#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n SER 2 N 0.00 0.71 0.00 0.00 2.88 -1.26 -5.09 113.62 110.86 3ag3 n SER 2 Ca 0.00 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 3ag3 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ag3 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag3 n ALA 3 N -0.01 0.00 0.00 -1.46 0.00 -1.26 -4.32 120.51 113.47 3ag3 n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ag3 n ALA 3 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3ag3 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ag3 n ALA 4 N 0.00 0.00 -2.53 0.00 0.00 -1.26 -5.14 120.51 111.58 3ag3 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ag3 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ag3 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag3 n LYS 5 N 0.00 1.84 0.01 0.00 5.02 -1.26 -5.14 118.16 118.63 3ag3 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ag3 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3ag3 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag3 n GLY 6 N 5.00 -0.60 0.00 0.72 0.00 -1.26 -5.14 105.19 103.92 3ag3 n GLY 6 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ag3 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ag3 n ASP 7 N -2.41 0.00 0.00 1.61 -0.08 -1.26 -4.87 116.55 109.54 3ag3 n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3ag3 n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3ag3 n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3ag3 n HIS 8 N -0.10 0.00 -0.31 -0.67 8.25 -1.26 -4.69 115.22 116.45 3ag3 n HIS 8 Ca 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 57.72 57.79 3ag3 n HIS 8 Cb 0.00 -0.45 0.71 0.00 1.12 0.00 0.00 29.99 31.37 3ag3 n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ag3 h GLY 9 N 0.00 0.21 0.00 -1.41 0.00 -2.09 -3.52 103.07 96.26 3ag3 h GLY 9 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ag3 h GLY 9 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.12 3ag3 n GLY 10 N -1.71 1.15 0.00 4.60 0.00 -1.26 -5.28 105.19 102.69 3ag3 n GLY 10 Ca 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ag3 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 12 N 0.00 0.70 0.27 -0.02 0.00 -1.26 -4.73 105.19 100.14 3ag3 n GLY 12 Ca 0.00 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 3ag3 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 h ALA 13 N 0.00 0.70 -0.81 4.61 0.00 -2.05 -1.41 119.26 120.30 3ag3 h ALA 13 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3ag3 h ALA 13 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3ag3 h ALA 13 CO 0.00 0.55 0.53 -0.09 0.00 0.00 0.00 179.25 180.24 3ag3 h ARG 14 N 0.80 1.03 -0.45 0.00 2.43 -1.99 0.11 114.38 116.31 3ag3 h ARG 14 Ca 0.14 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 3ag3 h ARG 14 Cb 0.59 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ag3 h ARG 14 CO 0.04 0.68 -0.25 1.15 -1.51 0.00 0.00 179.97 180.07 3ag3 h THR 15 N 1.06 1.27 0.00 0.20 2.02 -1.72 -1.77 112.91 113.96 3ag3 h THR 15 Ca 0.31 -1.42 -0.14 0.00 0.77 0.00 0.00 66.41 65.93 3ag3 h THR 15 Cb -0.07 