46 0.00 -1.26 -4.56 120.51 113.15 3ag1 n ALA 3 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ag1 n ALA 3 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3ag1 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ag1 n ALA 4 N 0.00 0.00 -3.00 0.00 0.00 -1.26 -5.17 120.51 111.08 3ag1 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ag1 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ag1 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag1 n LYS 5 N 0.00 0.00 0.00 0.00 5.02 -1.26 -5.20 118.16 116.72 3ag1 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ag1 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3ag1 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag1 n GLY 6 N 0.00 0.08 0.12 0.72 0.00 -1.26 -5.08 105.19 99.76 3ag1 n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ag1 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ag1 n ASP 7 N -1.32 -0.17 0.00 1.61 -0.08 -1.26 -4.88 116.55 110.45 3ag1 n ASP 7 Ca 0.00 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 3ag1 n ASP 7 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 3ag1 n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3ag1 n HIS 8 N -4.47 0.00 0.10 -0.67 8.25 -1.26 -4.07 115.22 113.11 3ag1 n HIS 8 Ca 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 3ag1 n HIS 8 Cb 0.13 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.11 3ag1 n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ag1 h GLY 9 N 0.00 0.36 -1.90 -1.41 0.00 -2.08 -3.51 103.07 94.53 3ag1 h GLY 9 Ca 0.00 -0.86 -0.50 0.00 0.00 0.00 0.00 47.33 45.96 3ag1 h GLY 9 CO 0.00 0.76 -0.60 -0.32 0.00 0.00 0.00 176.54 176.38 3ag1 s GLY 10 N -4.62 2.19 0.00 4.60 0.00 -1.26 -5.30 107.32 102.93 3ag1 s GLY 10 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.66 3ag1 s GLY 10 CO 0.89 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 172.73 3ag1 n GLY 12 N -0.75 1.00 0.26 0.20 0.00 -1.26 -4.83 105.19 99.81 3ag1 n GLY 12 Ca -0.03 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 3ag1 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 h ALA 13 N 0.00 0.92 -0.76 4.61 0.00 -2.05 -2.43 119.26 119.55 3ag1 h ALA 13 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ag1 h ALA 13 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3ag1 h ALA 13 CO 0.00 0.02 0.50 -0.09 0.00 0.00 0.00 179.25 179.68 3ag1 h ARG 14 N 0.66 0.70 -0.10 0.00 2.43 -1.99 -0.97 114.38 115.11 3ag1 h ARG 14 Ca 0.31 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3ag1 h ARG 14 Cb 0.24 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3ag1 h ARG 14 CO -0.21 0.46 -0.30 1.15 -1.51 0.00 0.00 179.97 179.56 3ag1 h THR 15 N 0.72 1.39 -0.07 0.20 2.02 -1.77 -1.16 112.91 114.24 3ag1 h THR 15 Ca 0.34 -1.63 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 3ag1 h THR 15 Cb 0.39 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 3ag1 h THR 15 CO -0.12 0.47 -0.22 -0.50 0.37 0.00 0.00 175.52 175.52 3ag1 h TRP 16 N -0.05 0.13 -0.03 3.16 4.06 -1.07 -0.82 115.95 121.32 3ag1 h TRP 16 Ca -0.01 -0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.78 3ag1 h TRP 16 Cb 0.92 -0.04 0.01 0.00 -1.00 0.00 0.00 29.16 29.05 3ag1 h TRP 16 CO 0.11 0.34 -0.54 -0.09 -3.56 0.00 0.00 178.44 174.70 3ag1 h ARG 17 N 0.11 0.43 -0.77 0.49 2.43 -1.14 0.27 114.38 116.21 3ag1 h ARG 17 Ca 0.02 -0.42 0.17 0.00 -0.81 0.00 0.00 59.98 58.95 3ag1 h ARG 17 Cb 0.46 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.00 3ag1 h ARG 17 CO 0.03 1.07 0.18 0.35 -1.51 0.00 0.00 179.97 180.09 3ag1 h PHE 18 N -0.05 0.27 -0.01 2.20 -0.00 -0.94 -1.69 116.94 116.73 3ag1 h PHE 18 Ca -0.06 0.05 -0.19 0.00 -0.00 0.00 0.00 57.97 57.77 3ag1 h PHE 18 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.17 3ag1 h PHE 18 CO 0.14 -0.12 -0.84 -0.07 -0.00 0.00 0.00 178.31 177.42 3ag1 h LEU 19 N 0.25 0.24 -0.38 0.59 3.38 -0.99 0.91 115.31 119.31 3ag1 h LEU 19 Ca 0.44 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3ag1 h LEU 19 Cb 0.78 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3ag1 h LEU 19 CO -0.55 0.97 0.16 0.74 0.09 0.00 0.00 178.44 179.85 3ag1 h THR 20 N 0.11 0.92 0.00 0.22 2.02 -0.07 -0.98 112.91 115.13 3ag1 h THR 20 Ca -0.04 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 3ag1 h THR 20 Cb 1.45 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 3ag1 h THR 20 CO 0.13 0.06 -1.56 0.49 0.37 0.00 0.00 175.52 175.01 3ag1 n PHE 21 N -4.98 0.80 0.52 3.16 0.99 -0.77 -0.91 117.46 116.26 3ag1 n PHE 21 Ca 0.02 0.26 0.11 0.00 -0.00 0.00 0.00 57.45 57.84 3ag1 n PHE 21 Cb 0.12 -1.03 -0.09 0.00 -1.00 0.00 0.00 39.48 37.48 3ag1 n PHE 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ag1 n GLY 22 N 1.42 -1.07 1.56 1.37 0.00 0.31 -4.40 105.19 104.38 3ag1 n GLY 22 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3ag1 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ag1 n LEU 23 N -1.91 0.03 0.12 0.99 7.94 -0.59 -4.78 117.00 118.80 3ag1 n LEU 23 Ca 0.01 0.03 -0.11 0.00 -1.11 0.00 0.00 56.01 54.83 3ag1 n LEU 23 Cb 0.45 0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.33 3ag1 n LEU 23 CO 0.43 -0.32 0.40 0.00 -1.11 0.00 0.00 177.39 176.78 3ag1 h ALA 24 N 0.00 -0.36 -0.44 1.96 0.00 -1.23 -2.11 119.26 117.09 3ag1 h ALA 24 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ag1 h ALA 24 Cb 0.40 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ag1 h ALA 24 CO 0.00 -0.43 0.25 -0.07 0.00 0.00 0.00 179.25 179.00 3ag1 h LEU 25 N -0.91 0.54 -1.64 0.00 3.38 -1.27 -1.17 115.31 114.24 3ag1 h LEU 25 Ca -0.04 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.01 3ag1 h LEU 25 Cb 0.51 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3ag1 h LEU 25 CO 0.06 0.46 0.50 -0.65 0.09 0.00 0.00 178.44 178.89 3ag1 h PRO 26 N 0.58 0.35 -0.35 1.13 0.11 -1.77 -1.21 132.00 130.83 3ag1 h PRO 26 Ca 0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3ag1 h PRO 26 Cb 0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3ag1 h PRO 26 CO -0.03 0.23 0.05 0.77 -0.21 0.00 0.00 178.00 178.81 3ag1 h SER 27 N 0.36 0.57 -0.35 -2.05 0.02 -0.51 -0.50 113.55 111.08 3ag1 h SER 27 Ca 0.36 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3ag1 