#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n SER 2 N 0.00 0.62 0.00 0.00 7.64 -1.26 -5.06 113.62 115.56 3abk n SER 2 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3abk n SER 2 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3abk n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3abk n ALA 3 N -1.74 0.00 0.00 -0.43 0.00 -1.26 -4.56 120.51 112.53 3abk n ALA 3 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3abk n ALA 3 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3abk n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3abk n ALA 4 N 0.00 0.00 -3.00 0.00 0.00 -1.26 -5.15 120.51 111.10 3abk n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abk n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3abk n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abk n LYS 5 N 0.00 3.16 0.00 0.00 5.02 -1.26 -5.16 118.16 119.92 3abk n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3abk n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3abk n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abk n GLY 6 N 3.95 -0.92 2.04 0.72 0.00 -1.26 -5.08 105.19 104.63 3abk n GLY 6 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3abk n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3abk n ASP 7 N -0.93 0.00 0.00 1.61 -0.08 -1.26 -4.84 116.55 111.05 3abk n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3abk n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3abk n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3abk n HIS 8 N 0.00 0.00 -0.37 -0.67 8.25 -1.26 -4.41 115.22 116.76 3abk n HIS 8 Ca 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 57.72 57.79 3abk n HIS 8 Cb 0.00 0.00 0.60 0.00 1.12 0.00 0.00 29.99 31.71 3abk n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3abk h GLY 9 N 0.00 1.88 0.00 -1.41 0.00 -2.07 -3.51 103.07 97.95 3abk h GLY 9 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3abk h GLY 9 CO 0.00 -0.61 0.00 0.61 0.00 0.00 0.00 176.54 176.54 3abk n GLY 10 N -1.37 -0.77 0.00 4.60 0.00 -1.26 -5.28 105.19 101.11 3abk n GLY 10 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3abk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abk n GLY 12 N 0.00 0.94 0.36 -0.02 0.00 -1.26 -4.79 105.19 100.43 3abk n GLY 12 Ca 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 3abk n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abk h ALA 13 N 0.00 1.37 -0.58 4.61 0.00 -2.05 -1.46 119.26 121.16 3abk h ALA 13 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3abk h ALA 13 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3abk h ALA 13 CO 0.00 0.58 0.22 -0.09 0.00 0.00 0.00 179.25 179.95 3abk h ARG 14 N 1.17 0.87 -0.41 0.00 2.43 -1.99 0.55 114.38 117.00 3abk h ARG 14 Ca 0.31 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3abk h ARG 14 Cb -0.12 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3abk h ARG 14 CO -0.07 0.76 0.15 1.15 -1.51 0.00 0.00 179.97 180.45 3abk h THR 15 N 0.80 1.21 -0.15 0.20 2.02 -1.76 -0.92 112.91 114.30 3abk h THR 15 Ca 0.19 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 