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3ag3 h THR 15 CO -0.08 0.49 -0.67 -0.50 0.37 0.00 0.00 175.52 175.12 3ag3 h TRP 16 N 0.81 0.00 -0.60 3.16 4.06 -0.69 -1.30 115.95 121.39 3ag3 h TRP 16 Ca 0.10 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.99 3ag3 h TRP 16 Cb 0.84 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.97 3ag3 h TRP 16 CO 0.06 0.67 0.15 -0.09 -3.56 0.00 0.00 178.44 175.67 3ag3 h ARG 17 N 0.00 0.97 -0.65 0.49 2.43 -0.73 -0.30 114.38 116.58 3ag3 h ARG 17 Ca -0.01 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3ag3 h ARG 17 Cb 1.26 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3ag3 h ARG 17 CO 0.09 0.88 0.41 0.35 -1.51 0.00 0.00 179.97 180.19 3ag3 h PHE 18 N 0.88 0.78 -0.45 2.20 -0.00 -0.93 -0.27 116.94 119.15 3ag3 h PHE 18 Ca 0.19 0.02 -0.11 0.00 -0.00 0.00 0.00 57.97 58.07 3ag3 h PHE 18 Cb 0.35 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 36.02 3ag3 h PHE 18 CO 0.02 0.46 -0.15 -0.07 -0.00 0.00 0.00 178.31 178.57 3ag3 h LEU 19 N 0.82 0.85 0.47 0.59 3.38 -1.13 0.24 115.31 120.54 3ag3 h LEU 19 Ca 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ag3 h LEU 19 Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3ag3 h LEU 19 CO -0.09 1.00 -0.23 0.74 0.09 0.00 0.00 178.44 179.95 3ag3 h THR 20 N 0.75 0.53 0.00 0.22 2.02 -0.36 0.05 112.91 116.13 3ag3 h THR 20 Ca 0.12 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3ag3 h THR 20 Cb 0.67 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3ag3 h THR 20 CO 0.05 0.01 -0.66 -0.26 0.37 0.00 0.00 175.52 175.03 3ag3 h PHE 21 N -0.68 0.00 0.00 3.16 0.05 -1.06 0.67 116.94 119.07 3ag3 h PHE 21 Ca -0.06 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.55 3ag3 h PHE 21 Cb 0.51 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.43 3ag3 h PHE 21 CO -0.03 0.00 -1.73 0.41 -0.18 0.00 0.00 178.31 176.78 3ag3 n GLY 22 N 1.17 -1.12 1.07 -1.45 0.00 0.85 -4.39 105.19 101.31 3ag3 n GLY 22 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3ag3 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ag3 n LEU 23 N -2.73 0.31 0.19 0.99 7.94 -0.70 -4.78 117.00 118.22 3ag3 n LEU 23 Ca -0.13 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.64 3ag3 n LEU 23 Cb 0.85 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.72 3ag3 n LEU 23 CO 0.43 -0.05 0.45 0.00 -1.11 0.00 0.00 177.39 177.12 3ag3 h ALA 24 N 0.00 -0.51 -0.19 1.96 0.00 -0.95 -2.10 119.26 117.47 3ag3 h ALA 24 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3ag3 h ALA 24 Cb 0.76 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ag3 h ALA 24 CO 0.00 -0.58 -0.52 -0.07 0.00 0.00 0.00 179.25 178.08 3ag3 h LEU 25 N -0.91 0.60 -0.65 0.00 3.38 -1.09 -1.97 115.31 114.67 3ag3 h LEU 25 Ca -0.05 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.70 3ag3 h LEU 25 Cb 0.54 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3ag3 h LEU 25 CO 0.09 1.01 0.29 -0.65 0.09 0.00 0.00 178.44 179.27 3ag3 h PRO 26 N 0.43 0.49 -0.49 1.13 0.11 -1.77 0.64 132.00 132.55 3ag3 h PRO 26 Ca 0.01 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.18 3ag3 h PRO 26 Cb 1.05 