h SER 27 Cb 0.90 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3ag1 h SER 27 CO -0.10 0.70 0.21 0.58 -1.14 0.00 0.00 176.83 177.07 3ag1 h VAL 28 N 0.43 1.05 -0.76 2.27 2.07 -0.71 -0.78 116.25 119.81 3ag1 h VAL 28 Ca 0.11 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.58 3ag1 h VAL 28 Cb 0.37 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3ag1 h VAL 28 CO 0.01 0.08 0.39 0.00 0.02 0.00 0.00 177.57 178.06 3ag1 h ALA 29 N 1.15 1.07 -0.05 1.67 0.00 -1.00 0.26 119.26 122.36 3ag1 h ALA 29 Ca 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ag1 h ALA 29 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ag1 h ALA 29 CO -0.06 -0.04 0.01 -0.07 0.00 0.00 0.00 179.25 179.10 3ag1 h LEU 30 N 0.63 0.08 -1.51 0.00 3.38 -0.82 -1.22 115.31 115.85 3ag1 h LEU 30 Ca 0.38 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ag1 h LEU 30 Cb 0.44 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3ag1 h LEU 30 CO -0.29 0.28 0.34 0.00 0.09 0.00 0.00 178.44 178.85 3ag1 h THR 32 N 0.68 0.84 -0.44 0.00 2.02 -0.13 -2.23 112.91 113.64 3ag1 h THR 32 Ca 0.19 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3ag1 h THR 32 Cb -0.06 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3ag1 h THR 32 CO -0.04 0.11 -0.26 -0.11 0.37 0.00 0.00 175.52 175.59 3ag1 n LEU 33 N -5.11 -0.46 -0.32 2.58 -0.00 -0.49 -0.97 117.00 112.22 3ag1 n LEU 33 Ca -0.09 1.20 0.14 0.00 -0.00 0.00 0.00 56.01 57.26 3ag1 n LEU 33 Cb 0.22 -0.31 0.38 0.00 -0.00 0.00 0.00 43.42 43.71 3ag1 n LEU 33 CO 0.32 -0.85 1.21 -1.13 -0.00 0.00 0.00 177.39 176.95 3ag1 h ASN 34 N 0.00 0.68 -0.02 1.96 -0.00 -1.00 -2.64 115.58 114.56 3ag1 h ASN 34 Ca 0.07 0.07 -0.12 0.00 -0.00 0.00 0.00 56.30 56.33 3ag1 h ASN 34 Cb 0.18 -0.05 0.01 0.00 -0.00 0.00 0.00 38.32 38.46 3ag1 h ASN 34 CO -0.41 0.26 -0.45 0.28 -0.00 0.00 0.00 177.43 177.11 3ag1 h SER 35 N 0.67 0.43 -0.76 1.15 0.02 -0.69 -2.75 113.55 111.62 3ag1 h SER 35 Ca 0.54 -0.73 -0.44 0.00 -0.84 0.00 0.00 61.79 60.31 3ag1 h SER 35 Cb 0.95 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 63.18 3ag1 h SER 35 CO -0.30 1.11 0.52 0.79 -1.14 0.00 0.00 176.83 177.81 3ag1 n TRP 36 N -4.33 1.92 -0.36 3.45 5.03 -0.14 -1.63 117.44 121.37 3ag1 n TRP 36 Ca -0.10 -2.18 0.00 0.00 3.03 0.00 0.00 57.50 58.26 3ag1 n TRP 36 Cb 0.59 -1.15 0.00 0.00 -1.03 0.00 0.00 31.31 29.72 3ag1 n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3ag1 n LEU 37 N 0.19 0.00 -0.16 -0.99 7.94 -1.15 -4.78 117.00 118.05 3ag1 n LEU 37 Ca 0.41 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.33 3ag1 n LEU 37 Cb 0.57 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.56 3ag1 n LEU 37 CO 0.45 0.00 0.53 1.41 -1.11 0.00 0.00 177.39 178.68 3ag1 n HIS 38 N 0.00 0.12 0.00 1.96 8.25 -0.82 -5.01 115.22 119.71 3ag1 n HIS 38 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3ag1 n HIS 38 Cb 0.