3abk h THR 15 Cb 0.23 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3abk h THR 15 CO -0.01 0.24 -0.43 -0.50 0.37 0.00 0.00 175.52 175.19 3abk h TRP 16 N 0.53 0.43 -0.41 3.16 4.06 -0.87 -0.47 115.95 122.38 3abk h TRP 16 Ca 0.14 -0.13 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3abk h TRP 16 Cb 0.23 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3abk h TRP 16 CO 0.01 0.74 0.00 -0.09 -3.56 0.00 0.00 178.44 175.54 3abk h ARG 17 N 0.30 0.72 -0.47 0.49 2.43 -0.76 -0.91 114.38 116.18 3abk h ARG 17 Ca 0.02 -0.23 0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3abk h ARG 17 Cb 0.89 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 3abk h ARG 17 CO 0.07 0.80 -0.04 0.35 -1.51 0.00 0.00 179.97 179.64 3abk h PHE 18 N 0.55 -0.11 -0.87 2.20 -0.00 -0.83 -1.30 116.94 116.57 3abk h PHE 18 Ca 0.12 0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 58.11 3abk h PHE 18 Cb 0.48 0.12 -0.04 0.00 -0.00 0.00 0.00 35.95 36.51 3abk h PHE 18 CO 0.04 -0.14 0.48 -0.07 -0.00 0.00 0.00 178.31 178.62 3abk h LEU 19 N 0.07 1.09 -0.22 0.59 3.38 -0.95 0.16 115.31 119.43 3abk h LEU 19 Ca 0.23 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3abk h LEU 19 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3abk h LEU 19 CO -0.43 0.87 0.13 0.74 0.09 0.00 0.00 178.44 179.85 3abk h THR 20 N 1.22 1.04 0.00 0.22 2.02 -0.28 -0.48 112.91 116.64 3abk h THR 20 Ca 0.31 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.30 3abk h THR 20 Cb 0.02 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3abk h THR 20 CO -0.05 0.05 -1.55 0.49 0.37 0.00 0.00 175.52 174.83 3abk n PHE 21 N -4.95 0.62 0.01 3.16 0.99 -0.58 0.17 117.46 116.88 3abk n PHE 21 Ca -0.03 0.19 0.10 0.00 -0.00 0.00 0.00 57.45 57.72 3abk n PHE 21 Cb 0.03 -0.89 -0.13 0.00 -1.00 0.00 0.00 39.48 37.49 3abk n PHE 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3abk n GLY 22 N 1.33 -1.11 1.18 1.37 0.00 0.55 -4.34 105.19 104.17 3abk n GLY 22 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3abk n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3abk n LEU 23 N -2.39 0.33 0.14 0.99 7.94 -0.66 -4.80 117.00 118.55 3abk n LEU 23 Ca -0.04 0.07 -0.12 0.00 -1.11 0.00 0.00 56.01 54.81 3abk n LEU 23 Cb 0.60 -0.08 -0.07 0.00 0.53 0.00 0.00 43.42 44.40 3abk n LEU 23 CO 0.44 -0.33 0.43 0.00 -1.11 0.00 0.00 177.39 176.82 3abk h ALA 24 N 0.00 -0.40 -0.55 1.96 0.00 -1.12 -1.00 119.26 118.15 3abk h ALA 24 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3abk h ALA 24 Cb 0.53 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3abk h ALA 24 CO 0.00 -0.48 -0.09 -0.07 0.00 0.00 0.00 179.25 178.61 3abk h LEU 25 N -0.89 1.03 -0.82 0.00 3.38 -0.50 -2.07 115.31 115.43 3abk h LEU 25 Ca -0.04 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 57.72 3abk h LEU 25 Cb 0.52 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3abk h LEU 25 CO 0.07 1.13 0.41 -0.65 0.09 0.00 0.00 178.44 179.48 3abk h PRO 26 N 0.91 0.59 -0.34 1.13 0.11 -1.75 -1.06 132.00 131.58 3abk h PRO 26 Ca 0.14 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.28 3abk h PRO 26 