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.98 3ag3 h PRO 26 CO 0.10 0.33 0.05 0.77 -0.21 0.00 0.00 178.00 179.04 3ag3 h SER 27 N 0.51 -0.09 -0.60 -2.05 0.02 -0.93 -0.04 113.55 110.37 3ag3 h SER 27 Ca 0.32 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 3ag3 h SER 27 Cb 0.35 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 3ag3 h SER 27 CO -0.27 -0.02 0.27 0.58 -1.14 0.00 0.00 176.83 176.25 3ag3 h VAL 28 N 0.18 1.22 -0.39 2.27 2.07 -0.62 -0.44 116.25 120.53 3ag3 h VAL 28 Ca 0.25 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3ag3 h VAL 28 Cb 0.35 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3ag3 h VAL 28 CO -0.36 0.26 0.19 0.00 0.02 0.00 0.00 177.57 177.68 3ag3 h ALA 29 N 1.11 0.49 -0.31 1.67 0.00 -0.50 0.22 119.26 121.93 3ag3 h ALA 29 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ag3 h ALA 29 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ag3 h ALA 29 CO -0.02 -0.17 0.15 -0.07 0.00 0.00 0.00 179.25 179.14 3ag3 h LEU 30 N 0.39 0.41 -1.17 0.00 3.38 -0.76 -1.31 115.31 116.25 3ag3 h LEU 30 Ca 0.17 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ag3 h LEU 30 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ag3 h LEU 30 CO -0.12 0.41 -0.12 0.00 0.09 0.00 0.00 178.44 178.70 3ag3 h THR 32 N 0.40 1.25 0.38 0.00 2.02 -0.05 0.17 112.91 117.08 3ag3 h THR 32 Ca 0.08 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3ag3 h THR 32 Cb 0.46 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ag3 h THR 32 CO 0.03 0.34 -0.18 0.25 0.37 0.00 0.00 175.52 176.32 3ag3 h LEU 33 N 0.71 -0.43 -0.56 2.58 7.12 -0.90 -0.31 115.31 123.51 3ag3 h LEU 33 Ca 0.15 -0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.22 3ag3 h LEU 33 Cb 0.41 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.55 3ag3 h LEU 33 CO 0.01 -0.22 -0.11 -1.13 -0.13 0.00 0.00 178.44 176.86 3ag3 h ASN 34 N -0.63 -0.47 -0.08 1.25 -0.00 -0.80 -2.35 115.58 112.50 3ag3 h ASN 34 Ca -0.05 0.16 -0.00 0.00 -0.00 0.00 0.00 56.30 56.41 3ag3 h ASN 34 Cb 0.46 0.33 -0.00 0.00 -0.00 0.00 0.00 38.32 39.11 3ag3 h ASN 34 CO 0.09 -0.17 0.05 0.28 -0.00 0.00 0.00 177.43 177.67 3ag3 h SER 35 N 0.02 0.10 -1.09 1.15 0.02 -0.54 -2.13 113.55 111.09 3ag3 h SER 35 Ca 0.27 -0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.65 3ag3 h SER 35 Cb 0.42 -0.02 -0.17 0.00 0.14 0.00 0.00 62.40 62.77 3ag3 h SER 35 CO -0.56 0.13 0.54 0.79 -1.14 0.00 0.00 176.83 176.59 3ag3 n TRP 36 N -5.00 1.68 0.00 3.45 5.03 -0.14 -1.83 117.44 120.63 3ag3 n TRP 36 Ca -0.06 -2.01 0.00 0.00 3.03 0.00 0.00 57.50 58.47 3ag3 n TRP 36 Cb 0.06 -1.41 0.00 0.00 -1.03 0.00 0.00 31.31 28.93 3ag3 n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3ag3 n LEU 37 N 0.92 0.00 -1.58 -0.99 0.00 -1.22 -4.75 117.00 109.38 3ag3 n LEU 37 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 56.40 3ag3 n LEU 37 Cb 0.53 0.13 0.08 0.00 0.00 0.00 0.00 43.42 44.15 3ag3 n LEU 37 CO 0.36 -0.13 0.88 1.41 0.00 0.00 0.00 177.39 179.91 3ag3 n HIS 38 N -1.62 1.42 -0.16 1.96 8.25 -0.76 -4.91 115.22 119.40 3ag3 n HIS 38 Ca 0.00 -1.17 0.00 0.00 -0.26 0.00 0.00 57.72 56.29 3ag3 n HIS 38 Cb 0.00 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.52 3ag3 n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ag3 n SER 39 N -0.22 0.00 -0.58 0.41 3.41 -0.84 -5.02 113.62 110.78 3ag3 n SER 39 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3ag3 n SER 39 Cb 1.