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3ag1 n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ag1 n SER 39 N -0.27 0.00 -1.74 0.41 3.41 -0.65 -4.99 113.62 109.79 3ag1 n SER 39 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3ag1 n SER 39 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3ag1 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag1 n GLY 40 N 3.33 -4.96 3.63 5.00 0.00 -1.26 -4.89 105.19 106.03 3ag1 n GLY 40 Ca 0.00 -0.30 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 3ag1 n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ag1 n HIS 41 N 1.39 1.81 -3.20 1.61 8.25 -1.26 -5.01 115.22 118.81 3ag1 n HIS 41 Ca 0.00 0.50 -0.32 0.00 -0.26 0.00 0.00 57.72 57.64 3ag1 n HIS 41 Cb 0.00 -2.42 -0.06 0.00 1.12 0.00 0.00 29.99 28.64 3ag1 n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3ag1 s ARG 42 N 1.00 3.93 0.09 -0.41 0.52 -1.26 -5.03 118.95 117.78 3ag1 s ARG 42 Ca 0.84 0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 56.28 3ag1 s ARG 42 Cb -0.88 -2.49 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 3ag1 s ARG 42 CO 0.46 0.19 1.77 -2.00 0.02 0.00 0.00 175.30 175.74 3ag1 s GLU 43 N -3.01 4.16 0.25 3.54 -6.30 -1.26 -4.96 118.70 111.12 3ag1 s GLU 43 Ca 0.52 2.48 -0.31 0.00 -2.50 0.00 0.00 54.97 55.17 3ag1 s GLU 43 Cb -0.10 -3.67 -0.11 0.00 0.00 0.00 0.00 34.13 30.25 3ag1 s GLU 43 CO 0.20 -0.81 1.63 -0.98 0.02 0.00 0.00 175.26 175.31 3ag1 s ARG 44 N 2.92 4.14 0.44 4.30 1.70 -1.26 -4.97 118.95 126.21 3ag1 s ARG 44 Ca 0.79 2.56 -0.12 0.00 -0.47 0.00 0.00 55.73 58.49 3ag1 s ARG 44 Cb -0.43 -3.05 -0.07 0.00 -0.57 0.00 0.00 34.95 30.83 3ag1 s ARG 44 CO 0.35 -0.66 0.83 -1.25 -1.08 0.00 0.00 175.30 173.49 3ag1 s PRO 45 N 0.21 3.82 0.36 3.89 0.04 -1.26 -4.97 135.00 137.10 3ag1 s PRO 45 Ca 0.68 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 3ag1 s PRO 45 Cb -0.48 -2.32 -0.14 0.00 0.04 0.00 0.00 34.50 31.60 3ag1 s PRO 45 CO 0.41 -0.11 0.47 0.00 0.04 0.00 0.00 177.00 177.81 3ag1 n ALA 46 N -1.41 -2.02 -2.70 8.56 0.00 -1.26 -4.91 120.51 116.77 3ag1 n ALA 46 Ca 0.04 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 3ag1 n ALA 46 Cb 0.54 -1.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 3ag1 n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ag1 s PHE 47 N -1.39 3.53 -0.09 0.00 2.19 -1.26 -5.04 117.98 115.92 3ag1 s PHE 47 Ca 0.62 1.21 0.02 0.00 0.33 0.00 0.00 56.93 59.11 3ag1 s PHE 47 Cb -0.68 -2.82 0.01 0.00 -1.31 0.00 0.00 43.02 38.22 3ag1 s PHE 47 CO 0.59 0.02 -0.15 0.42 1.83 0.00 0.00 175.22 177.93 3ag1 s ILE 48 N 1.08 1.45 -1.18 3.12 1.01 -1.26 -5.06 121.20 120.38 3ag1 s ILE 48 Ca 0.36 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 3ag1 s ILE 48 Cb -0.17 -1.32 -0.12 0.00 0.01 0.00 0.00 42.46 40.86 3ag1 s ILE 48 CO 0.16 0.43 2.95 -0.81 0.00 0.00 0.00 174.94 177.67 3ag1 n PRO 49 N 4.02 3.08 -1.59 2.79 -0.04 -1.26 -4.95 135.00 137.05 3ag1 n PRO 49 Ca -0.20 -1.82 -0.47 0.00 -0.04 0.00 0.00 63.50 60.97 3ag1 n PRO 49 Cb 0.52 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 3ag1 n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ag1 n TYR 50 N 3.43 1.38 0.96 0.54 4.01 -1.26 -4.91 117.16 121.32 3ag1 n TYR 50 Ca 0.66 0.66 0.14 0.00 -0.16 0.00 0.00 57.90 59.19 3ag1 n TYR 50 Cb 