Cb 0.66 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.58 3abk h PRO 26 CO 0.05 0.39 0.02 0.77 -0.21 0.00 0.00 178.00 179.01 3abk h SER 27 N 0.60 -0.10 -0.89 -2.05 0.02 -0.85 -1.20 113.55 109.07 3abk h SER 27 Ca 0.44 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.50 3abk h SER 27 Cb 0.60 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3abk h SER 27 CO -0.35 -0.02 0.58 0.58 -1.14 0.00 0.00 176.83 176.48 3abk h VAL 28 N 0.12 1.13 -0.34 2.27 2.07 -0.83 -0.89 116.25 119.77 3abk h VAL 28 Ca 0.17 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3abk h VAL 28 Cb 0.22 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3abk h VAL 28 CO -0.26 0.20 0.11 0.00 0.02 0.00 0.00 177.57 177.64 3abk h ALA 29 N 1.38 0.44 -0.15 1.67 0.00 -0.98 0.90 119.26 122.51 3abk h ALA 29 Ca 0.36 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3abk h ALA 29 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3abk h ALA 29 CO -0.13 0.08 -0.01 -0.07 0.00 0.00 0.00 179.25 179.12 3abk h LEU 30 N 0.40 -0.07 -1.03 0.00 3.38 -0.95 -1.15 115.31 115.89 3abk h LEU 30 Ca 0.11 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3abk h LEU 30 Cb 0.24 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3abk h LEU 30 CO -0.00 -0.01 -0.43 0.00 0.09 0.00 0.00 178.44 178.08 3abk h THR 32 N 0.10 1.10 0.00 0.00 2.02 -0.54 -0.24 112.91 115.35 3abk h THR 32 Ca 0.01 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3abk h THR 32 Cb 0.80 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3abk h THR 32 CO 0.06 0.08 0.00 -0.11 0.37 0.00 0.00 175.52 175.92 3abk n LEU 33 N -5.03 0.00 -0.35 2.58 -0.00 -0.46 -1.29 117.00 112.45 3abk n LEU 33 Ca -0.07 0.89 0.16 0.00 -0.00 0.00 0.00 56.01 56.99 3abk n LEU 33 Cb 0.09 -0.39 0.37 0.00 -0.00 0.00 0.00 43.42 43.49 3abk n LEU 33 CO 0.33 -0.39 1.17 -1.13 -0.00 0.00 0.00 177.39 177.37 3abk h ASN 34 N 0.00 0.70 -0.17 1.96 -0.73 -1.04 -1.57 115.58 114.73 3abk h ASN 34 Ca 0.00 0.13 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 3abk h ASN 34 Cb 0.00 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.60 3abk h ASN 34 CO 0.00 0.15 -0.18 0.28 -0.37 0.00 0.00 177.43 177.31 3abk h SER 35 N 0.63 0.45 -2.26 1.15 0.02 -0.90 -2.42 113.55 110.23 3abk h SER 35 Ca 0.63 -0.49 -0.81 0.00 -0.84 0.00 0.00 61.79 60.28 3abk h SER 35 Cb 1.13 -0.13 -0.27 0.00 0.14 0.00 0.00 62.40 63.28 3abk h SER 35 CO -0.45 0.85 1.04 0.79 -1.14 0.00 0.00 176.83 177.92 3abk n TRP 36 N -4.49 2.75 0.00 3.45 5.03 -0.41 -1.90 117.44 121.87 3abk n TRP 36 Ca -0.06 -2.56 0.00 0.00 3.03 0.00 0.00 57.50 57.91 3abk n TRP 36 Cb 0.39 -1.21 0.00 0.00 -1.03 0.00 0.00 31.31 29.46 3abk n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3abk n LEU 37 N -0.01 0.00 -0.65 -0.99 0.00 -1.25 -4.81 117.00 109.30 3abk n LEU 37 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.51 3abk n LEU 37 Cb 0.26 0.02 0.12 0.00 0.00 0.00 0.00 43.42 43.83 3abk n LEU 37 CO 0.53 -0.02 0.55 1.41 0.00 0.00 0.00 177.39 179.86 3abk n HIS 38 N -1.27 0.47 -1.12 1.96 8.25 -0.88 -4.93 115.22 117.71 3abk n HIS 38 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3abk