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 3ag3 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag3 n GLY 40 N 5.00 -3.70 3.67 5.00 0.00 -1.26 -4.90 105.19 109.00 3ag3 n GLY 40 Ca 0.00 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 3ag3 n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ag3 n HIS 41 N 0.08 2.30 -3.31 1.61 8.25 -1.26 -5.00 115.22 117.89 3ag3 n HIS 41 Ca 0.00 0.20 -0.29 0.00 -0.26 0.00 0.00 57.72 57.38 3ag3 n HIS 41 Cb 0.00 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 28.51 3ag3 n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3ag3 s ARG 42 N 1.55 3.64 -0.15 -0.41 0.52 -1.26 -5.02 118.95 117.82 3ag3 s ARG 42 Ca 0.81 0.04 -0.29 0.00 -0.52 0.00 0.00 55.73 55.77 3ag3 s ARG 42 Cb -0.67 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3ag3 s ARG 42 CO 0.40 0.20 1.71 -2.00 0.02 0.00 0.00 175.30 175.63 3ag3 s GLU 43 N -3.56 3.88 0.39 3.54 -6.30 -1.26 -4.96 118.70 110.43 3ag3 s GLU 43 Ca 0.44 1.93 -0.27 0.00 -2.50 0.00 0.00 54.97 54.57 3ag3 s GLU 43 Cb -0.11 -4.06 -0.10 0.00 0.00 0.00 0.00 34.13 29.86 3ag3 s GLU 43 CO 0.30 -1.20 1.45 -0.98 0.02 0.00 0.00 175.26 174.84 3ag3 s ARG 44 N 4.61 4.03 0.56 4.30 1.70 -1.26 -5.00 118.95 127.88 3ag3 s ARG 44 Ca 0.76 2.48 -0.14 0.00 -0.47 0.00 0.00 55.73 58.36 3ag3 s ARG 44 Cb -0.30 -2.90 -0.06 0.00 -0.57 0.00 0.00 34.95 31.13 3ag3 s ARG 44 CO 0.31 -0.57 1.00 -1.25 -1.08 0.00 0.00 175.30 173.72 3ag3 s PRO 45 N -2.16 3.80 0.34 3.89 0.04 -1.26 -4.98 135.00 134.67 3ag3 s PRO 45 Ca 0.54 0.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 3ag3 s PRO 45 Cb -0.45 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.85 3ag3 s PRO 45 CO 0.60 -0.40 1.06 0.00 0.04 0.00 0.00 177.00 178.30 3ag3 n ALA 46 N -2.05 0.21 -2.33 8.56 0.00 -1.26 -4.92 120.51 118.73 3ag3 n ALA 46 Ca 0.06 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 3ag3 n ALA 46 Cb 0.54 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 3ag3 n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ag3 s PHE 47 N -1.14 3.79 -0.05 0.00 2.19 -1.26 -5.04 117.98 116.46 3ag3 s PHE 47 Ca 0.59 1.74 -0.01 0.00 0.33 0.00 0.00 56.93 59.58 3ag3 s PHE 47 Cb -0.63 -3.02 0.03 0.00 -1.31 0.00 0.00 43.02 38.09 3ag3 s PHE 47 CO 0.59 0.20 0.01 0.42 1.83 0.00 0.00 175.22 178.27 3ag3 s ILE 48 N 0.07 0.23 -1.26 3.12 1.01 -1.26 -5.06 121.20 118.06 3ag3 s ILE 48 Ca 0.46 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.16 3ag3 s ILE 48 Cb -0.23 -0.