0.35 -2.29 0.54 0.00 -0.31 0.00 0.00 39.34 37.63 3ag1 n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ag1 n HIS 51 N 1.24 0.09 1.04 -0.72 8.25 -1.26 -3.34 115.22 120.53 3ag1 n HIS 51 Ca 0.13 0.03 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 3ag1 n HIS 51 Cb 0.27 -0.51 0.30 0.00 1.12 0.00 0.00 29.99 31.18 3ag1 n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3ag1 n HIS 52 N -1.58 0.15 -4.51 4.41 1.44 -1.26 -4.92 115.22 108.96 3ag1 n HIS 52 Ca 0.07 -0.08 -0.27 0.00 -2.01 0.00 0.00 57.72 55.43 3ag1 n HIS 52 Cb 0.35 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.36 3ag1 n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3ag1 s LEU 53 N -1.79 2.87 -1.33 2.39 1.43 -1.21 -4.80 118.68 116.24 3ag1 s LEU 53 Ca 0.34 -1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.15 3ag1 s LEU 53 Cb 0.20 -1.05 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 3ag1 s LEU 53 CO 0.30 -0.34 0.54 0.54 0.23 0.00 0.00 176.35 177.62 3ag1 n ARG 54 N -0.93 -2.79 -2.20 1.70 3.00 -1.26 -4.89 116.66 109.29 3ag1 n ARG 54 Ca -0.04 0.42 -0.41 0.00 -0.01 0.00 0.00 57.85 57.81 3ag1 n ARG 54 Cb 0.65 -4.41 -0.03 0.00 0.00 0.00 0.00 32.46 28.68 3ag1 n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ag1 s ILE 55 N -3.80 2.92 -0.39 0.55 -1.09 -1.26 -4.75 121.20 113.37 3ag1 s ILE 55 Ca 0.14 0.92 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 3ag1 s ILE 55 Cb -0.05 -3.58 0.16 0.00 -1.58 0.00 0.00 42.46 37.40 3ag1 s ILE 55 CO 0.88 0.21 0.33 -0.13 -1.23 0.00 0.00 174.94 175.01 3ag1 s ARG 56 N -1.60 0.75 0.21 2.79 1.81 -1.26 -4.97 118.95 116.67 3ag1 s ARG 56 Ca 0.48 -1.55 0.23 0.00 -1.72 0.00 0.00 55.73 53.17 3ag1 s ARG 56 Cb -0.38 -1.15 0.06 0.00 -0.45 0.00 0.00 34.95 33.04 3ag1 s ARG 56 CO 0.49 -1.29 1.11 1.79 -0.68 0.00 0.00 175.30 176.72 3ag1 h THR 57 N 4.85 0.00 -2.66 0.02 1.35 -2.01 -3.47 112.91 111.00 3ag1 h THR 57 Ca 0.15 -0.93 -0.11 0.00 -0.55 0.00 0.00 66.41 64.96 3ag1 h THR 57 Cb 0.97 1.47 -0.25 0.00 -1.73 0.00 0.00 68.15 68.61 3ag1 h THR 57 CO 0.28 0.00 -0.23 -0.75 -0.25 0.00 0.00 175.52 174.57 3ag1 s LYS 58 N -3.33 0.47 0.68 4.72 2.20 -1.26 -5.15 119.74 118.08 3ag1 s LYS 58 Ca 0.01 0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 56.14 3ag1 s LYS 58 Cb 0.10 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3ag1 s LYS 58 CO 0.77 -0.09 1.19 -2.14 -0.36 0.00 0.00 175.35 174.72 3ag1 s PRO 59 N 0.64 2.46 0.83 4.03 0.02 -1.26 -5.00 135.00 136.72 3ag1 s PRO 59 Ca -0.03 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 3ag1 s PRO 59 Cb -0.05 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.69 3ag1 s PRO 59 CO -0.04 -1.58 1.09 -0.06 -0.33 0.00 0.00 177.00 176.08 3ag1 s PHE 60 N -1.94 2.47 -0.43 6.54 0.40 -0.32 -4.93 117.98 119.77 3ag1 s PHE 60 Ca 0.74 1.40 0.01 0.00 -0.60 0.00 0.00 56.93 58.47 3ag1 s PHE 60 Cb -0.28 -3.10 0.42 0.00 0.51 0.00 0.00 43.02 40.57 3ag1 s PHE 60 CO 0.42 -2.08 1.87 0.43 0.70 0.00 0.00 175.22 176.56 3ag1 n SER 61 N -3.69 5.40 -3.68 1.36 7.64 -1.26 -4.11 113.62 115.28 3ag1 n SER 61 Ca 0.08 -3.34 -0.10 0.00 1.01 