n HIS 38 Cb 0.00 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.03 3abk n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3abk n SER 39 N 0.24 0.00 -0.06 0.41 3.41 -0.80 -5.03 113.62 111.80 3abk n SER 39 Ca 0.09 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 3abk n SER 39 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3abk n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abk n GLY 40 N 5.00 -0.56 3.44 5.00 0.00 -1.26 -4.94 105.19 111.87 3abk n GLY 40 Ca 0.00 -1.16 -0.51 0.00 0.00 0.00 0.00 46.02 44.36 3abk n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abk n HIS 41 N 1.54 1.60 -2.36 1.61 8.25 -1.26 -4.97 115.22 119.63 3abk n HIS 41 Ca 0.00 0.27 -0.36 0.00 -0.26 0.00 0.00 57.72 57.37 3abk n HIS 41 Cb 0.00 -2.53 -0.02 0.00 1.12 0.00 0.00 29.99 28.56 3abk n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3abk s ARG 42 N 6.22 3.74 0.03 -0.41 0.52 -1.26 -4.99 118.95 122.80 3abk s ARG 42 Ca 1.09 1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 57.61 3abk s ARG 42 Cb -0.85 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 3abk s ARG 42 CO 0.49 -0.53 1.07 -2.00 0.02 0.00 0.00 175.30 174.35 3abk s GLU 43 N -2.90 4.51 0.51 3.54 -6.30 -1.26 -5.00 118.70 111.80 3abk s GLU 43 Ca 0.65 1.57 -0.20 0.00 -2.50 0.00 0.00 54.97 54.50 3abk s GLU 43 Cb -0.24 -3.41 -0.08 0.00 0.00 0.00 0.00 34.13 30.41 3abk s GLU 43 CO 0.29 -0.12 1.06 -0.98 0.02 0.00 0.00 175.26 175.53 3abk s ARG 44 N 0.96 3.67 0.44 4.30 1.70 -1.26 -5.02 118.95 123.74 3abk s ARG 44 Ca 0.54 1.40 -0.08 0.00 -0.47 0.00 0.00 55.73 57.12 3abk s ARG 44 Cb -0.25 -2.07 -0.05 0.00 -0.57 0.00 0.00 34.95 32.01 3abk s ARG 44 CO 0.29 -0.55 0.78 -1.25 -1.08 0.00 0.00 175.30 173.49 3abk s PRO 45 N -3.32 3.66 0.09 3.89 0.05 -1.26 -4.97 135.00 133.13 3abk s PRO 45 Ca 0.68 0.34 -0.37 0.00 0.05 0.00 0.00 61.00 61.70 3abk s PRO 45 Cb -0.18 -2.38 -0.17 0.00 0.05 0.00 0.00 34.50 31.82 3abk s PRO 45 CO 0.23 -0.13 1.31 0.00 0.05 0.00 0.00 177.00 178.46 3abk n ALA 46 N -1.78 -1.15 -1.95 8.56 0.00 -1.26 -4.90 120.51 118.03 3abk n ALA 46 Ca 0.02 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 3abk n ALA 46 Cb 0.54 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 3abk n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3abk s PHE 47 N 0.40 3.09 -0.06 0.00 2.19 -1.26 -5.03 117.98 117.31 3abk s PHE 47 Ca 0.84 0.91 -0.01 0.00 0.33 0.00 0.00 56.93 59.00 3abk s PHE 47 Cb -0.97 -3.81 0.03 0.00 -1.31 0.00 0.00 43.02 36.96 3abk s PHE 47 CO 0.48 -2.78 0.01 0.42 1.83 0.00 0.00 175.22 175.17 3abk s ILE 48 N 0.51 0.32 -1.48 3.12 1.01 -1.26 -5.06 121.20 118.37 3abk s ILE 48 Ca 0.63 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.33 3abk s ILE 48 Cb -0.41 -0.48 -0.08 0.00 0.01 0.00 0.00 42.46 41.50 3abk s ILE 48 CO 0.37 0.24 2.79 -0.81 0.00 0.00 0.00 174.94 177.53 3abk n PRO 49 N 5.03 3.36 -1.68 2.79 -0.04 -1.26 -4.93 135.00 138.27 3abk n PRO 49 Ca -0.09 -2.04 -0.43 0.00 -0.04 0.00 0.00 63.50 60.90 3abk n PRO 49 Cb 0.50 -2.