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.77 3ag3 s ILE 48 CO 0.28 0.20 2.81 -0.81 0.00 0.00 0.00 174.94 177.42 3ag3 n PRO 49 N 4.68 3.09 -1.72 2.79 -0.04 -1.26 -4.94 135.00 137.60 3ag3 n PRO 49 Ca -0.15 -1.86 -0.43 0.00 -0.04 0.00 0.00 63.50 61.02 3ag3 n PRO 49 Cb 0.50 -2.61 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 3ag3 n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ag3 n TYR 50 N 3.60 2.56 1.01 0.54 4.01 -1.26 -4.90 117.16 122.72 3ag3 n TYR 50 Ca 0.66 0.40 0.14 0.00 -0.16 0.00 0.00 57.90 58.94 3ag3 n TYR 50 Cb 0.28 -2.51 0.53 0.00 -0.31 0.00 0.00 39.34 37.34 3ag3 n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ag3 n HIS 51 N 1.36 0.00 1.41 -0.72 8.25 -1.26 -2.87 115.22 121.40 3ag3 n HIS 51 Ca 0.07 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.67 3ag3 n HIS 51 Cb 0.36 -0.43 0.47 0.00 1.12 0.00 0.00 29.99 31.50 3ag3 n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3ag3 n HIS 52 N -1.49 0.00 -4.53 4.41 1.44 -1.26 -4.87 115.22 108.92 3ag3 n HIS 52 Ca 0.07 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.53 3ag3 n HIS 52 Cb 0.34 -0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.31 3ag3 n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3ag3 s LEU 53 N -2.13 2.70 -1.35 2.39 1.43 -1.14 -4.78 118.68 115.81 3ag3 s LEU 53 Ca 0.34 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.23 3ag3 s LEU 53 Cb 0.21 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 3ag3 s LEU 53 CO 0.38 -0.22 0.54 0.54 0.23 0.00 0.00 176.35 177.83 3ag3 n ARG 54 N -0.76 -3.59 -2.43 1.70 3.00 -1.26 -4.87 116.66 108.44 3ag3 n ARG 54 Ca -0.05 0.48 -0.41 0.00 -0.01 0.00 0.00 57.85 57.86 3ag3 n ARG 54 Cb 0.63 -4.70 -0.04 0.00 0.00 0.00 0.00 32.46 28.36 3ag3 n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ag3 s ILE 55 N -3.82 3.62 -0.34 0.55 -1.09 -1.26 -4.73 121.20 114.14 3ag3 s ILE 55 Ca 0.05 1.44 -0.01 0.00 -2.23 0.00 0.00 60.65 59.89 3ag3 s ILE 55 Cb -0.02 -3.92 0.12 0.00 -1.58 0.00 0.00 42.46 37.06 3ag3 s ILE 55 CO 0.86 0.26 0.17 -0.13 -1.23 0.00 0.00 174.94 174.87 3ag3 s ARG 56 N -0.58 0.56 -0.01 2.79 1.81 -1.26 -4.94 118.95 117.32 3ag3 s ARG 56 Ca 0.50 -1.11 0.19 0.00 -1.72 0.00 0.00 55.73 53.59 3ag3 s ARG 56 Cb -0.32 -1.53 -0.25 0.00 -0.45 0.00 0.00 34.95 32.41 3ag3 s ARG 56 CO 0.37 -1.10 0.62 0.25 -0.68 0.00 0.00 175.30 174.76 3ag3 n THR 57 N 4.52 0.00 -3.74 0.02 -2.24 -1.26 -4.96 114.28 106.63 3ag3 n THR 57 Ca 0.03 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3ag3 n THR 57 Cb 0.39 0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 69.09 3ag3 n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ag3 s LYS 58 N -3.02 0.61 0.58 -0.78 2.20 -1.26 -5.14 119.74 112.93 3ag3 s LYS 58 Ca 0.00 0.11 -0.19 0.00 -0.36 0.00 0.00 55.97 55.54 3ag3 s LYS 58 Cb 0.13 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 3ag3 s LYS 58 CO 0.78 -0.14 1.16 -2.14 -0.36 0.00 0.00 175.35 174.65 3ag3 s PRO 59 N -0.73 3.10 0.69 4.03 0.02 -1.26 -4.97 135.00 135.87 3ag3 s PRO 59 Ca -0.08 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 62.46 3ag3 s PRO 59 Cb -0.04 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3ag3 s PRO 59 CO 0.03 -1.07 1.20 -0.06 -0.33 0.00 0.00 177.00 176.77 3ag3 s PHE 60 N -1.77 2.21 -0.17 6.54 0.40 0.22 -4.89 117.98 120.52 3ag3 s PHE 60 Ca 0.74 1.57 0.01 0.00 -0.60 0.00 0.00 56.93 58.65 3ag3 s PHE 60 Cb -0.26 -3.44 0.12 0.00 0.51 0.00 0.00 43.02 39.95 3ag3 s PHE 60 CO 0.32 -2.41 1.11 0.43 0.70 0.00 0.00 175.22 175.37 3ag3 