0.00 0.00 58.87 56.52 3ag1 n SER 61 Cb 0.54 -0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 3ag1 n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3ag1 s TRP 62 N -2.71 -0.19 0.00 1.43 -2.14 -1.26 -5.04 118.94 109.03 3ag1 s TRP 62 Ca 0.46 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 59.09 3ag1 s TRP 62 Cb 0.38 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 31.14 3ag1 s TRP 62 CO 0.04 -0.87 0.00 0.41 -2.66 0.00 0.00 176.95 173.86 3ag1 n GLY 63 N -0.33 2.18 0.50 3.67 0.00 -1.26 -0.88 105.19 109.07 3ag1 n GLY 63 Ca -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.45 3ag1 n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ag1 n ASP 64 N -0.40 1.35 0.00 1.61 5.68 -1.26 -4.89 116.55 118.64 3ag1 n ASP 64 Ca 0.00 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 3ag1 n ASP 64 Cb 0.00 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 3ag1 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ag1 n GLY 65 N 0.55 0.83 0.00 6.12 0.00 -0.06 -4.80 105.19 107.84 3ag1 n GLY 65 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ag1 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ag1 n ASN 66 N -0.01 0.84 -4.38 1.61 5.15 -1.26 -1.18 115.26 116.04 3ag1 n ASN 66 Ca 0.00 -1.06 -0.32 0.00 -0.60 0.00 0.00 54.58 52.60 3ag1 n ASN 66 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.11 3ag1 n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3ag1 s HIS 67 N -0.06 2.64 0.87 1.20 3.76 -1.26 -4.90 115.29 117.55 3ag1 s HIS 67 Ca 0.00 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 3ag1 s HIS 67 Cb 0.00 -1.68 0.12 0.00 1.11 0.00 0.00 32.58 32.13 3ag1 s HIS 67 CO 0.00 -0.06 1.09 0.95 -0.85 0.00 0.00 174.74 175.87 3ag1 s THR 68 N -0.23 2.76 0.21 1.30 -4.23 -1.26 -4.93 115.64 109.27 3ag1 s THR 68 Ca 0.00 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 3ag1 s THR 68 Cb -0.13 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 70.88 3ag1 s THR 68 CO 0.03 -0.32 1.50 0.15 -0.54 0.00 0.00 174.62 175.44 3ag1 h PHE 69 N -1.46 0.39 -0.71 3.99 3.04 -2.00 -2.35 116.94 117.84 3ag1 h PHE 69 Ca -0.49 -0.16 -0.47 0.00 3.98 0.00 0.00 57.97 60.84 3ag1 h PHE 69 Cb 1.28 -0.06 -0.28 0.00 2.56 0.00 0.00 35.95 39.45 3ag1 h PHE 69 CO 0.44 0.87 0.01 1.19 -2.02 0.00 0.00 178.31 178.81 3ag1 n PHE 70 N -3.84 2.37 -1.61 0.41 3.01 -1.26 -5.04 117.46 111.51 3ag1 n PHE 70 Ca -0.03 -2.23 -0.52 0.00 1.01 0.00 0.00 57.45 55.68 3ag1 n PHE 70 Cb 0.66 -0.76 -0.06 0.00 -0.01 0.00 0.00 39.48 39.32 3ag1 n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3ag1 n HIS 71 N -0.94 1.62 -4.03 1.38 -0.00 -0.89 -4.98 115.22 107.38 3ag1 n HIS 71 Ca 0.47 0.60 -0.31 0.00 -0.00 0.00 0.00 57.72 58.48 3ag1 n HIS 71 Cb 0.96 -2.36 -0.15 0.00 -0.00 0.00 0.00 29.99 28.44 3ag1 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3ag1 s ASN 72 N 0.85 4.06 0.47 0.26 3.84 -1.26 -5.03 114.94 118.12 3ag1 s ASN 72 Ca 0.86 -1.22 0.15 0.00 0.21 0.00 0.00 52.86 52.86 3ag1 s ASN 72 Cb -0.95 -1.41 1.08 0.00 -0.55 0.00 0.00 41.25 39.42 3ag1 s ASN 72 CO 0.48 -0.18 2.03 -0.65 -2.79 0.00 0.00 