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.23 3abk n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3abk n TYR 50 N 3.71 2.13 1.03 0.54 4.01 -1.26 -4.89 117.16 122.43 3abk n TYR 50 Ca 0.72 0.57 0.13 0.00 -0.16 0.00 0.00 57.90 59.15 3abk n TYR 50 Cb 0.21 -2.39 0.40 0.00 -0.31 0.00 0.00 39.34 37.25 3abk n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3abk n HIS 51 N 0.26 0.00 1.05 -0.72 8.25 -1.26 -2.94 115.22 119.86 3abk n HIS 51 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 3abk n HIS 51 Cb 0.36 -0.32 0.34 0.00 1.12 0.00 0.00 29.99 31.48 3abk n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3abk n HIS 52 N -1.44 0.25 -4.29 4.41 1.44 -1.26 -4.88 115.22 109.46 3abk n HIS 52 Ca 0.07 -0.13 -0.16 0.00 -2.01 0.00 0.00 57.72 55.49 3abk n HIS 52 Cb 0.33 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.34 3abk n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3abk s LEU 53 N -1.57 2.41 -1.26 2.39 1.43 -1.15 -4.77 118.68 116.16 3abk s LEU 53 Ca 0.33 -1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 3abk s LEU 53 Cb 0.19 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 46.07 3abk s LEU 53 CO 0.28 -0.39 0.96 0.54 0.23 0.00 0.00 176.35 177.97 3abk n ARG 54 N -0.29 -6.61 -1.88 1.70 3.00 -1.26 -4.85 116.66 106.47 3abk n ARG 54 Ca -0.08 0.76 -0.41 0.00 -0.01 0.00 0.00 57.85 58.11 3abk n ARG 54 Cb 0.62 -5.52 -0.01 0.00 0.00 0.00 0.00 32.46 27.54 3abk n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3abk s ILE 55 N -3.25 2.24 -0.32 0.55 -1.09 -1.26 -4.71 121.20 113.35 3abk s ILE 55 Ca 0.48 0.23 -0.02 0.00 -2.23 0.00 0.00 60.65 59.10 3abk s ILE 55 Cb -0.21 -3.15 0.12 0.00 -1.58 0.00 0.00 42.46 37.64 3abk s ILE 55 CO 0.59 0.05 0.16 -0.13 -1.23 0.00 0.00 174.94 174.38 3abk s ARG 56 N -1.64 0.37 0.01 2.79 1.81 -1.26 -4.93 118.95 116.10 3abk s ARG 56 Ca 0.54 -0.90 0.22 0.00 -1.72 0.00 0.00 55.73 53.87 3abk s ARG 56 Cb -0.45 -1.26 -0.19 0.00 -0.45 0.00 0.00 34.95 32.60 3abk s ARG 56 CO 0.57 -1.10 0.76 0.25 -0.68 0.00 0.00 175.30 175.10 3abk n THR 57 N 4.70 0.07 -3.69 0.02 -2.24 -1.26 -4.98 114.28 106.91 3abk n THR 57 Ca 0.02 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3abk n THR 57 Cb 0.40 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 3abk n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3abk s LYS 58 N -3.29 0.73 0.47 -0.78 2.20 -1.26 -5.14 119.74 112.67 3abk s LYS 58 Ca -0.00 0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.51 3abk s LYS 58 Cb 0.14 0.34 -0.07 0.00 -1.51 0.00 0.00 37.83 36.73 3abk s LYS 58 CO 0.87 -0.19 1.26 -2.14 -0.36 0.00 0.00 175.35 174.79 3abk s PRO 59 N -0.88 3.62 0.67 4.03 0.02 -1.26 -4.96 135.00 136.24 3abk s PRO 59 Ca -0.09 2.02 -0.15 0.00 0.02 0.00 0.00 61.00 62.79 3abk s PRO 59 Cb -0.03 -2.45 0.01 0.00 0.02 0.00 0.00 34.50 32.04 3abk s PRO 59 CO 0.05 -0.73 1.15 -0.06 -0.33 0.00 0.00 177.00 177.07 3abk s PHE 60 N -1.40 2.42 -0.07 6.54 0.40 0.43 -4.88 117.98 121.43 3abk s PHE 60 Ca 0.64 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 58.54 3abk s PHE 60 Cb -0.35 -3.29 0.07 0.00 0.51 0.00 0.00 43.02 39.97 3abk s PHE 60 CO 0.42 -2.00 1.49 0.43 0.70 0.00 0.00 175.22 