n SER 61 N -2.39 2.98 -3.70 1.36 7.64 -1.26 -4.04 113.62 114.21 3ag3 n SER 61 Ca 0.13 -2.27 -0.10 0.00 1.01 0.00 0.00 58.87 57.64 3ag3 n SER 61 Cb 0.50 -0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 63.11 3ag3 n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3ag3 s TRP 62 N -0.67 -0.17 0.00 1.43 -2.14 -1.26 -5.05 118.94 111.09 3ag3 s TRP 62 Ca 0.10 -0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.70 3ag3 s TRP 62 Cb 0.08 0.42 0.00 0.00 -3.10 0.00 0.00 33.47 30.87 3ag3 s TRP 62 CO 0.02 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.81 3ag3 n GLY 63 N -0.34 3.06 0.78 3.67 0.00 -1.26 -1.65 105.19 109.45 3ag3 n GLY 63 Ca -0.11 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3ag3 n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ag3 n ASP 64 N 1.79 2.28 0.00 1.61 5.68 -1.26 -4.89 116.55 121.77 3ag3 n ASP 64 Ca 0.00 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3ag3 n ASP 64 Cb 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 3ag3 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ag3 n GLY 65 N 1.20 1.47 0.00 6.12 0.00 -0.66 -4.83 105.19 108.49 3ag3 n GLY 65 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ag3 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ag3 n ASN 66 N 0.00 0.95 -4.50 1.61 5.15 -1.26 -0.61 115.26 116.61 3ag3 n ASN 66 Ca 0.00 -1.24 -0.34 0.00 -0.60 0.00 0.00 54.58 52.41 3ag3 n ASN 66 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 3ag3 n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3ag3 s HIS 67 N -0.24 2.93 0.96 1.20 3.76 -1.26 -4.89 115.29 117.76 3ag3 s HIS 67 Ca 0.00 -0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 54.53 3ag3 s HIS 67 Cb 0.00 -1.83 0.17 0.00 1.11 0.00 0.00 32.58 32.03 3ag3 s HIS 67 CO 0.00 0.06 1.09 0.95 -0.85 0.00 0.00 174.74 175.99 3ag3 s THR 68 N -0.09 2.33 0.26 1.30 -4.23 -1.26 -4.93 115.64 109.02 3ag3 s THR 68 Ca 0.00 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3ag3 s THR 68 Cb -0.13 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.23 3ag3 s THR 68 CO 0.03 -0.14 1.71 0.15 -0.54 0.00 0.00 174.62 175.83 3ag3 h PHE 69 N -1.80 0.74 -0.98 3.99 3.04 -2.00 -2.53 116.94 117.40 3ag3 h PHE 69 Ca -0.53 -0.14 -0.59 0.00 3.98 0.00 0.00 57.97 60.70 3ag3 h PHE 69 Cb 1.31 -0.19 -0.40 0.00 2.56 0.00 0.00 35.95 39.23 3ag3 h PHE 69 CO 0.35 0.79 -0.44 1.19 -2.02 0.00 0.00 178.31 178.18 3ag3 n PHE 70 N -4.15 2.96 -1.66 0.41 0.99 -1.26 -5.05 117.46 109.69 3ag3 n PHE 70 Ca 0.01 -2.51 -0.48 0.00 -0.00 0.00 0.00 57.45 54.46 3ag3 n PHE 70 Cb 0.38 -0.52 -0.05 0.00 -1.00 0.00 0.00 39.48 38.29 3ag3 n PHE 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 3ag3 n HIS 71 N -0.70 2.15 -3.92 1.38 -0.00 -0.96 -4.98 115.22 108.20 3ag3 n HIS 71 Ca 0.47 0.27 -0.34 0.00 0.46 0.00 0.00 57.72 58.57 3ag3 n HIS 71 Cb 0.83 -2.54 -0.14 0.00 -0.12 0.00 0.00 29.99 28.03 3ag3 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3ag3 s ASN 72 N 1.95 4.88 0.57 0.26 3.84 -1.26 -5.02 114.94 120.16 3ag3 s ASN 72 Ca 0.85 -1.54 0.27 0.00 0.21 0.00 0.00 52.86 52.64 3ag3 s ASN 72 Cb -0.76 -1.70 1.54 0.00 -0.55 0.00 0.00 41.25 