177.10 175.99 3ag1 h PRO 73 N 7.86 0.00 -0.91 0.43 0.11 -1.94 0.35 132.00 137.90 3ag1 h PRO 73 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3ag1 h PRO 73 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3ag1 h PRO 73 CO 0.47 0.14 0.52 -0.09 -0.21 0.00 0.00 178.00 178.83 3ag1 h ARG 74 N 0.00 1.25 0.00 1.05 1.12 -1.95 -3.38 114.38 112.47 3ag1 h ARG 74 Ca -0.00 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 3ag1 h ARG 74 Cb 0.25 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3ag1 h ARG 74 CO 0.02 0.90 -0.54 1.33 -3.11 0.00 0.00 179.97 178.56 3ag1 n VAL 75 N -4.36 0.00 -3.68 0.20 0.24 -0.73 -4.91 118.33 105.09 3ag1 n VAL 75 Ca 0.10 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.34 61.84 3ag1 n VAL 75 Cb 0.08 0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 32.99 3ag1 n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3ag1 s ASN 76 N -1.42 5.47 0.48 -1.34 0.01 0.12 -4.99 114.94 113.27 3ag1 s ASN 76 Ca 0.00 -1.34 -0.19 0.00 -0.71 0.00 0.00 52.86 50.63 3ag1 s ASN 76 Cb 0.00 -1.92 -0.09 0.00 0.41 0.00 0.00 41.25 39.65 3ag1 s ASN 76 CO 0.00 -0.43 0.98 -2.16 -1.51 0.00 0.00 177.10 173.98 3ag1 s PRO 77 N 1.40 4.03 0.86 -0.60 0.04 -1.26 -4.62 135.00 134.85 3ag1 s PRO 77 Ca 0.01 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 3ag1 s PRO 77 Cb -0.21 -2.15 0.11 0.00 0.04 0.00 0.00 34.50 32.29 3ag1 s PRO 77 CO 0.02 -0.20 1.15 -0.51 0.04 0.00 0.00 177.00 177.51 3ag1 s LEU 78 N -3.69 2.26 0.56 -3.56 1.43 -0.15 -4.86 118.68 110.66 3ag1 s LEU 78 Ca 0.61 0.90 0.27 0.00 -1.03 0.00 0.00 54.13 54.87 3ag1 s LEU 78 Cb -0.10 -3.31 1.47 0.00 0.03 0.00 0.00 46.19 44.27 3ag1 s LEU 78 CO 0.23 -2.23 1.99 -0.65 0.23 0.00 0.00 176.35 175.92 3ag1 h PRO 79 N -1.27 0.00 -0.11 1.29 0.11 -1.90 -0.43 132.00 129.69 3ag1 h PRO 79 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ag1 h PRO 79 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ag1 h PRO 79 CO 0.64 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 3ag1 n THR 80 N -4.11 0.14 0.00 -1.15 -2.24 -1.26 -4.92 114.28 100.74 3ag1 n THR 80 Ca 0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3ag1 n THR 80 Cb 0.59 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3ag1 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag1 n GLY 81 N 1.00 -0.47 3.74 3.38 0.00 -0.17 -5.06 105.19 107.61 3ag1 n GLY 81 Ca 0.15 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 3ag1 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag1 s TYR 82 N -0.70 2.28 0.41 1.61 2.02 -1.26 -0.98 117.35 120.73 3ag1 s TYR 82 Ca 0.00 1.62 -0.07 0.00 -0.37 0.00 0.00 57.07 58.24 3ag1 s TYR 82 Cb 0.00 -3.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.30 3ag1 s TYR 82 CO 0.00 -2.13 0.73 -1.21 -1.57 0.00 0.00 175.55 171.37 3ag1 s GLU 83 N -4.51 3.66 0.00 -0.62 2.02 -1.26 -4.88 118.70 113.10 3ag1 s GLU 83 Ca 0.66 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.91 3ag1 s GLU 83 Cb -0.21 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3ag1 s GLU 83 CO 0.52 -0.05 0.26 1.63 0.02 0.00 0.00 175.26 177.64