176.26 3abk n SER 61 N -2.42 4.16 -3.87 1.36 7.64 -1.26 -4.11 113.62 115.12 3abk n SER 61 Ca 0.12 -2.36 -0.08 0.00 1.01 0.00 0.00 58.87 57.55 3abk n SER 61 Cb 0.51 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 3abk n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3abk s TRP 62 N -0.45 -0.06 0.00 1.43 -2.14 -1.26 -5.05 118.94 111.41 3abk s TRP 62 Ca 0.08 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.48 3abk s TRP 62 Cb 0.06 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.98 3abk s TRP 62 CO 0.01 -1.14 0.00 0.41 -2.66 0.00 0.00 176.95 173.57 3abk n GLY 63 N -0.43 2.49 0.83 3.67 0.00 -1.26 -1.07 105.19 109.42 3abk n GLY 63 Ca -0.04 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3abk n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3abk n ASP 64 N 0.97 2.41 0.00 1.61 5.68 -1.26 -4.88 116.55 121.08 3abk n ASP 64 Ca 0.00 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3abk n ASP 64 Cb 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 3abk n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3abk n GLY 65 N 1.23 1.91 0.00 6.12 0.00 -0.23 -4.82 105.19 109.40 3abk n GLY 65 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3abk n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3abk n ASN 66 N 0.00 1.28 -4.39 1.61 5.15 -1.26 -0.43 115.26 117.21 3abk n ASN 66 Ca 0.00 -1.44 -0.33 0.00 -0.60 0.00 0.00 54.58 52.21 3abk n ASN 66 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 3abk n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3abk s HIS 67 N -0.44 2.75 0.90 1.20 3.76 -1.26 -4.88 115.29 117.33 3abk s HIS 67 Ca 0.00 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.29 3abk s HIS 67 Cb 0.00 -1.76 0.14 0.00 1.11 0.00 0.00 32.58 32.06 3abk s HIS 67 CO 0.00 -0.09 1.10 0.95 -0.85 0.00 0.00 174.74 175.85 3abk s THR 68 N -0.01 2.56 0.29 1.30 -4.23 -1.26 -4.92 115.64 109.37 3abk s THR 68 Ca -0.04 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3abk s THR 68 Cb -0.14 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.38 3abk s THR 68 CO 0.04 -0.24 1.82 0.15 -0.54 0.00 0.00 174.62 175.85 3abk h PHE 69 N -1.69 0.76 -0.65 3.99 3.04 -2.00 -2.21 116.94 118.18 3abk h PHE 69 Ca -0.47 -0.08 -0.44 0.00 3.98 0.00 0.00 57.97 60.95 3abk h PHE 69 Cb 1.27 -0.22 -0.28 0.00 2.56 0.00 0.00 35.95 39.28 3abk h PHE 69 CO 0.47 0.68 -0.21 1.19 -2.02 0.00 0.00 178.31 178.42 3abk n PHE 70 N -4.26 2.23 -1.59 0.41 3.01 -1.26 -5.06 117.46 110.95 3abk n PHE 70 Ca 0.03 -2.18 -0.57 0.00 1.01 0.00 0.00 57.45 55.74 3abk n PHE 70 Cb 0.25 -0.63 -0.07 0.00 -0.01 0.00 0.00 39.48 39.03 3abk n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3abk n HIS 71 N -0.90 1.28 -4.03 1.38 -0.00 -0.83 -4.97 115.22 107.15 3abk n HIS 71 Ca 0.44 0.83 -0.32 0.00 0.46 0.00 0.00 57.72 59.13 3abk n HIS 71 Cb 0.92 -2.25 -0.15 0.00 -0.12 0.00 0.00 29.99 28.39 3abk n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3abk s ASN 72 N 0.89 4.66 0.57 0.26 3.84 -1.26 -5.01 114.94 118.89 3abk s ASN 72 Ca 0.90 -1.80 0.29 0.00 0.21 0.00 0.00 52.86 52.46 3abk s ASN 72 Cb -1.13 -1.61 1.46 0.00 -0.55 0.00 