39.79 3ag3 s ASN 72 CO 0.45 -0.32 2.07 -0.65 -2.79 0.00 0.00 177.10 175.86 3ag3 h PRO 73 N 7.93 0.00 -0.48 0.43 0.11 -1.94 0.21 132.00 138.25 3ag3 h PRO 73 Ca -0.17 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.85 3ag3 h PRO 73 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3ag3 h PRO 73 CO 0.55 0.00 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.20 3ag3 h ARG 74 N 0.00 0.84 0.00 1.05 2.43 -1.95 -3.37 114.38 113.38 3ag3 h ARG 74 Ca 0.12 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3ag3 h ARG 74 Cb 0.61 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3ag3 h ARG 74 CO -0.00 0.88 0.00 1.33 -1.51 0.00 0.00 179.97 180.67 3ag3 n VAL 75 N -4.18 0.00 -3.69 0.20 0.24 -0.47 -4.93 118.33 105.50 3ag3 n VAL 75 Ca 0.02 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.34 61.58 3ag3 n VAL 75 Cb 0.34 1.12 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 3ag3 n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3ag3 s ASN 76 N -0.41 5.43 0.56 -1.34 0.01 -0.06 -5.03 114.94 114.09 3ag3 s ASN 76 Ca 0.00 -1.90 -0.18 0.00 -0.71 0.00 0.00 52.86 50.07 3ag3 s ASN 76 Cb 0.00 -1.90 -0.05 0.00 0.41 0.00 0.00 41.25 39.71 3ag3 s ASN 76 CO 0.00 -0.58 1.07 -2.16 -1.51 0.00 0.00 177.10 173.92 3ag3 s PRO 77 N 1.25 3.42 0.96 -0.60 0.04 -1.26 -4.71 135.00 134.10 3ag3 s PRO 77 Ca 0.06 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 3ag3 s PRO 77 Cb -0.24 -2.04 0.17 0.00 0.04 0.00 0.00 34.50 32.43 3ag3 s PRO 77 CO -0.02 -0.75 1.15 -0.51 0.04 0.00 0.00 177.00 176.91 3ag3 s LEU 78 N -4.06 1.86 0.42 -3.56 1.43 0.18 -4.87 118.68 110.08 3ag3 s LEU 78 Ca 0.67 0.87 0.20 0.00 -1.03 0.00 0.00 54.13 54.84 3ag3 s LEU 78 Cb -0.18 -3.07 1.15 0.00 0.03 0.00 0.00 46.19 44.11 3ag3 s LEU 78 CO 0.30 -2.84 1.80 -0.65 0.23 0.00 0.00 176.35 175.19 3ag3 h PRO 79 N -1.70 0.34 -0.28 1.29 0.11 -1.90 0.27 132.00 130.13 3ag3 h PRO 79 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ag3 h PRO 79 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ag3 h PRO 79 CO 0.56 0.23 0.00 0.25 -0.21 0.00 0.00 178.00 178.82 3ag3 n THR 80 N -4.54 0.36 0.00 -1.15 -2.24 -1.26 -4.86 114.28 100.60 3ag3 n THR 80 Ca 0.23 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ag3 n THR 80 Cb 0.86 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3ag3 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag3 n GLY 81 N 1.21 -0.27 3.76 3.38 0.00 0.08 -5.06 105.19 108.30 3ag3 n GLY 81 Ca 0.16 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 3ag3 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag3 s TYR 82 N -0.56 2.63 0.45 1.61 2.02 -1.26 -0.64 117.35 121.60 3ag3 s TYR 82 Ca 0.00 1.48 -0.22 0.00 -0.37 0.00 0.00 57.07 57.96 3ag3 s TYR 82 Cb 0.00 -3.53 -0.09 0.00 -0.40 0.00 0.00 41.96 37.94 3ag3 s TYR 82 CO 0.00 -2.04 1.03 -1.21 -1.57 0.00 0.00 175.55 171.77 3ag3 s GLU 83 N -2.83 3.95 0.00 -0.62 2.02 -1.26 -4.90 118.70 115.07 3ag3 s GLU 83 Ca 0.67 1.39 0.00 0.00 0.02 0.00 0.00 54.97 57.05 3ag3 s GLU 83 Cb -0.33 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3ag3 s GLU 83 CO 0.39 -0.30 0.29 1.63 0.02 0.00 0.00 175.26 177.28