0.00 41.25 39.42 3abk s ASN 72 CO 0.56 -0.30 1.88 -0.65 -2.79 0.00 0.00 177.10 175.80 3abk h PRO 73 N 7.71 0.00 -0.27 0.43 0.11 -1.93 0.61 132.00 138.66 3abk h PRO 73 Ca -0.11 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.85 3abk h PRO 73 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3abk h PRO 73 CO 0.50 0.00 -0.45 -0.09 -0.21 0.00 0.00 178.00 177.75 3abk h ARG 74 N 0.00 0.69 0.00 1.05 1.12 -1.95 -3.38 114.38 111.90 3abk h ARG 74 Ca 0.28 -0.38 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 3abk h ARG 74 Cb 1.36 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.35 3abk h ARG 74 CO -0.00 0.99 0.00 1.33 -3.11 0.00 0.00 179.97 179.18 3abk n VAL 75 N -4.02 0.00 -3.69 0.20 0.24 -0.42 -4.93 118.33 105.72 3abk n VAL 75 Ca -0.02 -0.39 -0.38 0.00 -2.04 0.00 0.00 64.34 61.51 3abk n VAL 75 Cb 0.56 1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.83 3abk n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3abk s ASN 76 N -0.76 5.42 0.50 -1.34 0.01 0.08 -5.03 114.94 113.82 3abk s ASN 76 Ca 0.00 -2.21 -0.21 0.00 -0.71 0.00 0.00 52.86 49.72 3abk s ASN 76 Cb 0.00 -1.90 -0.07 0.00 0.41 0.00 0.00 41.25 39.70 3abk s ASN 76 CO 0.00 -0.55 1.15 -2.16 -1.51 0.00 0.00 177.10 174.03 3abk s PRO 77 N 0.89 3.59 0.87 -0.60 0.04 -1.26 -4.66 135.00 133.87 3abk s PRO 77 Ca 0.10 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 3abk s PRO 77 Cb -0.23 -2.23 0.11 0.00 0.04 0.00 0.00 34.50 32.20 3abk s PRO 77 CO -0.03 -0.68 1.12 -0.51 0.04 0.00 0.00 177.00 176.94 3abk s LEU 78 N -3.37 2.22 0.37 -3.56 1.43 -0.67 -4.85 118.68 110.24 3abk s LEU 78 Ca 0.68 1.10 0.13 0.00 -1.03 0.00 0.00 54.13 55.01 3abk s LEU 78 Cb -0.26 -3.53 0.96 0.00 0.03 0.00 0.00 46.19 43.39 3abk s LEU 78 CO 0.31 -2.35 1.79 -0.65 0.23 0.00 0.00 176.35 175.68 3abk h PRO 79 N -1.36 0.52 -0.03 1.29 0.11 -1.90 0.24 132.00 130.87 3abk h PRO 79 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3abk h PRO 79 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3abk h PRO 79 CO 0.61 0.34 0.00 0.25 -0.21 0.00 0.00 178.00 178.99 3abk n THR 80 N -4.66 0.04 0.00 -1.15 -2.24 -1.26 -4.86 114.28 100.16 3abk n THR 80 Ca 0.23 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3abk n THR 80 Cb 0.72 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3abk n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3abk n GLY 81 N 0.82 -2.20 3.77 3.38 0.00 0.84 -5.05 105.19 106.75 3abk n GLY 81 Ca 0.13 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3abk n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3abk s TYR 82 N -0.74 2.74 0.44 1.61 2.02 -1.26 -1.67 117.35 120.49 3abk s TYR 82 Ca 0.00 1.50 -0.24 0.00 -0.37 0.00 0.00 57.07 57.96 3abk s TYR 82 Cb 0.00 -3.47 -0.08 0.00 -0.40 0.00 0.00 41.96 38.01 3abk s TYR 82 CO 0.00 -1.82 1.18 -1.21 -1.57 0.00 0.00 175.55 172.13 3abk s GLU 83 N -2.76 3.84 0.00 -0.62 2.02 -1.26 -4.89 118.70 115.03 3abk s GLU 83 Ca 0.66 1.82 0.07 0.00 0.02 0.00 0.00 54.97 57.54 3abk s GLU 83 Cb -0.31 -2.50 0.41 0.00 0.10 0.00 0.00 34.13 31.83 3abk s GLU 83 CO 0.37 -0.49 0.87 1.63 0.02 0.00 0.00 175.26 177.66